 vasp.6.1.0 28Jan20 (build Jun 11 2020 16:13:15) complex                        
  
 executed on             LinuxIFC date 2021.04.16  00:08:23
 running on    4 total cores
 distrk:  each k-point on    4 cores,    1 groups
 distr:  one band on NCORE=   1 cores,    4 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:    PAW_PBE Li 17Jan2003                  
 POTCAR:    PAW_PBE Al 04Jan2001                  
 POTCAR:    PAW_PBE Li 17Jan2003                  
   SHA256 =  3d9d9bfd1dd25b20a3b919cb3191e6ef627605783dc2e149b9290ff31c32aa6e Li/POTCAR             
   COPYR  = (c) Copyright 17Jan2003 Georg Kresse                                                    
   COPYR  = This file is part of the software VASP. Any use, copying, and all other rights are regul
   COPYR  = If you do not have a valid VASP license, you may not use, copy or distribute this file. 
   VRHFIN =Li: s1p0                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =     5.3001 eV,    0.3895 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Li 17Jan2003                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =    7.010; ZVAL   =    1.000    mass and valenz                                          
   RCORE  =    2.050    outmost cutoff radius                                                       
   RWIGS  =    2.600; RWIGS  =    1.376    wigner-seitz radius (au A)                               
   ENMAX  =  140.000; ENMIN  =  100.000 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  331.638                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    2.098    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    2.094    radius for radial grids                                                     
   RDEPT  =    1.810    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    4 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50       -51.8549   2.0000                                                             
     2  0  0.50        -2.8742   1.0000                                                             
     2  1  0.50        -1.3606   0.0000                                                             
     3  2  1.50        -1.3606   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0     -2.8742052     23  2.050                                                                 
     0     27.2116520     23  2.050                                                                 
     1     -1.3605826     23  2.050                                                                 
     2     -1.3605826     23  2.050                                                                 
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 POTCAR:    PAW_PBE Al 04Jan2001                  
   SHA256 =  17880443556af62b473fe41b62a467bd001ad55d2cabe504a3f22e34d4e9db96 Al/POTCAR             
   COPYR  = (c) Copyright 04Jan2001 Georg Kresse                                                    
   COPYR  = This file is part of the software VASP. Any use, copying, and all other rights are regul
   COPYR  = If you do not have a valid VASP license, you may not use, copy or distribute this file. 
   VRHFIN =Al: s2p1                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =    53.5387 eV,    3.9350 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Al 04Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   26.981; ZVAL   =    3.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)                               
   ENMAX  =  240.300; ENMIN  =  180.225 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  291.052                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    1.939    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.966    radius for radial grids                                                     
   RDEPT  =    1.856    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    6 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50     -1511.1048   2.0000                                                             
     2  0  0.50      -108.1629   2.0000                                                             
     2  1  1.50       -69.6402   6.0000                                                             
     3  0  0.50        -7.7528   2.0000                                                             
     3  1  1.50        -2.7121   1.0000                                                             
     3  2  2.50        -2.7212   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0     -7.7528455     23  1.900                                                                 
     0     -3.3096929     23  1.900                                                                 
     1     -2.7120682     23  1.900                                                                 
     1     13.6058260     23  1.900                                                                 
     2     -2.7211652      7  1.900                                                                 
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
  PAW_PBE Li 17Jan2003                  :
 energy of atom  1       EATOM=   -5.3001
 kinetic energy error for atom=    0.0000 (will be added to EATOM!!)
  PAW_PBE Al 04Jan2001                  :
 energy of atom  2       EATOM=  -53.5387
 kinetic energy error for atom=    0.0002 (will be added to EATOM!!)
 
 
 POSCAR: Li1 Al3
  positions in direct lattice
  velocities in cartesian coordinates
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 2.85   3 2.85   3 2.85   2 2.85   2 2.85   3 2.85   3 2.85   2 2.85
                             4 2.85   4 2.85   4 2.85   4 2.85
   2  0.500  0.500  0.000-   1 2.85   4 2.85   4 2.85   1 2.85   1 2.85   4 2.85   4 2.85   1 2.85
                             3 2.85   3 2.85   3 2.85   3 2.85
   3  0.500  0.000  0.500-   1 2.85   4 2.85   1 2.85   4 2.85   1 2.85   4 2.85   1 2.85   4 2.85
                             2 2.85   2 2.85   2 2.85   2 2.85
   4  0.000  0.500  0.500-   2 2.85   3 2.85   2 2.85   3 2.85   2 2.85   3 2.85   2 2.85   3 2.85
                             1 2.85   1 2.85   1 2.85   1 2.85
 
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof 16 operations are pure point group operations),
 and found     1 'primitive' translations


----------------------------------------------------------------------------------------

                                     Primitive cell                                     

  volume of cell :      65.2748

  direct lattice vectors                    reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166

  position of ions in fractional coordinates (direct lattice)
     0.000000000  0.000000000  0.000000000
     0.500000000  0.500000000  0.000000000
     0.500000000  0.000000000  0.500000000
     0.000000000  0.500000000  0.500000000

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4

----------------------------------------------------------------------------------------

 
 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    9     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   10    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   11     1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   13     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   14    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   15     1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   16    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    196 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      4.000000
  0.076923  0.076923  0.000000      8.000000
  0.153846  0.076923  0.000000      8.000000
  0.230769  0.076923  0.000000      8.000000
  0.307692  0.076923  0.000000      8.000000
  0.384615  0.076923  0.000000      8.000000
  0.461538  0.076923  0.000000      8.000000
  0.000000  0.153846  0.000000      4.000000
  0.076923  0.153846  0.000000      8.000000
  0.153846  0.153846  0.000000      8.000000
  0.230769  0.153846  0.000000      8.000000
  0.307692  0.153846  0.000000      8.000000
  0.384615  0.153846  0.000000      8.000000
  0.461538  0.153846  0.000000      8.000000
  0.000000  0.230769  0.000000      4.000000
  0.076923  0.230769  0.000000      8.000000
  0.153846  0.230769  0.000000      8.000000
  0.230769  0.230769  0.000000      8.000000
  0.307692  0.230769  0.000000      8.000000
  0.384615  0.230769  0.000000      8.000000
  0.461538  0.230769  0.000000      8.000000
  0.000000  0.307692  0.000000      4.000000
  0.076923  0.307692  0.000000      8.000000
  0.153846  0.307692  0.000000      8.000000
  0.230769  0.307692  0.000000      8.000000
  0.307692  0.307692  0.000000      8.000000
  0.384615  0.307692  0.000000      8.000000
  0.461538  0.307692  0.000000      8.000000
  0.000000  0.384615  0.000000      4.000000
  0.076923  0.384615  0.000000      8.000000
  0.153846  0.384615  0.000000      8.000000
  0.230769  0.384615  0.000000      8.000000
  0.307692  0.384615  0.000000      8.000000
  0.384615  0.384615  0.000000      8.000000
  0.461538  0.384615  0.000000      8.000000
  0.000000  0.461538  0.000000      4.000000
  0.076923  0.461538  0.000000      8.000000
  0.153846  0.461538  0.000000      8.000000
  0.230769  0.461538  0.000000      8.000000
  0.307692  0.461538  0.000000      8.000000
  0.384615  0.461538  0.000000      8.000000
  0.461538  0.461538  0.000000      8.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      8.000000
  0.076923  0.153846  0.076923     16.000000
  0.153846  0.153846  0.076923     16.000000
  0.230769  0.153846  0.076923     16.000000
  0.307692  0.153846  0.076923     16.000000
  0.384615  0.153846  0.076923     16.000000
  0.461538  0.153846  0.076923     16.000000
  0.000000  0.230769  0.076923      8.000000
  0.076923  0.230769  0.076923     16.000000
  0.153846  0.230769  0.076923     16.000000
  0.230769  0.230769  0.076923     16.000000
  0.307692  0.230769  0.076923     16.000000
  0.384615  0.230769  0.076923     16.000000
  0.461538  0.230769  0.076923     16.000000
  0.000000  0.307692  0.076923      8.000000
  0.076923  0.307692  0.076923     16.000000
  0.153846  0.307692  0.076923     16.000000
  0.230769  0.307692  0.076923     16.000000
  0.307692  0.307692  0.076923     16.000000
  0.384615  0.307692  0.076923     16.000000
  0.461538  0.307692  0.076923     16.000000
  0.000000  0.384615  0.076923      8.000000
  0.076923  0.384615  0.076923     16.000000
  0.153846  0.384615  0.076923     16.000000
  0.230769  0.384615  0.076923     16.000000
  0.307692  0.384615  0.076923     16.000000
  0.384615  0.384615  0.076923     16.000000
  0.461538  0.384615  0.076923     16.000000
  0.000000  0.461538  0.076923      8.000000
  0.076923  0.461538  0.076923     16.000000
  0.153846  0.461538  0.076923     16.000000
  0.230769  0.461538  0.076923     16.000000
  0.307692  0.461538  0.076923     16.000000
  0.384615  0.461538  0.076923     16.000000
  0.461538  0.461538  0.076923     16.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      8.000000
  0.076923  0.230769  0.153846     16.000000
  0.153846  0.230769  0.153846     16.000000
  0.230769  0.230769  0.153846     16.000000
  0.307692  0.230769  0.153846     16.000000
  0.384615  0.230769  0.153846     16.000000
  0.461538  0.230769  0.153846     16.000000
  0.000000  0.307692  0.153846      8.000000
  0.076923  0.307692  0.153846     16.000000
  0.153846  0.307692  0.153846     16.000000
  0.230769  0.307692  0.153846     16.000000
  0.307692  0.307692  0.153846     16.000000
  0.384615  0.307692  0.153846     16.000000
  0.461538  0.307692  0.153846     16.000000
  0.000000  0.384615  0.153846      8.000000
  0.076923  0.384615  0.153846     16.000000
  0.153846  0.384615  0.153846     16.000000
  0.230769  0.384615  0.153846     16.000000
  0.307692  0.384615  0.153846     16.000000
  0.384615  0.384615  0.153846     16.000000
  0.461538  0.384615  0.153846     16.000000
  0.000000  0.461538  0.153846      8.000000
  0.076923  0.461538  0.153846     16.000000
  0.153846  0.461538  0.153846     16.000000
  0.230769  0.461538  0.153846     16.000000
  0.307692  0.461538  0.153846     16.000000
  0.384615  0.461538  0.153846     16.000000
  0.461538  0.461538  0.153846     16.000000
  0.000000  0.230769  0.230769      4.000000
  0.076923  0.230769  0.230769      8.000000
  0.153846  0.230769  0.230769      8.000000
  0.230769  0.230769  0.230769      8.000000
  0.307692  0.230769  0.230769      8.000000
  0.384615  0.230769  0.230769      8.000000
  0.461538  0.230769  0.230769      8.000000
  0.000000  0.307692  0.230769      8.000000
  0.076923  0.307692  0.230769     16.000000
  0.153846  0.307692  0.230769     16.000000
  0.230769  0.307692  0.230769     16.000000
  0.307692  0.307692  0.230769     16.000000
  0.384615  0.307692  0.230769     16.000000
  0.461538  0.307692  0.230769     16.000000
  0.000000  0.384615  0.230769      8.000000
  0.076923  0.384615  0.230769     16.000000
  0.153846  0.384615  0.230769     16.000000
  0.230769  0.384615  0.230769     16.000000
  0.307692  0.384615  0.230769     16.000000
  0.384615  0.384615  0.230769     16.000000
  0.461538  0.384615  0.230769     16.000000
  0.000000  0.461538  0.230769      8.000000
  0.076923  0.461538  0.230769     16.000000
  0.153846  0.461538  0.230769     16.000000
  0.230769  0.461538  0.230769     16.000000
  0.307692  0.461538  0.230769     16.000000
  0.384615  0.461538  0.230769     16.000000
  0.461538  0.461538  0.230769     16.000000
  0.000000  0.307692  0.307692      4.000000
  0.076923  0.307692  0.307692      8.000000
  0.153846  0.307692  0.307692      8.000000
  0.230769  0.307692  0.307692      8.000000
  0.307692  0.307692  0.307692      8.000000
  0.384615  0.307692  0.307692      8.000000
  0.461538  0.307692  0.307692      8.000000
  0.000000  0.384615  0.307692      8.000000
  0.076923  0.384615  0.307692     16.000000
  0.153846  0.384615  0.307692     16.000000
  0.230769  0.384615  0.307692     16.000000
  0.307692  0.384615  0.307692     16.000000
  0.384615  0.384615  0.307692     16.000000
  0.461538  0.384615  0.307692     16.000000
  0.000000  0.461538  0.307692      8.000000
  0.076923  0.461538  0.307692     16.000000
  0.153846  0.461538  0.307692     16.000000
  0.230769  0.461538  0.307692     16.000000
  0.307692  0.461538  0.307692     16.000000
  0.384615  0.461538  0.307692     16.000000
  0.461538  0.461538  0.307692     16.000000
  0.000000  0.384615  0.384615      4.000000
  0.076923  0.384615  0.384615      8.000000
  0.153846  0.384615  0.384615      8.000000
  0.230769  0.384615  0.384615      8.000000
  0.307692  0.384615  0.384615      8.000000
  0.384615  0.384615  0.384615      8.000000
  0.461538  0.384615  0.384615      8.000000
  0.000000  0.461538  0.384615      8.000000
  0.076923  0.461538  0.384615     16.000000
  0.153846  0.461538  0.384615     16.000000
  0.230769  0.461538  0.384615     16.000000
  0.307692  0.461538  0.384615     16.000000
  0.384615  0.461538  0.384615     16.000000
  0.461538  0.461538  0.384615     16.000000
  0.000000  0.461538  0.461538      4.000000
  0.076923  0.461538  0.461538      8.000000
  0.153846  0.461538  0.461538      8.000000
  0.230769  0.461538  0.461538      8.000000
  0.307692  0.461538  0.461538      8.000000
  0.384615  0.461538  0.461538      8.000000
  0.461538  0.461538  0.461538      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.019109  0.000000  0.000000      2.000000
  0.038218  0.000000  0.000000      2.000000
  0.057327  0.000000  0.000000      2.000000
  0.076436  0.000000  0.000000      2.000000
  0.095545  0.000000  0.000000      2.000000
  0.114654  0.000000  0.000000      2.000000
  0.000000  0.019103  0.000000      4.000000
  0.019109  0.019103  0.000000      8.000000
  0.038218  0.019103  0.000000      8.000000
  0.057327  0.019103  0.000000      8.000000
  0.076436  0.019103  0.000000      8.000000
  0.095545  0.019103  0.000000      8.000000
  0.114654  0.019103  0.000000      8.000000
  0.000000  0.038205  0.000000      4.000000
  0.019109  0.038205  0.000000      8.000000
  0.038218  0.038205  0.000000      8.000000
  0.057327  0.038205  0.000000      8.000000
  0.076436  0.038205  0.000000      8.000000
  0.095545  0.038205  0.000000      8.000000
  0.114654  0.038205  0.000000      8.000000
  0.000000  0.057308  0.000000      4.000000
  0.019109  0.057308  0.000000      8.000000
  0.038218  0.057308  0.000000      8.000000
  0.057327  0.057308  0.000000      8.000000
  0.076436  0.057308  0.000000      8.000000
  0.095545  0.057308  0.000000      8.000000
  0.114654  0.057308  0.000000      8.000000
  0.000000  0.076411  0.000000      4.000000
  0.019109  0.076411  0.000000      8.000000
  0.038218  0.076411  0.000000      8.000000
  0.057327  0.076411  0.000000      8.000000
  0.076436  0.076411  0.000000      8.000000
  0.095545  0.076411  0.000000      8.000000
  0.114654  0.076411  0.000000      8.000000
  0.000000  0.095513  0.000000      4.000000
  0.019109  0.095513  0.000000      8.000000
  0.038218  0.095513  0.000000      8.000000
  0.057327  0.095513  0.000000      8.000000
  0.076436  0.095513  0.000000      8.000000
  0.095545  0.095513  0.000000      8.000000
  0.114654  0.095513  0.000000      8.000000
  0.000000  0.114616  0.000000      4.000000
  0.019109  0.114616  0.000000      8.000000
  0.038218  0.114616  0.000000      8.000000
  0.057327  0.114616  0.000000      8.000000
  0.076436  0.114616  0.000000      8.000000
  0.095545  0.114616  0.000000      8.000000
  0.114654  0.114616  0.000000      8.000000
  0.000000  0.019103  0.019103      4.000000
  0.019109  0.019103  0.019103      8.000000
  0.038218  0.019103  0.019103      8.000000
  0.057327  0.019103  0.019103      8.000000
  0.076436  0.019103  0.019103      8.000000
  0.095545  0.019103  0.019103      8.000000
  0.114654  0.019103  0.019103      8.000000
  0.000000  0.038205  0.019103      8.000000
  0.019109  0.038205  0.019103     16.000000
  0.038218  0.038205  0.019103     16.000000
  0.057327  0.038205  0.019103     16.000000
  0.076436  0.038205  0.019103     16.000000
  0.095545  0.038205  0.019103     16.000000
  0.114654  0.038205  0.019103     16.000000
  0.000000  0.057308  0.019103      8.000000
  0.019109  0.057308  0.019103     16.000000
  0.038218  0.057308  0.019103     16.000000
  0.057327  0.057308  0.019103     16.000000
  0.076436  0.057308  0.019103     16.000000
  0.095545  0.057308  0.019103     16.000000
  0.114654  0.057308  0.019103     16.000000
  0.000000  0.076411  0.019103      8.000000
  0.019109  0.076411  0.019103     16.000000
  0.038218  0.076411  0.019103     16.000000
  0.057327  0.076411  0.019103     16.000000
  0.076436  0.076411  0.019103     16.000000
  0.095545  0.076411  0.019103     16.000000
  0.114654  0.076411  0.019103     16.000000
  0.000000  0.095513  0.019103      8.000000
  0.019109  0.095513  0.019103     16.000000
  0.038218  0.095513  0.019103     16.000000
  0.057327  0.095513  0.019103     16.000000
  0.076436  0.095513  0.019103     16.000000
  0.095545  0.095513  0.019103     16.000000
  0.114654  0.095513  0.019103     16.000000
  0.000000  0.114616  0.019103      8.000000
  0.019109  0.114616  0.019103     16.000000
  0.038218  0.114616  0.019103     16.000000
  0.057327  0.114616  0.019103     16.000000
  0.076436  0.114616  0.019103     16.000000
  0.095545  0.114616  0.019103     16.000000
  0.114654  0.114616  0.019103     16.000000
  0.000000  0.038205  0.038205      4.000000
  0.019109  0.038205  0.038205      8.000000
  0.038218  0.038205  0.038205      8.000000
  0.057327  0.038205  0.038205      8.000000
  0.076436  0.038205  0.038205      8.000000
  0.095545  0.038205  0.038205      8.000000
  0.114654  0.038205  0.038205      8.000000
  0.000000  0.057308  0.038205      8.000000
  0.019109  0.057308  0.038205     16.000000
  0.038218  0.057308  0.038205     16.000000
  0.057327  0.057308  0.038205     16.000000
  0.076436  0.057308  0.038205     16.000000
  0.095545  0.057308  0.038205     16.000000
  0.114654  0.057308  0.038205     16.000000
  0.000000  0.076411  0.038205      8.000000
  0.019109  0.076411  0.038205     16.000000
  0.038218  0.076411  0.038205     16.000000
  0.057327  0.076411  0.038205     16.000000
  0.076436  0.076411  0.038205     16.000000
  0.095545  0.076411  0.038205     16.000000
  0.114654  0.076411  0.038205     16.000000
  0.000000  0.095513  0.038205      8.000000
  0.019109  0.095513  0.038205     16.000000
  0.038218  0.095513  0.038205     16.000000
  0.057327  0.095513  0.038205     16.000000
  0.076436  0.095513  0.038205     16.000000
  0.095545  0.095513  0.038205     16.000000
  0.114654  0.095513  0.038205     16.000000
  0.000000  0.114616  0.038205      8.000000
  0.019109  0.114616  0.038205     16.000000
  0.038218  0.114616  0.038205     16.000000
  0.057327  0.114616  0.038205     16.000000
  0.076436  0.114616  0.038205     16.000000
  0.095545  0.114616  0.038205     16.000000
  0.114654  0.114616  0.038205     16.000000
  0.000000  0.057308  0.057308      4.000000
  0.019109  0.057308  0.057308      8.000000
  0.038218  0.057308  0.057308      8.000000
  0.057327  0.057308  0.057308      8.000000
  0.076436  0.057308  0.057308      8.000000
  0.095545  0.057308  0.057308      8.000000
  0.114654  0.057308  0.057308      8.000000
  0.000000  0.076411  0.057308      8.000000
  0.019109  0.076411  0.057308     16.000000
  0.038218  0.076411  0.057308     16.000000
  0.057327  0.076411  0.057308     16.000000
  0.076436  0.076411  0.057308     16.000000
  0.095545  0.076411  0.057308     16.000000
  0.114654  0.076411  0.057308     16.000000
  0.000000  0.095513  0.057308      8.000000
  0.019109  0.095513  0.057308     16.000000
  0.038218  0.095513  0.057308     16.000000
  0.057327  0.095513  0.057308     16.000000
  0.076436  0.095513  0.057308     16.000000
  0.095545  0.095513  0.057308     16.000000
  0.114654  0.095513  0.057308     16.000000
  0.000000  0.114616  0.057308      8.000000
  0.019109  0.114616  0.057308     16.000000
  0.038218  0.114616  0.057308     16.000000
  0.057327  0.114616  0.057308     16.000000
  0.076436  0.114616  0.057308     16.000000
  0.095545  0.114616  0.057308     16.000000
  0.114654  0.114616  0.057308     16.000000
  0.000000  0.076411  0.076411      4.000000
  0.019109  0.076411  0.076411      8.000000
  0.038218  0.076411  0.076411      8.000000
  0.057327  0.076411  0.076411      8.000000
  0.076436  0.076411  0.076411      8.000000
  0.095545  0.076411  0.076411      8.000000
  0.114654  0.076411  0.076411      8.000000
  0.000000  0.095513  0.076411      8.000000
  0.019109  0.095513  0.076411     16.000000
  0.038218  0.095513  0.076411     16.000000
  0.057327  0.095513  0.076411     16.000000
  0.076436  0.095513  0.076411     16.000000
  0.095545  0.095513  0.076411     16.000000
  0.114654  0.095513  0.076411     16.000000
  0.000000  0.114616  0.076411      8.000000
  0.019109  0.114616  0.076411     16.000000
  0.038218  0.114616  0.076411     16.000000
  0.057327  0.114616  0.076411     16.000000
  0.076436  0.114616  0.076411     16.000000
  0.095545  0.114616  0.076411     16.000000
  0.114654  0.114616  0.076411     16.000000
  0.000000  0.095513  0.095513      4.000000
  0.019109  0.095513  0.095513      8.000000
  0.038218  0.095513  0.095513      8.000000
  0.057327  0.095513  0.095513      8.000000
  0.076436  0.095513  0.095513      8.000000
  0.095545  0.095513  0.095513      8.000000
  0.114654  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      8.000000
  0.019109  0.114616  0.095513     16.000000
  0.038218  0.114616  0.095513     16.000000
  0.057327  0.114616  0.095513     16.000000
  0.076436  0.114616  0.095513     16.000000
  0.095545  0.114616  0.095513     16.000000
  0.114654  0.114616  0.095513     16.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.114616      8.000000
  0.038218  0.114616  0.114616      8.000000
  0.057327  0.114616  0.114616      8.000000
  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found   2197 k-points in 1st BZ
 the following   2197 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00045517   1 t-inv F
  0.076923  0.000000  0.000000    0.00045517   2 t-inv F
  0.153846  0.000000  0.000000    0.00045517   3 t-inv F
  0.230769  0.000000  0.000000    0.00045517   4 t-inv F
  0.307692  0.000000  0.000000    0.00045517   5 t-inv F
  0.384615  0.000000  0.000000    0.00045517   6 t-inv F
  0.461538  0.000000  0.000000    0.00045517   7 t-inv F
  0.000000  0.076923  0.000000    0.00045517   8 t-inv F
  0.076923  0.076923  0.000000    0.00045517   9 t-inv F
  0.153846  0.076923  0.000000    0.00045517  10 t-inv F
  0.230769  0.076923  0.000000    0.00045517  11 t-inv F
  0.307692  0.076923  0.000000    0.00045517  12 t-inv F
  0.384615  0.076923  0.000000    0.00045517  13 t-inv F
  0.461538  0.076923  0.000000    0.00045517  14 t-inv F
  0.000000  0.153846  0.000000    0.00045517  15 t-inv F
  0.076923  0.153846  0.000000    0.00045517  16 t-inv F
  0.153846  0.153846  0.000000    0.00045517  17 t-inv F
  0.230769  0.153846  0.000000    0.00045517  18 t-inv F
  0.307692  0.153846  0.000000    0.00045517  19 t-inv F
  0.384615  0.153846  0.000000    0.00045517  20 t-inv F
  0.461538  0.153846  0.000000    0.00045517  21 t-inv F
  0.000000  0.230769  0.000000    0.00045517  22 t-inv F
  0.076923  0.230769  0.000000    0.00045517  23 t-inv F
  0.153846  0.230769  0.000000    0.00045517  24 t-inv F
  0.230769  0.230769  0.000000    0.00045517  25 t-inv F
  0.307692  0.230769  0.000000    0.00045517  26 t-inv F
  0.384615  0.230769  0.000000    0.00045517  27 t-inv F
  0.461538  0.230769  0.000000    0.00045517  28 t-inv F
  0.000000  0.307692  0.000000    0.00045517  29 t-inv F
  0.076923  0.307692  0.000000    0.00045517  30 t-inv F
  0.153846  0.307692  0.000000    0.00045517  31 t-inv F
  0.230769  0.307692  0.000000    0.00045517  32 t-inv F
  0.307692  0.307692  0.000000    0.00045517  33 t-inv F
  0.384615  0.307692  0.000000    0.00045517  34 t-inv F
  0.461538  0.307692  0.000000    0.00045517  35 t-inv F
  0.000000  0.384615  0.000000    0.00045517  36 t-inv F
  0.076923  0.384615  0.000000    0.00045517  37 t-inv F
  0.153846  0.384615  0.000000    0.00045517  38 t-inv F
  0.230769  0.384615  0.000000    0.00045517  39 t-inv F
  0.307692  0.384615  0.000000    0.00045517  40 t-inv F
  0.384615  0.384615  0.000000    0.00045517  41 t-inv F
  0.461538  0.384615  0.000000    0.00045517  42 t-inv F
  0.000000  0.461538  0.000000    0.00045517  43 t-inv F
  0.076923  0.461538  0.000000    0.00045517  44 t-inv F
  0.153846  0.461538  0.000000    0.00045517  45 t-inv F
  0.230769  0.461538  0.000000    0.00045517  46 t-inv F
  0.307692  0.461538  0.000000    0.00045517  47 t-inv F
  0.384615  0.461538  0.000000    0.00045517  48 t-inv F
  0.461538  0.461538  0.000000    0.00045517  49 t-inv F
  0.000000  0.076923  0.076923    0.00045517  50 t-inv F
  0.076923  0.076923  0.076923    0.00045517  51 t-inv F
  0.153846  0.076923  0.076923    0.00045517  52 t-inv F
  0.230769  0.076923  0.076923    0.00045517  53 t-inv F
  0.307692  0.076923  0.076923    0.00045517  54 t-inv F
  0.384615  0.076923  0.076923    0.00045517  55 t-inv F
  0.461538  0.076923  0.076923    0.00045517  56 t-inv F
  0.000000  0.153846  0.076923    0.00045517  57 t-inv F
  0.076923  0.153846  0.076923    0.00045517  58 t-inv F
  0.153846  0.153846  0.076923    0.00045517  59 t-inv F
  0.230769  0.153846  0.076923    0.00045517  60 t-inv F
  0.307692  0.153846  0.076923    0.00045517  61 t-inv F
  0.384615  0.153846  0.076923    0.00045517  62 t-inv F
  0.461538  0.153846  0.076923    0.00045517  63 t-inv F
  0.000000  0.230769  0.076923    0.00045517  64 t-inv F
  0.076923  0.230769  0.076923    0.00045517  65 t-inv F
  0.153846  0.230769  0.076923    0.00045517  66 t-inv F
  0.230769  0.230769  0.076923    0.00045517  67 t-inv F
  0.307692  0.230769  0.076923    0.00045517  68 t-inv F
  0.384615  0.230769  0.076923    0.00045517  69 t-inv F
  0.461538  0.230769  0.076923    0.00045517  70 t-inv F
  0.000000  0.307692  0.076923    0.00045517  71 t-inv F
  0.076923  0.307692  0.076923    0.00045517  72 t-inv F
  0.153846  0.307692  0.076923    0.00045517  73 t-inv F
  0.230769  0.307692  0.076923    0.00045517  74 t-inv F
  0.307692  0.307692  0.076923    0.00045517  75 t-inv F
  0.384615  0.307692  0.076923    0.00045517  76 t-inv F
  0.461538  0.307692  0.076923    0.00045517  77 t-inv F
  0.000000  0.384615  0.076923    0.00045517  78 t-inv F
  0.076923  0.384615  0.076923    0.00045517  79 t-inv F
  0.153846  0.384615  0.076923    0.00045517  80 t-inv F
  0.230769  0.384615  0.076923    0.00045517  81 t-inv F
  0.307692  0.384615  0.076923    0.00045517  82 t-inv F
  0.384615  0.384615  0.076923    0.00045517  83 t-inv F
  0.461538  0.384615  0.076923    0.00045517  84 t-inv F
  0.000000  0.461538  0.076923    0.00045517  85 t-inv F
  0.076923  0.461538  0.076923    0.00045517  86 t-inv F
  0.153846  0.461538  0.076923    0.00045517  87 t-inv F
  0.230769  0.461538  0.076923    0.00045517  88 t-inv F
  0.307692  0.461538  0.076923    0.00045517  89 t-inv F
  0.384615  0.461538  0.076923    0.00045517  90 t-inv F
  0.461538  0.461538  0.076923    0.00045517  91 t-inv F
  0.000000  0.153846  0.153846    0.00045517  92 t-inv F
  0.076923  0.153846  0.153846    0.00045517  93 t-inv F
  0.153846  0.153846  0.153846    0.00045517  94 t-inv F
  0.230769  0.153846  0.153846    0.00045517  95 t-inv F
  0.307692  0.153846  0.153846    0.00045517  96 t-inv F
  0.384615  0.153846  0.153846    0.00045517  97 t-inv F
  0.461538  0.153846  0.153846    0.00045517  98 t-inv F
  0.000000  0.230769  0.153846    0.00045517  99 t-inv F
  0.076923  0.230769  0.153846    0.00045517 100 t-inv F
  0.153846  0.230769  0.153846    0.00045517 101 t-inv F
  0.230769  0.230769  0.153846    0.00045517 102 t-inv F
  0.307692  0.230769  0.153846    0.00045517 103 t-inv F
  0.384615  0.230769  0.153846    0.00045517 104 t-inv F
  0.461538  0.230769  0.153846    0.00045517 105 t-inv F
  0.000000  0.307692  0.153846    0.00045517 106 t-inv F
  0.076923  0.307692  0.153846    0.00045517 107 t-inv F
  0.153846  0.307692  0.153846    0.00045517 108 t-inv F
  0.230769  0.307692  0.153846    0.00045517 109 t-inv F
  0.307692  0.307692  0.153846    0.00045517 110 t-inv F
  0.384615  0.307692  0.153846    0.00045517 111 t-inv F
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    196   k-points in BZ     NKDIM =    196   number of bands    NBANDS=     12
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  13824
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   8441
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   24
   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=   48
   support grid    NGXF=    48 NGYF=   48 NGZF=   48
   ions per type =               1   3
   NGX,Y,Z   is equivalent  to a cutoff of   9.91,  9.91,  9.91 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  19.82, 19.82, 19.82 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  Li1 Al3                                 

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = normal    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  520.0 eV  38.22 Ry    6.18 a.u.   7.48  7.49  7.49*2*pi/ulx,y,z
   ENINI  =  520.0     initial cutoff
   ENAUG  =  331.6 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000
 Ionic relaxation
   EDIFFG = -.1E-07   stopping-criterion for IOM
   NSW    =     85    number of steps for IOM
   NBLOCK =      1;   KBLOCK =     85    inner block; outer block 
   IBRION =      6    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      2    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      4    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.0500    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+48 mass=  -0.370E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =   7.01 26.98
  Ionic Valenz
   ZVAL   =   1.00  3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00
   NELECT =      10.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =    -1;   SIGMA  =   0.10  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.21E-10  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      16.32       110.12
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.875978  1.655357 10.440248  0.767337
  Thomas-Fermi vector in A             =   1.995724
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



--------------------------------------------------------------------------------------------------------


 finite differences with symmetry
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            7
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Fermi-smearing in eV        SIGMA  =   0.10


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 
 k-points in units of 2pi/SCALE and weight: k points                                
   0.00000000  0.00000000  0.00000000       0.000
   0.01910901  0.00000000  0.00000000       0.001
   0.03821801  0.00000000  0.00000000       0.001
   0.05732702  0.00000000  0.00000000       0.001
   0.07643602  0.00000000  0.00000000       0.001
   0.09554503  0.00000000  0.00000000       0.001
   0.11465403  0.00000000  0.00000000       0.001
   0.00000000  0.01910263  0.00000000       0.002
   0.01910901  0.01910263  0.00000000       0.004
   0.03821801  0.01910263  0.00000000       0.004
   0.05732702  0.01910263  0.00000000       0.004
   0.07643602  0.01910263  0.00000000       0.004
   0.09554503  0.01910263  0.00000000       0.004
   0.11465403  0.01910263  0.00000000       0.004
   0.00000000  0.03820526  0.00000000       0.002
   0.01910901  0.03820526  0.00000000       0.004
   0.03821801  0.03820526  0.00000000       0.004
   0.05732702  0.03820526  0.00000000       0.004
   0.07643602  0.03820526  0.00000000       0.004
   0.09554503  0.03820526  0.00000000       0.004
   0.11465403  0.03820526  0.00000000       0.004
   0.00000000  0.05730788  0.00000000       0.002
   0.01910901  0.05730788  0.00000000       0.004
   0.03821801  0.05730788  0.00000000       0.004
   0.05732702  0.05730788  0.00000000       0.004
   0.07643602  0.05730788  0.00000000       0.004
   0.09554503  0.05730788  0.00000000       0.004
   0.11465403  0.05730788  0.00000000       0.004
   0.00000000  0.07641051  0.00000000       0.002
   0.01910901  0.07641051  0.00000000       0.004
   0.03821801  0.07641051  0.00000000       0.004
   0.05732702  0.07641051  0.00000000       0.004
   0.07643602  0.07641051  0.00000000       0.004
   0.09554503  0.07641051  0.00000000       0.004
   0.11465403  0.07641051  0.00000000       0.004
   0.00000000  0.09551314  0.00000000       0.002
   0.01910901  0.09551314  0.00000000       0.004
   0.03821801  0.09551314  0.00000000       0.004
   0.05732702  0.09551314  0.00000000       0.004
   0.07643602  0.09551314  0.00000000       0.004
   0.09554503  0.09551314  0.00000000       0.004
   0.11465403  0.09551314  0.00000000       0.004
   0.00000000  0.11461577  0.00000000       0.002
   0.01910901  0.11461577  0.00000000       0.004
   0.03821801  0.11461577  0.00000000       0.004
   0.05732702  0.11461577  0.00000000       0.004
   0.07643602  0.11461577  0.00000000       0.004
   0.09554503  0.11461577  0.00000000       0.004
   0.11465403  0.11461577  0.00000000       0.004
   0.00000000  0.01910263  0.01910263       0.002
   0.01910901  0.01910263  0.01910263       0.004
   0.03821801  0.01910263  0.01910263       0.004
   0.05732702  0.01910263  0.01910263       0.004
   0.07643602  0.01910263  0.01910263       0.004
   0.09554503  0.01910263  0.01910263       0.004
   0.11465403  0.01910263  0.01910263       0.004
   0.00000000  0.03820526  0.01910263       0.004
   0.01910901  0.03820526  0.01910263       0.007
   0.03821801  0.03820526  0.01910263       0.007
   0.05732702  0.03820526  0.01910263       0.007
   0.07643602  0.03820526  0.01910263       0.007
   0.09554503  0.03820526  0.01910263       0.007
   0.11465403  0.03820526  0.01910263       0.007
   0.00000000  0.05730788  0.01910263       0.004
   0.01910901  0.05730788  0.01910263       0.007
   0.03821801  0.05730788  0.01910263       0.007
   0.05732702  0.05730788  0.01910263       0.007
   0.07643602  0.05730788  0.01910263       0.007
   0.09554503  0.05730788  0.01910263       0.007
   0.11465403  0.05730788  0.01910263       0.007
   0.00000000  0.07641051  0.01910263       0.004
   0.01910901  0.07641051  0.01910263       0.007
   0.03821801  0.07641051  0.01910263       0.007
   0.05732702  0.07641051  0.01910263       0.007
   0.07643602  0.07641051  0.01910263       0.007
   0.09554503  0.07641051  0.01910263       0.007
   0.11465403  0.07641051  0.01910263       0.007
   0.00000000  0.09551314  0.01910263       0.004
   0.01910901  0.09551314  0.01910263       0.007
   0.03821801  0.09551314  0.01910263       0.007
   0.05732702  0.09551314  0.01910263       0.007
   0.07643602  0.09551314  0.01910263       0.007
   0.09554503  0.09551314  0.01910263       0.007
   0.11465403  0.09551314  0.01910263       0.007
   0.00000000  0.11461577  0.01910263       0.004
   0.01910901  0.11461577  0.01910263       0.007
   0.03821801  0.11461577  0.01910263       0.007
   0.05732702  0.11461577  0.01910263       0.007
   0.07643602  0.11461577  0.01910263       0.007
   0.09554503  0.11461577  0.01910263       0.007
   0.11465403  0.11461577  0.01910263       0.007
   0.00000000  0.03820526  0.03820526       0.002
   0.01910901  0.03820526  0.03820526       0.004
   0.03821801  0.03820526  0.03820526       0.004
   0.05732702  0.03820526  0.03820526       0.004
   0.07643602  0.03820526  0.03820526       0.004
   0.09554503  0.03820526  0.03820526       0.004
   0.11465403  0.03820526  0.03820526       0.004
   0.00000000  0.05730788  0.03820526       0.004
   0.01910901  0.05730788  0.03820526       0.007
   0.03821801  0.05730788  0.03820526       0.007
   0.05732702  0.05730788  0.03820526       0.007
   0.07643602  0.05730788  0.03820526       0.007
   0.09554503  0.05730788  0.03820526       0.007
   0.11465403  0.05730788  0.03820526       0.007
   0.00000000  0.07641051  0.03820526       0.004
   0.01910901  0.07641051  0.03820526       0.007
   0.03821801  0.07641051  0.03820526       0.007
   0.05732702  0.07641051  0.03820526       0.007
   0.07643602  0.07641051  0.03820526       0.007
   0.09554503  0.07641051  0.03820526       0.007
   0.11465403  0.07641051  0.03820526       0.007
   0.00000000  0.09551314  0.03820526       0.004
   0.01910901  0.09551314  0.03820526       0.007
   0.03821801  0.09551314  0.03820526       0.007
   0.05732702  0.09551314  0.03820526       0.007
   0.07643602  0.09551314  0.03820526       0.007
   0.09554503  0.09551314  0.03820526       0.007
   0.11465403  0.09551314  0.03820526       0.007
   0.00000000  0.11461577  0.03820526       0.004
   0.01910901  0.11461577  0.03820526       0.007
   0.03821801  0.11461577  0.03820526       0.007
   0.05732702  0.11461577  0.03820526       0.007
   0.07643602  0.11461577  0.03820526       0.007
   0.09554503  0.11461577  0.03820526       0.007
   0.11465403  0.11461577  0.03820526       0.007
   0.00000000  0.05730788  0.05730788       0.002
   0.01910901  0.05730788  0.05730788       0.004
   0.03821801  0.05730788  0.05730788       0.004
   0.05732702  0.05730788  0.05730788       0.004
   0.07643602  0.05730788  0.05730788       0.004
   0.09554503  0.05730788  0.05730788       0.004
   0.11465403  0.05730788  0.05730788       0.004
   0.00000000  0.07641051  0.05730788       0.004
   0.01910901  0.07641051  0.05730788       0.007
   0.03821801  0.07641051  0.05730788       0.007
   0.05732702  0.07641051  0.05730788       0.007
   0.07643602  0.07641051  0.05730788       0.007
   0.09554503  0.07641051  0.05730788       0.007
   0.11465403  0.07641051  0.05730788       0.007
   0.00000000  0.09551314  0.05730788       0.004
   0.01910901  0.09551314  0.05730788       0.007
   0.03821801  0.09551314  0.05730788       0.007
   0.05732702  0.09551314  0.05730788       0.007
   0.07643602  0.09551314  0.05730788       0.007
   0.09554503  0.09551314  0.05730788       0.007
   0.11465403  0.09551314  0.05730788       0.007
   0.00000000  0.11461577  0.05730788       0.004
   0.01910901  0.11461577  0.05730788       0.007
   0.03821801  0.11461577  0.05730788       0.007
   0.05732702  0.11461577  0.05730788       0.007
   0.07643602  0.11461577  0.05730788       0.007
   0.09554503  0.11461577  0.05730788       0.007
   0.11465403  0.11461577  0.05730788       0.007
   0.00000000  0.07641051  0.07641051       0.002
   0.01910901  0.07641051  0.07641051       0.004
   0.03821801  0.07641051  0.07641051       0.004
   0.05732702  0.07641051  0.07641051       0.004
   0.07643602  0.07641051  0.07641051       0.004
   0.09554503  0.07641051  0.07641051       0.004
   0.11465403  0.07641051  0.07641051       0.004
   0.00000000  0.09551314  0.07641051       0.004
   0.01910901  0.09551314  0.07641051       0.007
   0.03821801  0.09551314  0.07641051       0.007
   0.05732702  0.09551314  0.07641051       0.007
   0.07643602  0.09551314  0.07641051       0.007
   0.09554503  0.09551314  0.07641051       0.007
   0.11465403  0.09551314  0.07641051       0.007
   0.00000000  0.11461577  0.07641051       0.004
   0.01910901  0.11461577  0.07641051       0.007
   0.03821801  0.11461577  0.07641051       0.007
   0.05732702  0.11461577  0.07641051       0.007
   0.07643602  0.11461577  0.07641051       0.007
   0.09554503  0.11461577  0.07641051       0.007
   0.11465403  0.11461577  0.07641051       0.007
   0.00000000  0.09551314  0.09551314       0.002
   0.01910901  0.09551314  0.09551314       0.004
   0.03821801  0.09551314  0.09551314       0.004
   0.05732702  0.09551314  0.09551314       0.004
   0.07643602  0.09551314  0.09551314       0.004
   0.09554503  0.09551314  0.09551314       0.004
   0.11465403  0.09551314  0.09551314       0.004
   0.00000000  0.11461577  0.09551314       0.004
   0.01910901  0.11461577  0.09551314       0.007
   0.03821801  0.11461577  0.09551314       0.007
   0.05732702  0.11461577  0.09551314       0.007
   0.07643602  0.11461577  0.09551314       0.007
   0.09554503  0.11461577  0.09551314       0.007
   0.11465403  0.11461577  0.09551314       0.007
   0.00000000  0.11461577  0.11461577       0.002
   0.01910901  0.11461577  0.11461577       0.004
   0.03821801  0.11461577  0.11461577       0.004
   0.05732702  0.11461577  0.11461577       0.004
   0.07643602  0.11461577  0.11461577       0.004
   0.09554503  0.11461577  0.11461577       0.004
   0.11465403  0.11461577  0.11461577       0.004
 
 k-points in reciprocal lattice and weights: k points                                
   0.00000000  0.00000000  0.00000000       0.000
   0.07692308  0.00000000  0.00000000       0.001
   0.15384615  0.00000000  0.00000000       0.001
   0.23076923  0.00000000  0.00000000       0.001
   0.30769231  0.00000000  0.00000000       0.001
   0.38461538  0.00000000  0.00000000       0.001
   0.46153846  0.00000000  0.00000000       0.001
   0.00000000  0.07692308  0.00000000       0.002
   0.07692308  0.07692308  0.00000000       0.004
   0.15384615  0.07692308  0.00000000       0.004
   0.23076923  0.07692308  0.00000000       0.004
   0.30769231  0.07692308  0.00000000       0.004
   0.38461538  0.07692308  0.00000000       0.004
   0.46153846  0.07692308  0.00000000       0.004
   0.00000000  0.15384615  0.00000000       0.002
   0.07692308  0.15384615  0.00000000       0.004
   0.15384615  0.15384615  0.00000000       0.004
   0.23076923  0.15384615  0.00000000       0.004
   0.30769231  0.15384615  0.00000000       0.004
   0.38461538  0.15384615  0.00000000       0.004
   0.46153846  0.15384615  0.00000000       0.004
   0.00000000  0.23076923  0.00000000       0.002
   0.07692308  0.23076923  0.00000000       0.004
   0.15384615  0.23076923  0.00000000       0.004
   0.23076923  0.23076923  0.00000000       0.004
   0.30769231  0.23076923  0.00000000       0.004
   0.38461538  0.23076923  0.00000000       0.004
   0.46153846  0.23076923  0.00000000       0.004
   0.00000000  0.30769231  0.00000000       0.002
   0.07692308  0.30769231  0.00000000       0.004
   0.15384615  0.30769231  0.00000000       0.004
   0.23076923  0.30769231  0.00000000       0.004
   0.30769231  0.30769231  0.00000000       0.004
   0.38461538  0.30769231  0.00000000       0.004
   0.46153846  0.30769231  0.00000000       0.004
   0.00000000  0.38461538  0.00000000       0.002
   0.07692308  0.38461538  0.00000000       0.004
   0.15384615  0.38461538  0.00000000       0.004
   0.23076923  0.38461538  0.00000000       0.004
   0.30769231  0.38461538  0.00000000       0.004
   0.38461538  0.38461538  0.00000000       0.004
   0.46153846  0.38461538  0.00000000       0.004
   0.00000000  0.46153846  0.00000000       0.002
   0.07692308  0.46153846  0.00000000       0.004
   0.15384615  0.46153846  0.00000000       0.004
   0.23076923  0.46153846  0.00000000       0.004
   0.30769231  0.46153846  0.00000000       0.004
   0.38461538  0.46153846  0.00000000       0.004
   0.46153846  0.46153846  0.00000000       0.004
   0.00000000  0.07692308  0.07692308       0.002
   0.07692308  0.07692308  0.07692308       0.004
   0.15384615  0.07692308  0.07692308       0.004
   0.23076923  0.07692308  0.07692308       0.004
   0.30769231  0.07692308  0.07692308       0.004
   0.38461538  0.07692308  0.07692308       0.004
   0.46153846  0.07692308  0.07692308       0.004
   0.00000000  0.15384615  0.07692308       0.004
   0.07692308  0.15384615  0.07692308       0.007
   0.15384615  0.15384615  0.07692308       0.007
   0.23076923  0.15384615  0.07692308       0.007
   0.30769231  0.15384615  0.07692308       0.007
   0.38461538  0.15384615  0.07692308       0.007
   0.46153846  0.15384615  0.07692308       0.007
   0.00000000  0.23076923  0.07692308       0.004
   0.07692308  0.23076923  0.07692308       0.007
   0.15384615  0.23076923  0.07692308       0.007
   0.23076923  0.23076923  0.07692308       0.007
   0.30769231  0.23076923  0.07692308       0.007
   0.38461538  0.23076923  0.07692308       0.007
   0.46153846  0.23076923  0.07692308       0.007
   0.00000000  0.30769231  0.07692308       0.004
   0.07692308  0.30769231  0.07692308       0.007
   0.15384615  0.30769231  0.07692308       0.007
   0.23076923  0.30769231  0.07692308       0.007
   0.30769231  0.30769231  0.07692308       0.007
   0.38461538  0.30769231  0.07692308       0.007
   0.46153846  0.30769231  0.07692308       0.007
   0.00000000  0.38461538  0.07692308       0.004
   0.07692308  0.38461538  0.07692308       0.007
   0.15384615  0.38461538  0.07692308       0.007
   0.23076923  0.38461538  0.07692308       0.007
   0.30769231  0.38461538  0.07692308       0.007
   0.38461538  0.38461538  0.07692308       0.007
   0.46153846  0.38461538  0.07692308       0.007
   0.00000000  0.46153846  0.07692308       0.004
   0.07692308  0.46153846  0.07692308       0.007
   0.15384615  0.46153846  0.07692308       0.007
   0.23076923  0.46153846  0.07692308       0.007
   0.30769231  0.46153846  0.07692308       0.007
   0.38461538  0.46153846  0.07692308       0.007
   0.46153846  0.46153846  0.07692308       0.007
   0.00000000  0.15384615  0.15384615       0.002
   0.07692308  0.15384615  0.15384615       0.004
   0.15384615  0.15384615  0.15384615       0.004
   0.23076923  0.15384615  0.15384615       0.004
   0.30769231  0.15384615  0.15384615       0.004
   0.38461538  0.15384615  0.15384615       0.004
   0.46153846  0.15384615  0.15384615       0.004
   0.00000000  0.23076923  0.15384615       0.004
   0.07692308  0.23076923  0.15384615       0.007
   0.15384615  0.23076923  0.15384615       0.007
   0.23076923  0.23076923  0.15384615       0.007
   0.30769231  0.23076923  0.15384615       0.007
   0.38461538  0.23076923  0.15384615       0.007
   0.46153846  0.23076923  0.15384615       0.007
   0.00000000  0.30769231  0.15384615       0.004
   0.07692308  0.30769231  0.15384615       0.007
   0.15384615  0.30769231  0.15384615       0.007
   0.23076923  0.30769231  0.15384615       0.007
   0.30769231  0.30769231  0.15384615       0.007
   0.38461538  0.30769231  0.15384615       0.007
   0.46153846  0.30769231  0.15384615       0.007
   0.00000000  0.38461538  0.15384615       0.004
   0.07692308  0.38461538  0.15384615       0.007
   0.15384615  0.38461538  0.15384615       0.007
   0.23076923  0.38461538  0.15384615       0.007
   0.30769231  0.38461538  0.15384615       0.007
   0.38461538  0.38461538  0.15384615       0.007
   0.46153846  0.38461538  0.15384615       0.007
   0.00000000  0.46153846  0.15384615       0.004
   0.07692308  0.46153846  0.15384615       0.007
   0.15384615  0.46153846  0.15384615       0.007
   0.23076923  0.46153846  0.15384615       0.007
   0.30769231  0.46153846  0.15384615       0.007
   0.38461538  0.46153846  0.15384615       0.007
   0.46153846  0.46153846  0.15384615       0.007
   0.00000000  0.23076923  0.23076923       0.002
   0.07692308  0.23076923  0.23076923       0.004
   0.15384615  0.23076923  0.23076923       0.004
   0.23076923  0.23076923  0.23076923       0.004
   0.30769231  0.23076923  0.23076923       0.004
   0.38461538  0.23076923  0.23076923       0.004
   0.46153846  0.23076923  0.23076923       0.004
   0.00000000  0.30769231  0.23076923       0.004
   0.07692308  0.30769231  0.23076923       0.007
   0.15384615  0.30769231  0.23076923       0.007
   0.23076923  0.30769231  0.23076923       0.007
   0.30769231  0.30769231  0.23076923       0.007
   0.38461538  0.30769231  0.23076923       0.007
   0.46153846  0.30769231  0.23076923       0.007
   0.00000000  0.38461538  0.23076923       0.004
   0.07692308  0.38461538  0.23076923       0.007
   0.15384615  0.38461538  0.23076923       0.007
   0.23076923  0.38461538  0.23076923       0.007
   0.30769231  0.38461538  0.23076923       0.007
   0.38461538  0.38461538  0.23076923       0.007
   0.46153846  0.38461538  0.23076923       0.007
   0.00000000  0.46153846  0.23076923       0.004
   0.07692308  0.46153846  0.23076923       0.007
   0.15384615  0.46153846  0.23076923       0.007
   0.23076923  0.46153846  0.23076923       0.007
   0.30769231  0.46153846  0.23076923       0.007
   0.38461538  0.46153846  0.23076923       0.007
   0.46153846  0.46153846  0.23076923       0.007
   0.00000000  0.30769231  0.30769231       0.002
   0.07692308  0.30769231  0.30769231       0.004
   0.15384615  0.30769231  0.30769231       0.004
   0.23076923  0.30769231  0.30769231       0.004
   0.30769231  0.30769231  0.30769231       0.004
   0.38461538  0.30769231  0.30769231       0.004
   0.46153846  0.30769231  0.30769231       0.004
   0.00000000  0.38461538  0.30769231       0.004
   0.07692308  0.38461538  0.30769231       0.007
   0.15384615  0.38461538  0.30769231       0.007
   0.23076923  0.38461538  0.30769231       0.007
   0.30769231  0.38461538  0.30769231       0.007
   0.38461538  0.38461538  0.30769231       0.007
   0.46153846  0.38461538  0.30769231       0.007
   0.00000000  0.46153846  0.30769231       0.004
   0.07692308  0.46153846  0.30769231       0.007
   0.15384615  0.46153846  0.30769231       0.007
   0.23076923  0.46153846  0.30769231       0.007
   0.30769231  0.46153846  0.30769231       0.007
   0.38461538  0.46153846  0.30769231       0.007
   0.46153846  0.46153846  0.30769231       0.007
   0.00000000  0.38461538  0.38461538       0.002
   0.07692308  0.38461538  0.38461538       0.004
   0.15384615  0.38461538  0.38461538       0.004
   0.23076923  0.38461538  0.38461538       0.004
   0.30769231  0.38461538  0.38461538       0.004
   0.38461538  0.38461538  0.38461538       0.004
   0.46153846  0.38461538  0.38461538       0.004
   0.00000000  0.46153846  0.38461538       0.004
   0.07692308  0.46153846  0.38461538       0.007
   0.15384615  0.46153846  0.38461538       0.007
   0.23076923  0.46153846  0.38461538       0.007
   0.30769231  0.46153846  0.38461538       0.007
   0.38461538  0.46153846  0.38461538       0.007
   0.46153846  0.46153846  0.38461538       0.007
   0.00000000  0.46153846  0.46153846       0.002
   0.07692308  0.46153846  0.46153846       0.004
   0.15384615  0.46153846  0.46153846       0.004
   0.23076923  0.46153846  0.46153846       0.004
   0.30769231  0.46153846  0.46153846       0.004
   0.38461538  0.46153846  0.46153846       0.004
   0.46153846  0.46153846  0.46153846       0.004
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.00000000
   0.50000000  0.00000000  0.50000000
   0.00000000  0.50000000  0.50000000
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   2.01274410  2.01341607  0.00000000
   2.01274410  0.00000000  2.01341607
   0.00000000  2.01341607  2.01341607
 


--------------------------------------------------------------------------------------------------------


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    1791
 k-point   2 :   0.0769 0.0000 0.0000  plane waves:    1771
 k-point   3 :   0.1538 0.0000 0.0000  plane waves:    1779
 k-point   4 :   0.2308 0.0000 0.0000  plane waves:    1771
 k-point   5 :   0.3077 0.0000 0.0000  plane waves:    1779
 k-point   6 :   0.3846 0.0000 0.0000  plane waves:    1759
 k-point   7 :   0.4615 0.0000 0.0000  plane waves:    1763
 k-point   8 :   0.0000 0.0769 0.0000  plane waves:    1771
 k-point   9 :   0.0769 0.0769 0.0000  plane waves:    1777
 k-point  10 :   0.1538 0.0769 0.0000  plane waves:    1775
 k-point  11 :   0.2308 0.0769 0.0000  plane waves:    1771
 k-point  12 :   0.3077 0.0769 0.0000  plane waves:    1761
 k-point  13 :   0.3846 0.0769 0.0000  plane waves:    1760
 k-point  14 :   0.4615 0.0769 0.0000  plane waves:    1760
 k-point  15 :   0.0000 0.1538 0.0000  plane waves:    1779
 k-point  16 :   0.0769 0.1538 0.0000  plane waves:    1776
 k-point  17 :   0.1538 0.1538 0.0000  plane waves:    1773
 k-point  18 :   0.2308 0.1538 0.0000  plane waves:    1765
 k-point  19 :   0.3077 0.1538 0.0000  plane waves:    1764
 k-point  20 :   0.3846 0.1538 0.0000  plane waves:    1765
 k-point  21 :   0.4615 0.1538 0.0000  plane waves:    1757
 k-point  22 :   0.0000 0.2308 0.0000  plane waves:    1771
 k-point  23 :   0.0769 0.2308 0.0000  plane waves:    1771
 k-point  24 :   0.1538 0.2308 0.0000  plane waves:    1765
 k-point  25 :   0.2308 0.2308 0.0000  plane waves:    1761
 k-point  26 :   0.3077 0.2308 0.0000  plane waves:    1759
 k-point  27 :   0.3846 0.2308 0.0000  plane waves:    1767
 k-point  28 :   0.4615 0.2308 0.0000  plane waves:    1754
 k-point  29 :   0.0000 0.3077 0.0000  plane waves:    1779
 k-point  30 :   0.0769 0.3077 0.0000  plane waves:    1761
 k-point  31 :   0.1538 0.3077 0.0000  plane waves:    1764
 k-point  32 :   0.2308 0.3077 0.0000  plane waves:    1759
 k-point  33 :   0.3077 0.3077 0.0000  plane waves:    1762
 k-point  34 :   0.3846 0.3077 0.0000  plane waves:    1759
 k-point  35 :   0.4615 0.3077 0.0000  plane waves:    1744
 k-point  36 :   0.0000 0.3846 0.0000  plane waves:    1759
 k-point  37 :   0.0769 0.3846 0.0000  plane waves:    1760
 k-point  38 :   0.1538 0.3846 0.0000  plane waves:    1765
 k-point  39 :   0.2308 0.3846 0.0000  plane waves:    1768
 k-point  40 :   0.3077 0.3846 0.0000  plane waves:    1759
 k-point  41 :   0.3846 0.3846 0.0000  plane waves:    1748
 k-point  42 :   0.4615 0.3846 0.0000  plane waves:    1740
 k-point  43 :   0.0000 0.4615 0.0000  plane waves:    1763
 k-point  44 :   0.0769 0.4615 0.0000  plane waves:    1760
 k-point  45 :   0.1538 0.4615 0.0000  plane waves:    1757
 k-point  46 :   0.2308 0.4615 0.0000  plane waves:    1754
 k-point  47 :   0.3077 0.4615 0.0000  plane waves:    1744
 k-point  48 :   0.3846 0.4615 0.0000  plane waves:    1745
 k-point  49 :   0.4615 0.4615 0.0000  plane waves:    1742
 k-point  50 :   0.0000 0.0769 0.0769  plane waves:    1777
 k-point  51 :   0.0769 0.0769 0.0769  plane waves:    1785
 k-point  52 :   0.1538 0.0769 0.0769  plane waves:    1778
 k-point  53 :   0.2308 0.0769 0.0769  plane waves:    1771
 k-point  54 :   0.3077 0.0769 0.0769  plane waves:    1761
 k-point  55 :   0.3846 0.0769 0.0769  plane waves:    1759
 k-point  56 :   0.4615 0.0769 0.0769  plane waves:    1759
 k-point  57 :   0.0000 0.1538 0.0769  plane waves:    1777
 k-point  58 :   0.0769 0.1538 0.0769  plane waves:    1777
 k-point  59 :   0.1538 0.1538 0.0769  plane waves:    1774
 k-point  60 :   0.2308 0.1538 0.0769  plane waves:    1765
 k-point  61 :   0.3077 0.1538 0.0769  plane waves:    1765
 k-point  62 :   0.3846 0.1538 0.0769  plane waves:    1755
 k-point  63 :   0.4615 0.1538 0.0769  plane waves:    1762
 k-point  64 :   0.0000 0.2308 0.0769  plane waves:    1771
 k-point  65 :   0.0769 0.2308 0.0769  plane waves:    1771
 k-point  66 :   0.1538 0.2308 0.0769  plane waves:    1765
 k-point  67 :   0.2308 0.2308 0.0769  plane waves:    1763
 k-point  68 :   0.3077 0.2308 0.0769  plane waves:    1762
 k-point  69 :   0.3846 0.2308 0.0769  plane waves:    1763
 k-point  70 :   0.4615 0.2308 0.0769  plane waves:    1756
 k-point  71 :   0.0000 0.3077 0.0769  plane waves:    1761
 k-point  72 :   0.0769 0.3077 0.0769  plane waves:    1760
 k-point  73 :   0.1538 0.3077 0.0769  plane waves:    1765
 k-point  74 :   0.2308 0.3077 0.0769  plane waves:    1762
 k-point  75 :   0.3077 0.3077 0.0769  plane waves:    1766
 k-point  76 :   0.3846 0.3077 0.0769  plane waves:    1759
 k-point  77 :   0.4615 0.3077 0.0769  plane waves:    1746
 k-point  78 :   0.0000 0.3846 0.0769  plane waves:    1760
 k-point  79 :   0.0769 0.3846 0.0769  plane waves:    1759
 k-point  80 :   0.1538 0.3846 0.0769  plane waves:    1755
 k-point  81 :   0.2308 0.3846 0.0769  plane waves:    1764
 k-point  82 :   0.3077 0.3846 0.0769  plane waves:    1759
 k-point  83 :   0.3846 0.3846 0.0769  plane waves:    1746
 k-point  84 :   0.4615 0.3846 0.0769  plane waves:    1743
 k-point  85 :   0.0000 0.4615 0.0769  plane waves:    1760
 k-point  86 :   0.0769 0.4615 0.0769  plane waves:    1759
 k-point  87 :   0.1538 0.4615 0.0769  plane waves:    1762
 k-point  88 :   0.2308 0.4615 0.0769  plane waves:    1756
 k-point  89 :   0.3077 0.4615 0.0769  plane waves:    1746
 k-point  90 :   0.3846 0.4615 0.0769  plane waves:    1743
 k-point  91 :   0.4615 0.4615 0.0769  plane waves:    1739
 k-point  92 :   0.0000 0.1538 0.1538  plane waves:    1773
 k-point  93 :   0.0769 0.1538 0.1538  plane waves:    1770
 k-point  94 :   0.1538 0.1538 0.1538  plane waves:    1767
 k-point  95 :   0.2308 0.1538 0.1538  plane waves:    1760
 k-point  96 :   0.3077 0.1538 0.1538  plane waves:    1760
 k-point  97 :   0.3846 0.1538 0.1538  plane waves:    1764
 k-point  98 :   0.4615 0.1538 0.1538  plane waves:    1753
 k-point  99 :   0.0000 0.2308 0.1538  plane waves:    1765
 k-point 100 :   0.0769 0.2308 0.1538  plane waves:    1765
 k-point 101 :   0.1538 0.2308 0.1538  plane waves:    1760
 k-point 102 :   0.2308 0.2308 0.1538  plane waves:    1761
 k-point 103 :   0.3077 0.2308 0.1538  plane waves:    1763
 k-point 104 :   0.3846 0.2308 0.1538  plane waves:    1753
 k-point 105 :   0.4615 0.2308 0.1538  plane waves:    1753
 k-point 106 :   0.0000 0.3077 0.1538  plane waves:    1764
 k-point 107 :   0.0769 0.3077 0.1538  plane waves:    1765
 k-point 108 :   0.1538 0.3077 0.1538  plane waves:    1760
 k-point 109 :   0.2308 0.3077 0.1538  plane waves:    1763
 k-point 110 :   0.3077 0.3077 0.1538  plane waves:    1757
 k-point 111 :   0.3846 0.3077 0.1538  plane waves:    1757
 k-point 112 :   0.4615 0.3077 0.1538  plane waves:    1743
 k-point 113 :   0.0000 0.3846 0.1538  plane waves:    1765
 k-point 114 :   0.0769 0.3846 0.1538  plane waves:    1755
 k-point 115 :   0.1538 0.3846 0.1538  plane waves:    1764
 k-point 116 :   0.2308 0.3846 0.1538  plane waves:    1753
 k-point 117 :   0.3077 0.3846 0.1538  plane waves:    1758
 k-point 118 :   0.3846 0.3846 0.1538  plane waves:    1759
 k-point 119 :   0.4615 0.3846 0.1538  plane waves:    1748
 k-point 120 :   0.0000 0.4615 0.1538  plane waves:    1757
 k-point 121 :   0.0769 0.4615 0.1538  plane waves:    1762
 k-point 122 :   0.1538 0.4615 0.1538  plane waves:    1752
 k-point 123 :   0.2308 0.4615 0.1538  plane waves:    1753
 k-point 124 :   0.3077 0.4615 0.1538  plane waves:    1743
 k-point 125 :   0.3846 0.4615 0.1538  plane waves:    1748
 k-point 126 :   0.4615 0.4615 0.1538  plane waves:    1748
 k-point 127 :   0.0000 0.2308 0.2308  plane waves:    1761
 k-point 128 :   0.0769 0.2308 0.2308  plane waves:    1763
 k-point 129 :   0.1538 0.2308 0.2308  plane waves:    1761
 k-point 130 :   0.2308 0.2308 0.2308  plane waves:    1755
 k-point 131 :   0.3077 0.2308 0.2308  plane waves:    1758
 k-point 132 :   0.3846 0.2308 0.2308  plane waves:    1749
 k-point 133 :   0.4615 0.2308 0.2308  plane waves:    1752
 k-point 134 :   0.0000 0.3077 0.2308  plane waves:    1759
 k-point 135 :   0.0769 0.3077 0.2308  plane waves:    1762
 k-point 136 :   0.1538 0.3077 0.2308  plane waves:    1763
 k-point 137 :   0.2308 0.3077 0.2308  plane waves:    1758
 k-point 138 :   0.3077 0.3077 0.2308  plane waves:    1766
 k-point 139 :   0.3846 0.3077 0.2308  plane waves:    1760
 k-point 140 :   0.4615 0.3077 0.2308  plane waves:    1748
 k-point 141 :   0.0000 0.3846 0.2308  plane waves:    1768
 k-point 142 :   0.0769 0.3846 0.2308  plane waves:    1765
 k-point 143 :   0.1538 0.3846 0.2308  plane waves:    1753
 k-point 144 :   0.2308 0.3846 0.2308  plane waves:    1749
 k-point 145 :   0.3077 0.3846 0.2308  plane waves:    1760
 k-point 146 :   0.3846 0.3846 0.2308  plane waves:    1753
 k-point 147 :   0.4615 0.3846 0.2308  plane waves:    1748
 k-point 148 :   0.0000 0.4615 0.2308  plane waves:    1750
 k-point 149 :   0.0769 0.4615 0.2308  plane waves:    1756
 k-point 150 :   0.1538 0.4615 0.2308  plane waves:    1753
 k-point 151 :   0.2308 0.4615 0.2308  plane waves:    1752
 k-point 152 :   0.3077 0.4615 0.2308  plane waves:    1751
 k-point 153 :   0.3846 0.4615 0.2308  plane waves:    1748
 k-point 154 :   0.4615 0.4615 0.2308  plane waves:    1758
 k-point 155 :   0.0000 0.3077 0.3077  plane waves:    1762
 k-point 156 :   0.0769 0.3077 0.3077  plane waves:    1766
 k-point 157 :   0.1538 0.3077 0.3077  plane waves:    1757
 k-point 158 :   0.2308 0.3077 0.3077  plane waves:    1766
 k-point 159 :   0.3077 0.3077 0.3077  plane waves:    1748
 k-point 160 :   0.3846 0.3077 0.3077  plane waves:    1746
 k-point 161 :   0.4615 0.3077 0.3077  plane waves:    1756
 k-point 162 :   0.0000 0.3846 0.3077  plane waves:    1759
 k-point 163 :   0.0769 0.3846 0.3077  plane waves:    1759
 k-point 164 :   0.1538 0.3846 0.3077  plane waves:    1759
 k-point 165 :   0.2308 0.3846 0.3077  plane waves:    1760
 k-point 166 :   0.3077 0.3846 0.3077  plane waves:    1746
 k-point 167 :   0.3846 0.3846 0.3077  plane waves:    1750
 k-point 168 :   0.4615 0.3846 0.3077  plane waves:    1754
 k-point 169 :   0.0000 0.4615 0.3077  plane waves:    1744
 k-point 170 :   0.0769 0.4615 0.3077  plane waves:    1746
 k-point 171 :   0.1538 0.4615 0.3077  plane waves:    1743
 k-point 172 :   0.2308 0.4615 0.3077  plane waves:    1749
 k-point 173 :   0.3077 0.4615 0.3077  plane waves:    1756
 k-point 174 :   0.3846 0.4615 0.3077  plane waves:    1754
 k-point 175 :   0.4615 0.4615 0.3077  plane waves:    1760
 k-point 176 :   0.0000 0.3846 0.3846  plane waves:    1748
 k-point 177 :   0.0769 0.3846 0.3846  plane waves:    1746
 k-point 178 :   0.1538 0.3846 0.3846  plane waves:    1759
 k-point 179 :   0.2308 0.3846 0.3846  plane waves:    1753
 k-point 180 :   0.3077 0.3846 0.3846  plane waves:    1750
 k-point 181 :   0.3846 0.3846 0.3846  plane waves:    1754
 k-point 182 :   0.4615 0.3846 0.3846  plane waves:    1757
 k-point 183 :   0.0000 0.4615 0.3846  plane waves:    1739
 k-point 184 :   0.0769 0.4615 0.3846  plane waves:    1743
 k-point 185 :   0.1538 0.4615 0.3846  plane waves:    1748
 k-point 186 :   0.2308 0.4615 0.3846  plane waves:    1748
 k-point 187 :   0.3077 0.4615 0.3846  plane waves:    1754
 k-point 188 :   0.3846 0.4615 0.3846  plane waves:    1757
 k-point 189 :   0.4615 0.4615 0.3846  plane waves:    1757
 k-point 190 :   0.0000 0.4615 0.4615  plane waves:    1742
 k-point 191 :   0.0769 0.4615 0.4615  plane waves:    1739
 k-point 192 :   0.1538 0.4615 0.4615  plane waves:    1748
 k-point 193 :   0.2308 0.4615 0.4615  plane waves:    1758
 k-point 194 :   0.3077 0.4615 0.4615  plane waves:    1760
 k-point 195 :   0.3846 0.4615 0.4615  plane waves:    1758
 k-point 196 :   0.4615 0.4615 0.4615  plane waves:    1748

 maximum and minimum number of plane-waves per node :      1791     1739

 maximum number of plane-waves:      1791
 maximum index in each direction: 
   IXMAX=    7   IYMAX=    7   IZMAX=    7
   IXMIN=   -7   IYMIN=   -7   IZMIN=   -7


 serial   3D FFT for wavefunctions
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP MPI-rank0    95425. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      45072. kBytes
   fftplans  :       1025. kBytes
   grid      :       2156. kBytes
   one-center:         12. kBytes
   wavefun   :      17160. kBytes
 
     INWAV:  cpu time    0.0001: real time    0.0003
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 15   NGY = 15   NGZ = 15
  (NGX  = 48   NGY  = 48   NGZ  = 48)
  gives a total of   3375 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      10.0000000 magnetization 
 keeping initial charge density in first step


--------------------------------------------------------------------------------------------------------


 Maximum index for augmentation-charges         1991 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 First call to EWALD:  gamma=   0.440
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0017: real time    0.0017


--------------------------------------- Iteration      1(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0488: real time    0.0518
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   10.6968: real time   10.7136
       DOS:  cpu time    0.0073: real time    0.0073
    --------------------------------------------
      LOOP:  cpu time   10.7568: real time   10.7766

 eigenvalue-minimisations  :  4736
 total energy-change (2. order) : 0.3516138E+01  (-0.3609596E+03)
 number of electron      10.0000000 magnetization 
 augmentation part       10.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.70389620
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.13830048
  PAW double counting   =       206.26308697     -104.84108956
  entropy T*S    EENTRO =        -0.03468807
  eigenvalues    EBANDS =        40.22841138
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         3.51613755 eV

  energy without entropy =        3.55082562  energy(sigma->0) =        3.53348159


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   2)  ---------------------------------------


     EDDAV:  cpu time   12.1804: real time   12.1875
       DOS:  cpu time    0.0113: real time    0.0113
    --------------------------------------------
      LOOP:  cpu time   12.1917: real time   12.1988

 eigenvalue-minimisations  :  5880
 total energy-change (2. order) :-0.1661123E+02  (-0.1582087E+02)
 number of electron      10.0000000 magnetization 
 augmentation part       10.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.70389620
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.13830048
  PAW double counting   =       206.26308697     -104.84108956
  entropy T*S    EENTRO =        -0.03750801
  eigenvalues    EBANDS =        23.62000013
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.09509364 eV

  energy without entropy =      -13.05758563  energy(sigma->0) =      -13.07633963


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   3)  ---------------------------------------


     EDDAV:  cpu time   12.5615: real time   12.5662
       DOS:  cpu time    0.0113: real time    0.0113
    --------------------------------------------
      LOOP:  cpu time   12.5729: real time   12.5775

 eigenvalue-minimisations  :  6140
 total energy-change (2. order) :-0.5276877E+00  (-0.5221267E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       10.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.70389620
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.13830048
  PAW double counting   =       206.26308697     -104.84108956
  entropy T*S    EENTRO =        -0.04036772
  eigenvalues    EBANDS =        23.09517212
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.62278136 eV

  energy without entropy =      -13.58241364  energy(sigma->0) =      -13.60259750


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   4)  ---------------------------------------


     EDDAV:  cpu time   11.5765: real time   11.5799
       DOS:  cpu time    0.0091: real time    0.0091
    --------------------------------------------
      LOOP:  cpu time   11.5856: real time   11.5889

 eigenvalue-minimisations  :  5420
 total energy-change (2. order) :-0.4866843E-02  (-0.4865013E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       10.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.70389620
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.13830048
  PAW double counting   =       206.26308697     -104.84108956
  entropy T*S    EENTRO =        -0.04040497
  eigenvalues    EBANDS =        23.09034252
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.62764820 eV

  energy without entropy =      -13.58724324  energy(sigma->0) =      -13.60744572


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   5)  ---------------------------------------


     EDDAV:  cpu time   12.4471: real time   12.4543
       DOS:  cpu time    0.0092: real time    0.0092
    CHARGE:  cpu time    0.1064: real time    0.1064
    MIXING:  cpu time    0.0026: real time    0.0026
    --------------------------------------------
      LOOP:  cpu time   12.5653: real time   12.5725

 eigenvalue-minimisations  :  6104
 total energy-change (2. order) :-0.9966192E-04  (-0.9966109E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1003240 magnetization 

 Broyden mixing:
  rms(total) = 0.22076E+00    rms(broyden)= 0.22076E+00
  rms(prec ) = 0.41395E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.70389620
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.13830048
  PAW double counting   =       206.26308697     -104.84108956
  entropy T*S    EENTRO =        -0.04040526
  eigenvalues    EBANDS =        23.09024316
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.62774786 eV

  energy without entropy =      -13.58734260  energy(sigma->0) =      -13.60754523


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0481: real time    0.0487
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   11.7306: real time   11.7374
       DOS:  cpu time    0.0109: real time    0.0109
    CHARGE:  cpu time    0.1036: real time    0.1036
    MIXING:  cpu time    0.0045: real time    0.0045
    --------------------------------------------
      LOOP:  cpu time   11.9009: real time   11.9084

 eigenvalue-minimisations  :  5528
 total energy-change (2. order) : 0.4523994E-01  (-0.1636478E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1023597 magnetization 

 Broyden mixing:
  rms(total) = 0.12799E+00    rms(broyden)= 0.12799E+00
  rms(prec ) = 0.25007E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3120
  2.3120

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.48517052
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.03605498
  PAW double counting   =       291.83177289     -190.43009158
  entropy T*S    EENTRO =        -0.04022839
  eigenvalues    EBANDS =        22.83465114
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.58250793 eV

  energy without entropy =      -13.54227953  energy(sigma->0) =      -13.56239373


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   7)  ---------------------------------------


    POTLOK:  cpu time    0.0494: real time    0.0497
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   11.7524: real time   11.7592
       DOS:  cpu time    0.0097: real time    0.0097
    CHARGE:  cpu time    0.1058: real time    0.1058
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time   11.9246: real time   11.9317

 eigenvalue-minimisations  :  5532
 total energy-change (2. order) : 0.2847543E-01  (-0.3082539E-02)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1057454 magnetization 

 Broyden mixing:
  rms(total) = 0.21720E-01    rms(broyden)= 0.21720E-01
  rms(prec ) = 0.31916E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.6082
  2.6082  2.6082

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.32689767
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.83636355
  PAW double counting   =       454.91544651     -353.55743026
  entropy T*S    EENTRO =        -0.04003962
  eigenvalues    EBANDS =        22.54863857
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55403250 eV

  energy without entropy =      -13.51399288  energy(sigma->0) =      -13.53401269


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   8)  ---------------------------------------


    POTLOK:  cpu time    0.0468: real time    0.0471
    SETDIJ:  cpu time    0.0029: real time    0.0029
     EDDAV:  cpu time   11.6816: real time   11.6861
       DOS:  cpu time    0.0111: real time    0.0111
    CHARGE:  cpu time    0.1050: real time    0.1050
    MIXING:  cpu time    0.0048: real time    0.0048
    --------------------------------------------
      LOOP:  cpu time   11.8522: real time   11.8570

 eigenvalue-minimisations  :  5528
 total energy-change (2. order) : 0.3278830E-03  (-0.1151575E-03)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1058472 magnetization 

 Broyden mixing:
  rms(total) = 0.40237E-02    rms(broyden)= 0.40237E-02
  rms(prec ) = 0.64556E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0818
  1.3549  2.6602  2.2301

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.38914906
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80945414
  PAW double counting   =       436.42290509     -335.07457522
  entropy T*S    EENTRO =        -0.04006003
  eigenvalues    EBANDS =        22.59401522
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55370462 eV

  energy without entropy =      -13.51364459  energy(sigma->0) =      -13.53367460


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   9)  ---------------------------------------


    POTLOK:  cpu time    0.0502: real time    0.0505
    SETDIJ:  cpu time    0.0041: real time    0.0041
     EDDAV:  cpu time   12.1106: real time   12.1136
       DOS:  cpu time    0.0108: real time    0.0108
    --------------------------------------------
      LOOP:  cpu time   12.1756: real time   12.1789

 eigenvalue-minimisations  :  5800
 total energy-change (2. order) : 0.9964406E-05  (-0.3942836E-05)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1058472 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.05962390
  -Hartree energ DENC   =        -3.39262735
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80266697
  PAW double counting   =       433.42826660     -332.08129018
  entropy T*S    EENTRO =        -0.04005695
  eigenvalues    EBANDS =        22.59206668
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55369465 eV

  energy without entropy =      -13.51363770  energy(sigma->0) =      -13.53366618


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2444       2 -74.2402       3 -74.2402       4 -74.2398
 
 
 
 E-fermi :   6.2575     XC(G=0):  -9.5667     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6242      2.00000
      2       4.3285      2.00000
      3       4.3285      2.00000
      4       4.3333      2.00000
      5       5.5481      1.99834
      6       5.5532      1.99825
      7       7.6024      0.00000
      8      12.5115      0.00000
      9      12.5115      0.00000
     10      12.5137      0.00000
     11      12.8116      0.00000
     12      12.8132      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5749      2.00000
      2       3.6451      2.00000
      3       4.3776      2.00000
      4       4.3776      2.00000
      5       5.6010      1.99719
      6       6.1577      1.46160
      7       7.8029      0.00000
      8      11.5770      0.00000
      9      11.5770      0.00000
     10      12.1699      0.00000
     11      12.8578      0.00000
     12      12.9862      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4277      2.00000
      2       2.6159      2.00000
      3       4.5244      2.00000
      4       4.5244      2.00000
      5       5.7595      1.98635
      6       6.7609      0.01294
      7       8.5752      0.00000
      8      10.4590      0.00000
      9      10.4590      0.00000
     10      11.4062      0.00000
     11      12.8153      0.00000
     12      13.0028      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1859      2.00000
      2       1.6221      2.00000
      3       4.7677      2.00000
      4       4.7677      2.00000
      5       6.0225      1.82596
      6       7.0450      0.00076
      7       9.4222      0.00000
      8       9.4222      0.00000
      9       9.8460      0.00000
     10      10.5258      0.00000
     11      12.3318      0.00000
     12      13.2349      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8577      2.00000
      2       0.7176      2.00000
      3       5.1040      1.99998
      4       5.1040      1.99998
      5       6.3882      0.42598
      6       7.2197      0.00013
      7       8.4868      0.00000
      8       8.4868      0.00000
      9       9.6528      0.00000
     10      11.2355      0.00000
     11      12.0153      0.00000
     12      13.5441      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4678      2.00000
      2      -0.0602      2.00000
      3       5.5208      1.99874
      4       5.5208      1.99874
      5       6.8536      0.00514
      6       7.3456      0.00004
      7       7.6697      0.00000
      8       7.6697      0.00000
      9       8.8351      0.00000
     10      11.4263      0.00000
     11      13.1404      0.00000
     12      13.8916      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1164      2.00000
      2      -0.6065      2.00000
      3       5.9466      1.91453
      4       5.9466      1.91453
      5       7.0433      0.00077
      6       7.0433      0.00077
      7       7.4074      0.00002
      8       7.4163      0.00002
      9       8.1018      0.00000
     10      11.2732      0.00000
     11      14.1654      0.00000
     12      14.5223      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5749      2.00000
      2       3.6407      2.00000
      3       4.3775      2.00000
      4       4.3824      2.00000
      5       5.6048      1.99708
      6       6.1548      1.47263
      7       7.8013      0.00000
      8      11.5729      0.00000
      9      11.5770      0.00000
     10      12.1690      0.00000
     11      12.8619      0.00000
     12      12.9918      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5256      2.00000
      2       3.5652      2.00000
      3       3.8395      2.00000
      4       4.4266      2.00000
      5       5.9327      1.92522
      6       6.5069      0.15261
      7       7.9546      0.00000
      8      10.8396      0.00000
      9      11.4744      0.00000
     10      11.8588      0.00000
     11      12.3589      0.00000
     12      12.8473      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3783      2.00000
      2       2.6484      2.00000
      3       3.8807      2.00000
      4       4.5734      2.00000
      5       6.1438      1.51421
      6       7.1338      0.00031
      7       8.6239      0.00000
      8       9.8304      0.00000
      9      10.4999      0.00000
     10      11.7940      0.00000
     11      11.8390      0.00000
     12      12.8775      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1362      2.00000
      2       1.6633      2.00000
      3       4.1153      2.00000
      4       4.8167      2.00000
      5       6.3882      0.42619
      6       7.4364      0.00002
      7       8.8246      0.00000
      8       9.4692      0.00000
      9       9.9065      0.00000
     10      10.9717      0.00000
     11      12.0638      0.00000
     12      12.5079      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8076      2.00000
      2       0.7611      2.00000
      3       4.4446      2.00000
      4       5.1529      1.99997
      5       6.6775      0.02955
      6       7.5848      0.00000
      7       8.0353      0.00000
      8       8.5351      0.00000
      9      10.1180      0.00000
     10      11.3477      0.00000
     11      12.1180      0.00000
     12      12.3816      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4169      2.00000
      2      -0.0163      2.00000
      3       4.8494      2.00000
      4       5.5695      1.99795
      5       6.7514      0.01423
      6       7.4463      0.00001
      7       7.7184      0.00000
      8       7.8874      0.00000
      9       9.3427      0.00000
     10      11.6176      0.00000
     11      12.7624      0.00000
     12      13.0935      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0639      2.00000
      2      -0.5638      2.00000
      3       5.2508      1.99992
      4       5.9951      1.86475
      5       6.3360      0.62653
      6       7.0925      0.00047
      7       7.6138      0.00000
      8       8.1158      0.00000
      9       8.6728      0.00000
     10      11.4447      0.00000
     11      13.1078      0.00000
     12      14.1378      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4279      2.00000
      2       2.6122      2.00000
      3       4.5242      2.00000
      4       4.5291      2.00000
      5       5.7631      1.98585
      6       6.7610      0.01293
      7       8.5698      0.00000
      8      10.4553      0.00000
      9      10.4597      0.00000
     10      11.4059      0.00000
     11      12.8149      0.00000
     12      13.0052      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3784      2.00000
      2       2.6449      2.00000
      3       3.8848      2.00000
      4       4.5733      2.00000
      5       6.1454      1.50840
      6       7.1360      0.00031
      7       8.6191      0.00000
      8       9.8308      0.00000
      9      10.4963      0.00000
     10      11.7927      0.00000
     11      11.8432      0.00000
     12      12.8815      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2307      2.00000
      2       2.5826      2.00000
      3       3.0719      2.00000
      4       4.7200      2.00000
      5       6.4081      0.36310
      6       8.0497      0.00000
      7       8.6540      0.00000
      8       9.1593      0.00000
      9      10.4957      0.00000
     10      10.8449      0.00000
     11      11.8451      0.00000
     12      12.6322      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9880      2.00000
      2       1.7731      2.00000
      3       3.1265      2.00000
      4       4.9632      2.00000
      5       6.5669      0.08671
      6       7.9165      0.00000
      7       8.5955      0.00000
      8       9.6062      0.00000
      9      10.0335      0.00000
     10      10.9286      0.00000
     11      11.3327      0.00000
     12      12.6369      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6580      2.00000
      2       0.8881      2.00000
      3       3.4297      2.00000
      4       5.2992      1.99986
      5       6.4576      0.23815
      6       7.4663      0.00001
      7       8.6789      0.00000
      8       8.8193      0.00000
      9      10.6509      0.00000
     10      11.2425      0.00000
     11      11.5006      0.00000
     12      12.5271      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2647      2.00000
      2       0.1133      2.00000
      3       3.8144      2.00000
      4       5.7155      1.99118
      5       5.9140      1.93756
      6       7.5783      0.00000
      7       7.8641      0.00000
      8       8.9547      0.00000
      9      10.1176      0.00000
     10      11.6277      0.00000
     11      12.2081      0.00000
     12      12.8467      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9065      2.00000
      2      -0.4374      2.00000
      3       4.1838      2.00000
      4       5.4029      1.99961
      5       6.1405      1.52639
      6       7.2392      0.00011
      7       7.7968      0.00000
      8       8.9591      0.00000
      9       9.8257      0.00000
     10      11.9831      0.00000
     11      11.9861      0.00000
     12      13.3956      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1863      2.00000
      2       1.6190      2.00000
      3       4.7674      2.00000
      4       4.7722      2.00000
      5       6.0259      1.82036
      6       7.0463      0.00075
      7       9.4191      0.00000
      8       9.4236      0.00000
      9       9.8383      0.00000
     10      10.5262      0.00000
     11      12.3322      0.00000
     12      13.2384      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1365      2.00000
      2       1.6603      2.00000
      3       4.1193      2.00000
      4       4.8164      2.00000
      5       6.3896      0.42132
      6       7.4403      0.00001
      7       8.8253      0.00000
      8       9.4662      0.00000
      9       9.8991      0.00000
     10      10.9715      0.00000
     11      12.0679      0.00000
     12      12.5098      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9882      2.00000
      2       1.7704      2.00000
      3       3.1296      2.00000
      4       4.9630      2.00000
      5       6.5671      0.08658
      6       7.9176      0.00000
      7       8.5999      0.00000
      8       9.6034      0.00000
      9      10.0269      0.00000
     10      10.9320      0.00000
     11      11.3319      0.00000
     12      12.6399      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7440      2.00000
      2       1.7615      2.00000
      3       2.3765      2.00000
      4       5.2060      1.99995
      5       6.3587      0.53322
      6       7.4618      0.00001
      7       9.7104      0.00000
      8       9.7397      0.00000
      9      10.0207      0.00000
     10      10.3547      0.00000
     11      11.2949      0.00000
     12      12.4470      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4115      2.00000
      2       1.0768      2.00000
      3       2.4680      2.00000
      4       5.5418      1.99844
      5       5.7125      1.99145
      6       7.5415      0.00001
      7       8.9124      0.00000
      8      10.0104      0.00000
      9      10.2081      0.00000
     10      11.0946      0.00000
     11      11.4345      0.00000
     12      12.6297      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0133      2.00000
      2       0.3212      2.00000
      3       2.8128      2.00000
      4       5.0241      1.99999
      5       5.9576      1.90512
      6       7.8091      0.00000
      7       8.1037      0.00000
      8       9.7703      0.00000
      9      10.5921      0.00000
     10      11.1188      0.00000
     11      12.1654      0.00000
     12      12.9229      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6457      2.00000
      2      -0.2332      2.00000
      3       3.1468      2.00000
      4       4.5136      2.00000
      5       6.3817      0.44836
      6       7.4809      0.00001
      7       8.0573      0.00000
      8       9.4667      0.00000
      9      10.9537      0.00000
     10      11.2496      0.00000
     11      12.3602      0.00000
     12      12.4823      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8583      2.00000
      2       0.7152      2.00000
      3       5.1034      1.99998
      4       5.1082      1.99998
      5       6.3914      0.41527
      6       7.2212      0.00013
      7       8.4844      0.00000
      8       8.4890      0.00000
      9       9.6538      0.00000
     10      11.2281      0.00000
     11      12.0146      0.00000
     12      13.5469      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7588      2.00000
      3       4.4485      2.00000
      4       5.1524      1.99997
      5       6.6784      0.02929
      6       7.5894      0.00000
      7       8.0365      0.00000
      8       8.5327      0.00000
      9      10.1186      0.00000
     10      11.3399      0.00000
     11      12.1192      0.00000
     12      12.3855      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6585      2.00000
      2       0.8859      2.00000
      3       3.4328      2.00000
      4       5.2988      1.99986
      5       6.4583      0.23672
      6       7.4668      0.00001
      7       8.6767      0.00000
      8       8.8244      0.00000
      9      10.6505      0.00000
     10      11.2456      0.00000
     11      11.4934      0.00000
     12      12.5309      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4118      2.00000
      2       1.0749      2.00000
      3       2.4703      2.00000
      4       5.5415      1.99845
      5       5.7130      1.99140
      6       7.5413      0.00001
      7       8.9104      0.00000
      8      10.0141      0.00000
      9      10.2105      0.00000
     10      11.0969      0.00000
     11      11.4297      0.00000
     12      12.6284      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0749      2.00000
      2       1.1360      2.00000
      3       1.7993      2.00000
      4       4.9127      2.00000
      5       5.8768      1.95654
      6       7.7989      0.00000
      7       9.1209      0.00000
      8       9.3927      0.00000
      9      10.4718      0.00000
     10      11.3193      0.00000
     11      11.9579      0.00000
     12      12.7759      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6685      2.00000
      2       0.5811      2.00000
      3       1.9148      2.00000
      4       4.2065      2.00000
      5       6.2921      0.82893
      6       8.1247      0.00000
      7       8.4282      0.00000
      8       9.6647      0.00000
      9      10.1327      0.00000
     10      11.5165      0.00000
     11      11.9889      0.00000
     12      12.4944      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2845      2.00000
      2       0.0341      2.00000
      3       2.1920      2.00000
      4       3.7184      2.00000
      5       6.7158      0.02024
      6       7.8101      0.00000
      7       8.4102      0.00000
      8       9.7668      0.00000
      9      10.0271      0.00000
     10      11.4193      0.00000
     11      11.6693      0.00000
     12      12.7871      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4689      2.00000
      2      -0.0619      2.00000
      3       5.5198      1.99875
      4       5.5246      1.99869
      5       6.8565      0.00500
      6       7.3471      0.00004
      7       7.6678      0.00000
      8       7.6724      0.00000
      9       8.8367      0.00000
     10      11.4270      0.00000
     11      13.1309      0.00000
     12      13.9026      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4179      2.00000
      2      -0.0181      2.00000
      3       4.8529      2.00000
      4       5.5686      1.99796
      5       6.7528      0.01403
      6       7.4478      0.00001
      7       7.7167      0.00000
      8       7.8909      0.00000
      9       9.3447      0.00000
     10      11.6191      0.00000
     11      12.7658      0.00000
     12      13.0854      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2656      2.00000
      2       0.1117      2.00000
      3       3.8172      2.00000
      4       5.7147      1.99125
      5       5.9156      1.93657
      6       7.5778      0.00000
      7       7.8624      0.00000
      8       8.9587      0.00000
      9      10.1201      0.00000
     10      11.6304      0.00000
     11      12.2119      0.00000
     12      12.8431      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2       0.3198      2.00000
      3       2.8149      2.00000
      4       5.0253      1.99999
      5       5.9569      1.90569
      6       7.8085      0.00000
      7       8.1022      0.00000
      8       9.7715      0.00000
      9      10.5941      0.00000
     10      11.1244      0.00000
     11      12.1665      0.00000
     12      12.9243      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6689      2.00000
      2       0.5801      2.00000
      3       1.9162      2.00000
      4       4.2071      2.00000
      5       6.2917      0.83071
      6       8.1243      0.00000
      7       8.4271      0.00000
      8       9.6661      0.00000
      9      10.1326      0.00000
     10      11.5175      0.00000
     11      11.9896      0.00000
     12      12.5014      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2474      2.00000
      2       0.7156      2.00000
      3       1.2962      2.00000
      4       3.5181      2.00000
      5       6.7069      0.02211
      6       8.5008      0.00000
      7       8.7279      0.00000
      8       8.9475      0.00000
      9      10.1850      0.00000
     10      11.0392      0.00000
     11      11.1881      0.00000
     12      13.5218      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8326      2.00000
      2       0.3260      2.00000
      3       1.3437      2.00000
      4       3.0670      2.00000
      5       7.1328      0.00032
      6       8.2032      0.00000
      7       8.8485      0.00000
      8       9.2153      0.00000
      9       9.9474      0.00000
     10      10.6165      0.00000
     11      10.8981      0.00000
     12      13.4407      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1180      2.00000
      2      -0.6076      2.00000
      3       5.9451      1.91572
      4       5.9500      1.91174
      5       7.0422      0.00078
      6       7.0467      0.00075
      7       7.4094      0.00002
      8       7.4182      0.00002
      9       8.1038      0.00000
     10      11.2745      0.00000
     11      14.1675      0.00000
     12      14.5261      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0654      2.00000
      2      -0.5649      2.00000
      3       5.2539      1.99991
      4       5.9937      1.86655
      5       6.3388      0.61463
      6       7.0913      0.00048
      7       7.6126      0.00000
      8       8.1197      0.00000
      9       8.6764      0.00000
     10      11.4468      0.00000
     11      13.1106      0.00000
     12      14.1399      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9079      2.00000
      2      -0.4384      2.00000
      3       4.1863      2.00000
      4       5.4052      1.99960
      5       6.1392      1.53120
      6       7.2382      0.00011
      7       7.7954      0.00000
      8       8.9611      0.00000
      9       9.8313      0.00000
     10      11.9852      0.00000
     11      11.9900      0.00000
     12      13.4138      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6469      2.00000
      2      -0.2340      2.00000
      3       3.1485      2.00000
      4       4.5153      2.00000
      5       6.3805      0.45240
      6       7.4801      0.00001
      7       8.0561      0.00000
      8       9.4675      0.00000
      9      10.9552      0.00000
     10      11.2564      0.00000
     11      12.3623      0.00000
     12      12.4844      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2854      2.00000
      2       0.0336      2.00000
      3       2.1931      2.00000
      4       3.7194      2.00000
      5       6.7149      0.02042
      6       7.8096      0.00000
      7       8.4092      0.00000
      8       9.7671      0.00000
      9      10.0280      0.00000
     10      11.4207      0.00000
     11      11.6703      0.00000
     12      12.7947      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8332      2.00000
      2       0.3258      2.00000
      3       1.3442      2.00000
      4       3.0674      2.00000
      5       7.1322      0.00032
      6       8.2031      0.00000
      7       8.8479      0.00000
      8       9.2156      0.00000
      9       9.9476      0.00000
     10      10.6172      0.00000
     11      10.8985      0.00000
     12      13.4416      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3476      2.00000
      2       0.5046      2.00000
      3       0.7064      2.00000
      4       2.6607      2.00000
      5       7.5705      0.00000
      6       8.5313      0.00000
      7       8.6116      0.00000
      8       9.3198      0.00000
      9      10.0083      0.00000
     10      10.0517      0.00000
     11      10.2853      0.00000
     12      13.3353      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5256      2.00000
      2       3.5627      2.00000
      3       3.8377      2.00000
      4       4.4314      2.00000
      5       5.9369      1.92213
      6       6.5031      0.15807
      7       7.9535      0.00000
      8      10.8358      0.00000
      9      11.4764      0.00000
     10      11.8610      0.00000
     11      12.3605      0.00000
     12      12.8507      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4762      2.00000
      2       3.6135      2.00000
      3       3.6167      2.00000
      4       4.0641      2.00000
      5       6.5534      0.09860
      6       6.5585      0.09400
      7       8.0787      0.00000
      8      10.7466      0.00000
      9      10.7493      0.00000
     10      11.3242      0.00000
     11      12.6486      0.00000
     12      13.3222      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3288      2.00000
      2       2.6842      2.00000
      3       3.7655      2.00000
      4       4.1227      2.00000
      5       6.7033      0.02290
      6       7.3000      0.00006
      7       8.6681      0.00000
      8       9.7006      0.00000
      9      10.0547      0.00000
     10      11.1908      0.00000
     11      12.2586      0.00000
     12      13.2431      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0865      2.00000
      2       1.7052      2.00000
      3       4.0178      2.00000
      4       4.3360      2.00000
      5       6.9460      0.00204
      6       7.5952      0.00000
      7       8.6979      0.00000
      8       9.0956      0.00000
      9       9.9755      0.00000
     10      11.3737      0.00000
     11      11.4262      0.00000
     12      12.7772      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7574      2.00000
      2       0.8050      2.00000
      3       4.3682      2.00000
      4       4.6338      2.00000
      5       7.2186      0.00013
      6       7.6016      0.00000
      7       7.8476      0.00000
      8       8.4799      0.00000
      9      10.5652      0.00000
     10      11.3396      0.00000
     11      11.6499      0.00000
     12      12.4240      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3660      2.00000
      2       0.0277      2.00000
      3       4.8097      2.00000
      4       4.9844      1.99999
      5       6.8240      0.00691
      6       7.2121      0.00014
      7       7.8632      0.00000
      8       8.3009      0.00000
      9       9.7563      0.00000
     10      11.6921      0.00000
     11      12.0870      0.00000
     12      13.2393      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0113      2.00000
      2      -0.5210      2.00000
      3       5.2895      1.99988
      4       5.2979      1.99986
      5       6.1694      1.41410
      6       6.7898      0.00971
      7       8.3193      0.00000
      8       8.3809      0.00000
      9       9.0273      0.00000
     10      11.5693      0.00000
     11      12.3684      0.00000
     12      13.8827      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3784      2.00000
      2       2.6447      2.00000
      3       3.8808      2.00000
      4       4.5780      2.00000
      5       6.1487      1.49623
      6       7.1322      0.00032
      7       8.6187      0.00000
      8       9.8272      0.00000
      9      10.5006      0.00000
     10      11.7951      0.00000
     11      11.8432      0.00000
     12      12.8821      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3289      2.00000
      2       2.6806      2.00000
      3       3.7678      2.00000
      4       4.1245      2.00000
      5       6.7070      0.02209
      6       7.2997      0.00006
      7       8.6635      0.00000
      8       9.6992      0.00000
      9      10.0539      0.00000
     10      11.1943      0.00000
     11      12.2582      0.00000
     12      13.2401      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1812      2.00000
      2       2.6341      2.00000
      3       3.0704      2.00000
      4       4.1447      2.00000
      5       7.0883      0.00049
      6       8.0905      0.00000
      7       8.7032      0.00000
      8       9.0986      0.00000
      9       9.8193      0.00000
     10      10.4926      0.00000
     11      12.4831      0.00000
     12      13.1078      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9382      2.00000
      2       1.8179      2.00000
      3       3.1487      2.00000
      4       4.3608      2.00000
      5       7.1877      0.00018
      6       8.0223      0.00000
      7       8.4993      0.00000
      8       9.1913      0.00000
      9       9.9026      0.00000
     10      10.6061      0.00000
     11      11.9352      0.00000
     12      13.1325      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6078      2.00000
      2       0.9331      2.00000
      3       3.4605      2.00000
      4       4.6646      2.00000
      5       6.7393      0.01604
      6       7.8622      0.00000
      7       8.0764      0.00000
      8       9.1135      0.00000
      9      10.5295      0.00000
     10      11.1510      0.00000
     11      11.7037      0.00000
     12      12.8248      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2137      2.00000
      2       0.1581      2.00000
      3       3.8530      2.00000
      4       5.0225      1.99999
      5       6.0478      1.78136
      6       7.3005      0.00006
      7       8.2580      0.00000
      8       9.2727      0.00000
      9      10.4514      0.00000
     10      10.9439      0.00000
     11      12.3376      0.00000
     12      13.1533      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8540      2.00000
      2      -0.3939      2.00000
      3       4.2312      2.00000
      4       5.2824      1.99988
      5       5.5663      1.99801
      6       6.8019      0.00861
      7       8.5627      0.00000
      8       9.4168      0.00000
      9       9.9399      0.00000
     10      11.2860      0.00000
     11      11.9808      0.00000
     12      13.0351      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1366      2.00000
      2       1.6602      2.00000
      3       4.1151      2.00000
      4       4.8212      2.00000
      5       6.3929      0.41045
      6       7.4361      0.00002
      7       8.8218      0.00000
      8       9.4706      0.00000
      9       9.8993      0.00000
     10      10.9726      0.00000
     11      12.0678      0.00000
     12      12.5078      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0868      2.00000
      2       1.7022      2.00000
      3       4.0199      2.00000
      4       4.3377      2.00000
      5       6.9494      0.00198
      6       7.5967      0.00000
      7       8.6971      0.00000
      8       9.0941      0.00000
      9       9.9691      0.00000
     10      11.3771      0.00000
     11      11.4265      0.00000
     12      12.7775      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9384      2.00000
      2       1.8152      2.00000
      3       3.1519      2.00000
      4       4.3606      2.00000
      5       7.1880      0.00018
      6       8.0234      0.00000
      7       8.5020      0.00000
      8       9.1900      0.00000
      9       9.9002      0.00000
     10      10.6055      0.00000
     11      11.9341      0.00000
     12      13.1364      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6940      2.00000
      2       1.8134      2.00000
      3       2.4045      2.00000
      4       4.5737      2.00000
      5       6.6603      0.03502
      6       7.9148      0.00000
      7       8.9570      0.00000
      8       9.4168      0.00000
      9       9.9118      0.00000
     10      10.6842      0.00000
     11      11.9751      0.00000
     12      12.8219      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3612      2.00000
      2       1.1242      2.00000
      3       2.5059      2.00000
      4       4.8518      2.00000
      5       5.9064      1.94204
      6       8.0933      0.00000
      7       8.3531      0.00000
      8       9.6011      0.00000
      9      10.3435      0.00000
     10      11.5416      0.00000
     11      11.7871      0.00000
     12      12.8225      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9624      2.00000
      2       0.3673      2.00000
      3       2.8562      2.00000
      4       4.9217      2.00000
      5       5.4887      1.99908
      6       7.5292      0.00001
      7       8.5233      0.00000
      8       9.9316      0.00000
      9      10.3437      0.00000
     10      11.2549      0.00000
     11      12.3452      0.00000
     12      12.8032      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5933      2.00000
      2      -0.1886      2.00000
      3       3.1960      2.00000
      4       4.5141      2.00000
      5       5.7237      1.99043
      6       6.9985      0.00121
      7       8.8233      0.00000
      8       9.9959      0.00000
      9      10.3143      0.00000
     10      11.2910      0.00000
     11      11.8065      0.00000
     12      13.0900      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7587      2.00000
      3       4.4442      2.00000
      4       5.1571      1.99997
      5       6.6819      0.02829
      6       7.5839      0.00000
      7       8.0346      0.00000
      8       8.5373      0.00000
      9      10.1192      0.00000
     10      11.3393      0.00000
     11      12.1180      0.00000
     12      12.3854      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7580      2.00000
      2       0.8026      2.00000
      3       4.3700      2.00000
      4       4.6353      2.00000
      5       7.2212      0.00013
      6       7.6028      0.00000
      7       7.8481      0.00000
      8       8.4803      0.00000
      9      10.5662      0.00000
     10      11.3340      0.00000
     11      11.6507      0.00000
     12      12.4245      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6083      2.00000
      2       0.9308      2.00000
      3       3.4636      2.00000
      4       4.6642      2.00000
      5       6.7402      0.01589
      6       7.8612      0.00000
      7       8.0769      0.00000
      8       9.1178      0.00000
      9      10.5318      0.00000
     10      11.1499      0.00000
     11      11.6970      0.00000
     12      12.8281      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       1.1224      2.00000
      3       2.5082      2.00000
      4       4.8516      2.00000
      5       5.9068      1.94176
      6       8.0924      0.00000
      7       8.3522      0.00000
      8       9.6031      0.00000
      9      10.3488      0.00000
     10      11.5400      0.00000
     11      11.7826      0.00000
     12      12.8235      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0244      2.00000
      2       1.1882      2.00000
      3       1.8367      2.00000
      4       4.8116      2.00000
      5       5.4345      1.99947
      6       8.4055      0.00000
      7       8.4259      0.00000
      8       8.9547      0.00000
      9      11.1891      0.00000
     10      11.8088      0.00000
     11      12.0774      0.00000
     12      12.1157      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6175      2.00000
      2       0.6297      2.00000
      3       1.9593      2.00000
      4       4.2138      2.00000
      5       5.7018      1.99231
      6       7.8216      0.00000
      7       8.8220      0.00000
      8       9.0851      0.00000
      9      10.8211      0.00000
     10      11.4646      0.00000
     11      12.1826      0.00000
     12      12.6125      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2322      2.00000
      2       0.0806      2.00000
      3       2.2421      2.00000
      4       3.7359      2.00000
      5       6.0554      1.76596
      6       7.2803      0.00007
      7       9.1594      0.00000
      8       9.3741      0.00000
      9      10.3082      0.00000
     10      11.0849      0.00000
     11      12.4044      0.00000
     12      12.8558      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4180      2.00000
      2      -0.0181      2.00000
      3       4.8485      2.00000
      4       5.5734      1.99787
      5       6.7524      0.01409
      6       7.4484      0.00001
      7       7.7212      0.00000
      8       7.8876      0.00000
      9       9.3439      0.00000
     10      11.6178      0.00000
     11      12.7657      0.00000
     12      13.0857      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3670      2.00000
      2       0.0260      2.00000
      3       4.8112      2.00000
      4       4.9856      1.99999
      5       6.8246      0.00687
      6       7.2128      0.00014
      7       7.8660      0.00000
      8       8.3024      0.00000
      9       9.7580      0.00000
     10      11.6940      0.00000
     11      12.0886      0.00000
     12      13.2306      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       0.1565      2.00000
      3       3.8558      2.00000
      4       5.0218      1.99999
      5       6.0492      1.77861
      6       7.2993      0.00006
      7       8.2577      0.00000
      8       9.2774      0.00000
      9      10.4529      0.00000
     10      10.9466      0.00000
     11      12.3405      0.00000
     12      13.1470      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9631      2.00000
      2       0.3659      2.00000
      3       2.8583      2.00000
      4       4.9223      2.00000
      5       5.4885      1.99909
      6       7.5280      0.00001
      7       8.5228      0.00000
      8       9.9333      0.00000
      9      10.3462      0.00000
     10      11.2590      0.00000
     11      12.3467      0.00000
     12      12.8039      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6179      2.00000
      2       0.6287      2.00000
      3       1.9607      2.00000
      4       4.2144      2.00000
      5       5.7014      1.99234
      6       7.8206      0.00000
      7       8.8218      0.00000
      8       9.0862      0.00000
      9      10.8209      0.00000
     10      11.4658      0.00000
     11      12.1840      0.00000
     12      12.6182      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1961      2.00000
      2       0.7680      2.00000
      3       1.3404      2.00000
      4       3.5391      2.00000
      5       6.0848      1.69812
      6       8.0151      0.00000
      7       8.4371      0.00000
      8       9.2149      0.00000
      9      10.6953      0.00000
     10      10.9767      0.00000
     11      11.7555      0.00000
     12      13.9504      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7805      2.00000
      2       0.3754      2.00000
      3       1.3943      2.00000
      4       3.0886      2.00000
      5       6.4758      0.20258
      6       7.6010      0.00000
      7       8.5594      0.00000
      8       9.5834      0.00000
      9      10.1444      0.00000
     10      10.7925      0.00000
     11      11.6488      0.00000
     12      13.8577      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0654      2.00000
      2      -0.5650      2.00000
      3       5.2493      1.99992
      4       5.9985      1.86045
      5       6.3356      0.62846
      6       7.0959      0.00046
      7       7.6185      0.00000
      8       8.1164      0.00000
      9       8.6731      0.00000
     10      11.4457      0.00000
     11      13.1105      0.00000
     12      14.1421      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0128      2.00000
      2      -0.5221      2.00000
      3       5.2896      1.99987
      4       5.2994      1.99986
      5       6.1705      1.40966
      6       6.7909      0.00960
      7       8.3208      0.00000
      8       8.3835      0.00000
      9       9.0295      0.00000
     10      11.5710      0.00000
     11      12.3711      0.00000
     12      13.8854      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8554      2.00000
      2      -0.3949      2.00000
      3       4.2336      2.00000
      4       5.2832      1.99988
      5       5.5661      1.99802
      6       6.8014      0.00865
      7       8.5614      0.00000
      8       9.4197      0.00000
      9       9.9447      0.00000
     10      11.2883      0.00000
     11      11.9842      0.00000
     12      13.0374      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5945      2.00000
      2      -0.1894      2.00000
      3       3.1978      2.00000
      4       4.5157      2.00000
      5       5.7226      1.99054
      6       6.9980      0.00122
      7       8.8221      0.00000
      8       9.9968      0.00000
      9      10.3157      0.00000
     10      11.2976      0.00000
     11      11.8091      0.00000
     12      13.0942      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2332      2.00000
      2       0.0801      2.00000
      3       2.2432      2.00000
      4       3.7369      2.00000
      5       6.0545      1.76787
      6       7.2799      0.00007
      7       9.1586      0.00000
      8       9.3749      0.00000
      9      10.3084      0.00000
     10      11.0864      0.00000
     11      12.4054      0.00000
     12      12.8633      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7811      2.00000
      2       0.3752      2.00000
      3       1.3948      2.00000
      4       3.0890      2.00000
      5       6.4753      0.20361
      6       7.6010      0.00000
      7       8.5597      0.00000
      8       9.5828      0.00000
      9      10.1446      0.00000
     10      10.7930      0.00000
     11      11.6491      0.00000
     12      13.8587      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2956      2.00000
      2       0.5570      2.00000
      3       0.7574      2.00000
      4       2.6815      2.00000
      5       6.9204      0.00264
      6       7.8182      0.00000
      7       7.9642      0.00000
      8       9.7157      0.00000
      9      10.0878      0.00000
     10      10.8057      0.00000
     11      11.0556      0.00000
     12      13.7177      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2309      2.00000
      2       2.5804      2.00000
      3       3.0704      2.00000
      4       4.7247      2.00000
      5       6.4131      0.34843
      6       8.0455      0.00000
      7       8.6503      0.00000
      8       9.1574      0.00000
      9      10.4981      0.00000
     10      10.8474      0.00000
     11      11.8490      0.00000
     12      12.6357      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1813      2.00000
      2       2.6319      2.00000
      3       3.0694      2.00000
      4       4.1485      2.00000
      5       7.0935      0.00047
      6       8.0865      0.00000
      7       8.6995      0.00000
      8       9.0976      0.00000
      9       9.8215      0.00000
     10      10.4940      0.00000
     11      12.4862      0.00000
     12      13.1117      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0332      2.00000
      2       2.7864      2.00000
      3       2.7891      2.00000
      4       3.5483      2.00000
      5       8.1595      0.00000
      6       8.1636      0.00000
      7       8.8449      0.00000
      8       8.8537      0.00000
      9       8.8541      0.00000
     10      10.1790      0.00000
     11      13.0591      0.00000
     12      13.7803      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7896      2.00000
      2       1.9423      2.00000
      3       3.0429      2.00000
      4       3.6093      2.00000
      5       7.6325      0.00000
      6       7.9958      0.00000
      7       8.6145      0.00000
      8       9.0817      0.00000
      9       9.3090      0.00000
     10      10.6008      0.00000
     11      12.7745      0.00000
     12      13.6565      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4580      2.00000
      2       1.0647      2.00000
      3       3.3998      2.00000
      4       3.8494      2.00000
      5       6.7349      0.01675
      6       7.3073      0.00006
      7       8.9217      0.00000
      8       9.3953      0.00000
      9       9.6687      0.00000
     10      11.8384      0.00000
     11      12.0269      0.00000
     12      12.9297      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0615      2.00000
      2       0.2907      2.00000
      3       3.8515      2.00000
      4       4.1385      2.00000
      5       5.9004      1.94529
      6       6.6903      0.02605
      7       9.3576      0.00000
      8       9.6938      0.00000
      9       9.9388      0.00000
     10      11.2564      0.00000
     11      12.1552      0.00000
     12      12.9827      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6970      2.00000
      2      -0.2649      2.00000
      3       4.3631      2.00000
      4       4.3694      2.00000
      5       5.1947      1.99995
      6       6.2903      0.83732
      7       9.8290      0.00000
      8       9.8846      0.00000
      9      10.2701      0.00000
     10      10.5553      0.00000
     11      11.5928      0.00000
     12      12.9154      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9883      2.00000
      2       1.7700      2.00000
      3       3.1263      2.00000
      4       4.9677      1.99999
      5       6.5713      0.08315
      6       7.9147      0.00000
      7       8.5944      0.00000
      8       9.6076      0.00000
      9      10.0270      0.00000
     10      10.9327      0.00000
     11      11.3357      0.00000
     12      12.6410      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9385      2.00000
      2       1.8149      2.00000
      3       3.1488      2.00000
      4       4.3646      2.00000
      5       7.1911      0.00018
      6       8.0220      0.00000
      7       8.4993      0.00000
      8       9.1910      0.00000
      9       9.9002      0.00000
     10      10.6059      0.00000
     11      11.9377      0.00000
     12      13.1368      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7898      2.00000
      2       1.9396      2.00000
      3       3.0448      2.00000
      4       3.6105      2.00000
      5       7.6318      0.00000
      6       7.9958      0.00000
      7       8.6180      0.00000
      8       9.0849      0.00000
      9       9.3072      0.00000
     10      10.5967      0.00000
     11      12.7749      0.00000
     12      13.6573      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5449      2.00000
      2       1.9690      2.00000
      3       2.4558      2.00000
      4       3.6319      2.00000
      5       6.8652      0.00458
      6       7.9178      0.00000
      7       8.5399      0.00000
      8       9.1001      0.00000
      9      10.0719      0.00000
     10      10.9339      0.00000
     11      13.0667      0.00000
     12      13.0740      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2110      2.00000
      2       1.2643      2.00000
      3       2.6062      2.00000
      4       3.8885      2.00000
      5       6.0121      1.84168
      6       7.3192      0.00005
      7       8.6485      0.00000
      8       9.4155      0.00000
      9      10.6295      0.00000
     10      11.8701      0.00000
     11      12.3521      0.00000
     12      12.6885      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8100      2.00000
      2       0.5042      2.00000
      3       2.9796      2.00000
      4       4.1979      2.00000
      5       5.2617      1.99991
      6       6.6658      0.03317
      7       8.9725      0.00000
      8       9.7748      0.00000
      9      10.8994      0.00000
     10      11.3855      0.00000
     11      12.0345      0.00000
     12      13.5868      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4365      2.00000
      2      -0.0559      2.00000
      3       3.3421      2.00000
      4       4.4072      2.00000
      5       4.7658      2.00000
      6       6.2230      1.17075
      7       9.2550      0.00000
      8      10.1358      0.00000
      9      10.8083      0.00000
     10      11.1124      0.00000
     11      11.5720      0.00000
     12      13.5020      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6586      2.00000
      2       0.8857      2.00000
      3       3.4292      2.00000
      4       5.3035      1.99986
      5       6.4584      0.23648
      6       7.4688      0.00001
      7       8.6811      0.00000
      8       8.8192      0.00000
      9      10.6528      0.00000
     10      11.2463      0.00000
     11      11.4934      0.00000
     12      12.5278      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6084      2.00000
      2       0.9307      2.00000
      3       3.4602      2.00000
      4       4.6682      2.00000
      5       6.7384      0.01619
      6       7.8666      0.00000
      7       8.0783      0.00000
      8       9.1134      0.00000
      9      10.5325      0.00000
     10      11.1527      0.00000
     11      11.6964      0.00000
     12      12.8246      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4585      2.00000
      2       1.0625      2.00000
      3       3.4014      2.00000
      4       3.8505      2.00000
      5       6.7345      0.01682
      6       7.3073      0.00006
      7       8.9253      0.00000
      8       9.3982      0.00000
      9       9.6704      0.00000
     10      11.8304      0.00000
     11      12.0282      0.00000
     12      12.9307      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2113      2.00000
      2       1.2623      2.00000
      3       2.6085      2.00000
      4       3.8883      2.00000
      5       6.0125      1.84109
      6       7.3179      0.00005
      7       8.6504      0.00000
      8       9.4157      0.00000
      9      10.6354      0.00000
     10      11.8654      0.00000
     11      12.3491      0.00000
     12      12.6888      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8735      2.00000
      2       1.3446      2.00000
      3       1.9431      2.00000
      4       4.1194      2.00000
      5       5.2393      1.99992
      6       7.3388      0.00004
      7       8.0493      0.00000
      8       9.7318      0.00000
      9      11.2780      0.00000
     10      11.8865      0.00000
     11      12.5421      0.00000
     12      12.7914      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4648      2.00000
      2       0.7743      2.00000
      3       2.0905      2.00000
      4       4.1381      2.00000
      5       4.8453      2.00000
      6       6.8531      0.00517
      7       8.1227      0.00000
      8      10.0398      0.00000
      9      10.6842      0.00000
     10      12.0009      0.00000
     11      12.8466      0.00000
     12      13.3150      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0758      2.00000
      2       0.2190      2.00000
      3       2.3918      2.00000
      4       3.7746      2.00000
      5       5.0141      1.99999
      6       6.3863      0.43234
      7       8.3416      0.00000
      8      10.0597      0.00000
      9      10.5414      0.00000
     10      11.6777      0.00000
     11      13.0083      0.00000
     12      13.6652      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2657      2.00000
      2       0.1115      2.00000
      3       3.8135      2.00000
      4       5.7194      1.99084
      5       5.9132      1.93808
      6       7.5831      0.00000
      7       7.8668      0.00000
      8       8.9557      0.00000
      9      10.1185      0.00000
     10      11.6311      0.00000
     11      12.2080      0.00000
     12      12.8444      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2147      2.00000
      2       0.1564      2.00000
      3       3.8522      2.00000
      4       5.0257      1.99999
      5       6.0469      1.78294
      6       7.3029      0.00006
      7       8.2632      0.00000
      8       9.2729      0.00000
      9      10.4536      0.00000
     10      10.9468      0.00000
     11      12.3373      0.00000
     12      13.1474      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0624      2.00000
      2       0.2891      2.00000
      3       3.8528      2.00000
      4       4.1392      2.00000
      5       5.9006      1.94521
      6       6.6907      0.02594
      7       9.3609      0.00000
      8       9.6961      0.00000
      9       9.9413      0.00000
     10      11.2584      0.00000
     11      12.1570      0.00000
     12      12.9809      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8107      2.00000
      2       0.5027      2.00000
      3       2.9818      2.00000
      4       4.1974      2.00000
      5       5.2624      1.99990
      6       6.6650      0.03342
      7       8.9743      0.00000
      8       9.7745      0.00000
      9      10.9055      0.00000
     10      11.3859      0.00000
     11      12.0362      0.00000
     12      13.5821      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4652      2.00000
      2       0.7732      2.00000
      3       2.0919      2.00000
      4       4.1384      2.00000
      5       4.8451      2.00000
      6       6.8524      0.00520
      7       8.1238      0.00000
      8      10.0396      0.00000
      9      10.6847      0.00000
     10      12.0026      0.00000
     11      12.8518      0.00000
     12      13.3144      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0426      2.00000
      2       0.9249      2.00000
      3       1.4709      2.00000
      4       3.5893      2.00000
      5       5.0883      1.99998
      6       6.9432      0.00210
      7       7.5410      0.00001
      8       9.8496      0.00000
      9      10.6263      0.00000
     10      12.2758      0.00000
     11      12.9059      0.00000
     12      14.0781      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6245      2.00000
      2       0.5227      2.00000
      3       1.5456      2.00000
      4       3.1489      2.00000
      5       5.4304      1.99949
      6       6.6099      0.05729
      7       7.5323      0.00001
      8       9.4962      0.00000
      9      10.9399      0.00000
     10      11.9956      0.00000
     11      12.9252      0.00000
     12      14.5577      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9081      2.00000
      2      -0.4386      2.00000
      3       4.1823      2.00000
      4       5.4024      1.99961
      5       6.1438      1.51419
      6       7.2426      0.00011
      7       7.8018      0.00000
      8       8.9620      0.00000
      9       9.8245      0.00000
     10      11.9859      0.00000
     11      11.9864      0.00000
     12      13.4141      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8556      2.00000
      2      -0.3951      2.00000
      3       4.2297      2.00000
      4       5.2834      1.99988
      5       5.5680      1.99798
      6       6.8045      0.00839
      7       8.5680      0.00000
      8       9.4190      0.00000
      9       9.9397      0.00000
     10      11.2887      0.00000
     11      11.9818      0.00000
     12      13.0373      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6984      2.00000
      2      -0.2659      2.00000
      3       4.3633      2.00000
      4       4.3703      2.00000
      5       5.1955      1.99995
      6       6.2912      0.83300
      7       9.8309      0.00000
      8       9.8876      0.00000
      9      10.2723      0.00000
     10      10.5579      0.00000
     11      11.5953      0.00000
     12      12.9170      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4377      2.00000
      2      -0.0568      2.00000
      3       3.3439      2.00000
      4       4.4078      2.00000
      5       4.7654      2.00000
      6       6.2229      1.17133
      7       9.2566      0.00000
      8      10.1347      0.00000
      9      10.8092      0.00000
     10      11.1165      0.00000
     11      11.5773      0.00000
     12      13.5060      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0768      2.00000
      2       0.2185      2.00000
      3       2.3929      2.00000
      4       3.7755      2.00000
      5       5.0132      1.99999
      6       6.3862      0.43283
      7       8.3426      0.00000
      8      10.0606      0.00000
      9      10.5406      0.00000
     10      11.6786      0.00000
     11      13.0157      0.00000
     12      13.6663      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6251      2.00000
      2       0.5225      2.00000
      3       1.5461      2.00000
      4       3.1494      2.00000
      5       5.4298      1.99949
      6       6.6100      0.05723
      7       7.5326      0.00001
      8       9.4966      0.00000
      9      10.9393      0.00000
     10      11.9960      0.00000
     11      12.9255      0.00000
     12      14.5650      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1397      2.00000
      2       0.7141      2.00000
      3       0.9100      2.00000
      4       2.7413      2.00000
      5       5.8766      1.95663
      6       6.7439      0.01532
      7       6.9302      0.00239
      8       9.1440      0.00000
      9      11.3857      0.00000
     10      12.1297      0.00000
     11      12.3486      0.00000
     12      14.6334      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7444      2.00000
      2       1.7595      2.00000
      3       2.3752      2.00000
      4       5.2105      1.99994
      5       6.3592      0.53139
      6       7.4642      0.00001
      7       9.7131      0.00000
      8       9.7358      0.00000
      9      10.0235      0.00000
     10      10.3522      0.00000
     11      11.2986      0.00000
     12      12.4497      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6944      2.00000
      2       1.8115      2.00000
      3       2.4033      2.00000
      4       4.5776      2.00000
      5       6.6590      0.03547
      6       7.9196      0.00000
      7       8.9592      0.00000
      8       9.4185      0.00000
      9       9.9077      0.00000
     10      10.6819      0.00000
     11      11.9794      0.00000
     12      12.8256      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5451      2.00000
      2       1.9672      2.00000
      3       2.4551      2.00000
      4       3.6347      2.00000
      5       6.8631      0.00468
      6       7.9197      0.00000
      7       8.5421      0.00000
      8       9.1052      0.00000
      9      10.0674      0.00000
     10      10.9313      0.00000
     11      13.0704      0.00000
     12      13.0750      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2991      2.00000
      2       2.2259      2.00000
      3       2.2281      2.00000
      4       3.0644      2.00000
      5       6.8990      0.00327
      6       6.9008      0.00321
      7       7.9365      0.00000
      8      10.3164      0.00000
      9      10.3223      0.00000
     10      11.1711      0.00000
     11      12.3430      0.00000
     12      13.7445      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9633      2.00000
      2       1.4829      2.00000
      3       2.5858      2.00000
      4       3.1528      2.00000
      5       5.9568      1.90583
      6       6.5461      0.10573
      7       7.8192      0.00000
      8      10.6600      0.00000
      9      10.8588      0.00000
     10      11.3756      0.00000
     11      12.5476      0.00000
     12      13.5724      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5583      2.00000
      2       0.7255      2.00000
      3       3.0418      2.00000
      4       3.3932      2.00000
      5       5.1072      1.99998
      6       6.0272      1.81824
      7       8.0346      0.00000
      8      10.4498      0.00000
      9      11.0949      0.00000
     10      11.5087      0.00000
     11      12.9345      0.00000
     12      13.9425      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1766      2.00000
      2       0.1595      2.00000
      3       3.5599      2.00000
      4       3.5900      2.00000
      5       4.3913      2.00000
      6       5.6732      1.99422
      7       8.2582      0.00000
      8      10.0641      0.00000
      9      11.6017      0.00000
     10      11.6311      0.00000
     11      12.2861      0.00000
     12      14.0113      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0743      2.00000
      3       2.4675      2.00000
      4       5.5460      1.99838
      5       5.7112      1.99156
      6       7.5463      0.00001
      7       8.9146      0.00000
      8      10.0116      0.00000
      9      10.2119      0.00000
     10      11.0965      0.00000
     11      11.4309      0.00000
     12      12.6294      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1218      2.00000
      3       2.5055      2.00000
      4       4.8551      2.00000
      5       5.9051      1.94276
      6       8.0981      0.00000
      7       8.3558      0.00000
      8       9.6043      0.00000
      9      10.3434      0.00000
     10      11.5429      0.00000
     11      11.7830      0.00000
     12      12.8258      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2115      2.00000
      2       1.2620      2.00000
      3       2.6060      2.00000
      4       3.8913      2.00000
      5       6.0106      1.84396
      6       7.3206      0.00005
      7       8.6514      0.00000
      8       9.4216      0.00000
      9      10.6286      0.00000
     10      11.8656      0.00000
     11      12.3515      0.00000
     12      12.6907      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9636      2.00000
      2       1.4809      2.00000
      3       2.5872      2.00000
      4       3.1535      2.00000
      5       5.9561      1.90645
      6       6.5463      0.10555
      7       7.8209      0.00000
      8      10.6641      0.00000
      9      10.8610      0.00000
     10      11.3742      0.00000
     11      12.5419      0.00000
     12      13.5737      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6243      2.00000
      2       1.6044      2.00000
      3       2.0821      2.00000
      4       3.2279      2.00000
      5       5.3112      1.99984
      6       6.3071      0.75720
      7       7.2565      0.00009
      8      10.3487      0.00000
      9      11.2283      0.00000
     10      12.2132      0.00000
     11      13.0120      0.00000
     12      13.9510      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2126      2.00000
      2       1.0103      2.00000
      3       2.2960      2.00000
      4       3.5082      2.00000
      5       4.5842      2.00000
      6       5.9188      1.93463
      7       7.2068      0.00015
      8       9.7511      0.00000
      9      11.6148      0.00000
     10      12.7713      0.00000
     11      13.6218      0.00000
     12      14.2432      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8165      2.00000
      2       0.4449      2.00000
      3       2.6378      2.00000
      4       3.7131      2.00000
      5       4.0842      2.00000
      6       5.5497      1.99831
      7       7.3389      0.00004
      8       9.3720      0.00000
      9      11.9784      0.00000
     10      12.8740      0.00000
     11      13.3015      0.00000
     12      14.9056      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3194      2.00000
      3       2.8119      2.00000
      4       5.0230      1.99999
      5       5.9614      1.90159
      6       7.8143      0.00000
      7       8.1064      0.00000
      8       9.7737      0.00000
      9      10.5955      0.00000
     10      11.1183      0.00000
     11      12.1690      0.00000
     12      12.9255      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9634      2.00000
      2       0.3655      2.00000
      3       2.8553      2.00000
      4       4.9218      2.00000
      5       5.4908      1.99906
      6       7.5317      0.00001
      7       8.5288      0.00000
      8       9.9349      0.00000
      9      10.3462      0.00000
     10      11.2553      0.00000
     11      12.3470      0.00000
     12      12.8063      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8109      2.00000
      2       0.5025      2.00000
      3       2.9790      2.00000
      4       4.2002      2.00000
      5       5.2610      1.99991
      6       6.6675      0.03262
      7       8.9750      0.00000
      8       9.7811      0.00000
      9      10.8994      0.00000
     10      11.3880      0.00000
     11      12.0366      0.00000
     12      13.5800      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5590      2.00000
      2       0.7240      2.00000
      3       3.0429      2.00000
      4       3.3936      2.00000
      5       5.1071      1.99998
      6       6.0276      1.81765
      7       8.0364      0.00000
      8      10.4513      0.00000
      9      11.0987      0.00000
     10      11.5109      0.00000
     11      12.9368      0.00000
     12      13.9345      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2130      2.00000
      2       1.0092      2.00000
      3       2.2974      2.00000
      4       3.5079      2.00000
      5       4.5844      2.00000
      6       5.9184      1.93485
      7       7.2078      0.00015
      8       9.7517      0.00000
      9      11.6146      0.00000
     10      12.7774      0.00000
     11      13.6225      0.00000
     12      14.2366      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7886      2.00000
      2       1.1854      2.00000
      3       1.6798      2.00000
      4       3.5574      2.00000
      5       4.2324      2.00000
      6       5.9065      1.94194
      7       6.6360      0.04441
      8       9.1737      0.00000
      9      12.0192      0.00000
     10      13.6303      0.00000
     11      14.2015      0.00000
     12      14.3557      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3658      2.00000
      2       0.7648      2.00000
      3       1.7956      2.00000
      4       3.2301      2.00000
      5       4.4140      2.00000
      6       5.6388      1.99590
      7       6.5259      0.12792
      8       8.8321      0.00000
      9      12.4000      0.00000
     10      13.3735      0.00000
     11      14.3278      0.00000
     12      14.8136      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6472      2.00000
      2      -0.2345      2.00000
      3       3.1453      2.00000
      4       4.5130      2.00000
      5       6.3850      0.43686
      6       7.4843      0.00001
      7       8.0624      0.00000
      8       9.4709      0.00000
      9      10.9566      0.00000
     10      11.2481      0.00000
     11      12.3635      0.00000
     12      12.4869      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5948      2.00000
      2      -0.1897      2.00000
      3       3.1945      2.00000
      4       4.5137      2.00000
      5       5.7267      1.99014
      6       7.0015      0.00117
      7       8.8287      0.00000
      8      10.0004      0.00000
      9      10.3171      0.00000
     10      11.2897      0.00000
     11      11.8089      0.00000
     12      13.0920      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4379      2.00000
      2      -0.0570      2.00000
      3       3.3407      2.00000
      4       4.4079      2.00000
      5       4.7673      2.00000
      6       6.2250      1.16115
      7       9.2573      0.00000
      8      10.1419      0.00000
      9      10.8118      0.00000
     10      11.1143      0.00000
     11      11.5719      0.00000
     12      13.5023      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1778      2.00000
      2       0.1586      2.00000
      3       3.5604      2.00000
      4       3.5901      2.00000
      5       4.3918      2.00000
      6       5.6740      1.99417
      7       8.2598      0.00000
      8      10.0659      0.00000
      9      11.6045      0.00000
     10      11.6341      0.00000
     11      12.2892      0.00000
     12      14.0135      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8174      2.00000
      2       0.4443      2.00000
      3       2.6389      2.00000
      4       3.7134      2.00000
      5       4.0837      2.00000
      6       5.5498      1.99831
      7       7.3398      0.00004
      8       9.3730      0.00000
      9      11.9775      0.00000
     10      12.8765      0.00000
     11      13.3079      0.00000
     12      14.9098      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3664      2.00000
      2       0.7646      2.00000
      3       1.7961      2.00000
      4       3.2305      2.00000
      5       4.4134      2.00000
      6       5.6390      1.99589
      7       6.5262      0.12753
      8       8.8324      0.00000
      9      12.3994      0.00000
     10      13.3740      0.00000
     11      14.3282      0.00000
     12      14.8210      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1191      2.00000
      2       0.9751      2.00000
      3       1.1622      2.00000
      4       2.8311      2.00000
      5       4.8523      2.00000
      6       5.7051      1.99205
      7       5.9165      1.93602
      8       8.5244      0.00000
      9      12.8475      0.00000
     10      13.5716      0.00000
     11      13.7771      0.00000
     12      15.8077      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0756      2.00000
      2       1.1342      2.00000
      3       1.7980      2.00000
      4       4.9110      2.00000
      5       5.8810      1.95472
      6       7.8044      0.00000
      7       9.1239      0.00000
      8       9.3957      0.00000
      9      10.4758      0.00000
     10      11.3213      0.00000
     11      11.9534      0.00000
     12      12.7746      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0250      2.00000
      2       1.1864      2.00000
      3       1.8355      2.00000
      4       4.8114      2.00000
      5       5.4367      1.99946
      6       8.4082      0.00000
      7       8.4318      0.00000
      8       8.9574      0.00000
      9      11.1920      0.00000
     10      11.8104      0.00000
     11      12.0743      0.00000
     12      12.1167      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8740      2.00000
      2       1.3429      2.00000
      3       1.9421      2.00000
      4       4.1219      2.00000
      5       5.2381      1.99993
      6       7.3410      0.00004
      7       8.0513      0.00000
      8       9.7384      0.00000
      9      11.2789      0.00000
     10      11.8830      0.00000
     11      12.5407      0.00000
     12      12.7951      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6246      2.00000
      2       1.6029      2.00000
      3       2.0816      2.00000
      4       3.2299      2.00000
      5       5.3099      1.99985
      6       6.3086      0.75004
      7       7.2575      0.00009
      8      10.3498      0.00000
      9      11.2347      0.00000
     10      12.2085      0.00000
     11      13.0089      0.00000
     12      13.9551      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2826      2.00000
      2       1.9646      2.00000
      3       1.9662      2.00000
      4       2.6962      2.00000
      5       5.3554      1.99976
      6       5.3566      1.99976
      7       6.6488      0.03917
      8       9.6513      0.00000
      9      12.5614      0.00000
     10      12.5676      0.00000
     11      13.5054      0.00000
     12      14.7060      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8655      2.00000
      2       1.3219      2.00000
      3       2.4227      2.00000
      4       2.8157      2.00000
      5       4.5016      2.00000
      6       5.1996      1.99995
      7       6.4036      0.37678
      8       9.0737      0.00000
      9      12.9874      0.00000
     10      13.3074      0.00000
     11      14.6448      0.00000
     12      14.6791      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4572      2.00000
      2       0.7470      2.00000
      3       2.9424      2.00000
      4       2.9952      2.00000
      5       3.7826      2.00000
      6       4.9657      2.00000
      7       6.4157      0.34108
      8       8.7340      0.00000
      9      13.4639      0.00000
     10      13.5735      0.00000
     11      14.1432      0.00000
     12      15.4892      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6695      2.00000
      2       0.5792      2.00000
      3       1.9138      2.00000
      4       4.2054      2.00000
      5       6.2959      0.81042
      6       8.1301      0.00000
      7       8.4310      0.00000
      8       9.6682      0.00000
      9      10.1372      0.00000
     10      11.5210      0.00000
     11      11.9916      0.00000
     12      12.4931      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6184      2.00000
      2       0.6279      2.00000
      3       1.9584      2.00000
      4       4.2128      2.00000
      5       5.7051      1.99205
      6       7.8241      0.00000
      7       8.8276      0.00000
      8       9.0883      0.00000
      9      10.8256      0.00000
     10      11.4673      0.00000
     11      12.1869      0.00000
     12      12.6109      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7726      2.00000
      3       2.0897      2.00000
      4       4.1383      2.00000
      5       4.8469      2.00000
      6       6.8551      0.00507
      7       8.1251      0.00000
      8      10.0458      0.00000
      9      10.6866      0.00000
     10      12.0048      0.00000
     11      12.8463      0.00000
     12      13.3182      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2132      2.00000
      2       1.0088      2.00000
      3       2.2955      2.00000
      4       3.5099      2.00000
      5       4.5836      2.00000
      6       5.9201      1.93380
      7       7.2084      0.00015
      8       9.7524      0.00000
      9      11.6218      0.00000
     10      12.7711      0.00000
     11      13.6255      0.00000
     12      14.2373      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8659      2.00000
      2       1.3207      2.00000
      3       2.4236      2.00000
      4       2.8159      2.00000
      5       4.5012      2.00000
      6       5.2001      1.99995
      7       6.4044      0.37430
      8       9.0743      0.00000
      9      12.9916      0.00000
     10      13.3095      0.00000
     11      14.6470      0.00000
     12      14.6712      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4385      2.00000
      2       1.5479      2.00000
      3       1.9401      2.00000
      4       2.9884      2.00000
      5       4.0276      2.00000
      6       4.9513      2.00000
      7       5.8211      1.97488
      8       8.5475      0.00000
      9      13.5367      0.00000
     10      14.5158      0.00000
     11      15.1234      0.00000
     12      15.2208      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0072      2.00000
      2       1.0936      2.00000
      3       2.1387      2.00000
      4       3.2182      2.00000
      5       3.5681      2.00000
      6       4.7727      2.00000
      7       5.6003      1.99721
      8       8.2510      0.00000
      9      13.9412      0.00000
     10      14.7585      0.00000
     11      15.1591      0.00000
     12      15.7483      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2860      2.00000
      2       0.0328      2.00000
      3       2.1904      2.00000
      4       3.7179      2.00000
      5       6.7191      0.01959
      6       7.8135      0.00000
      7       8.4154      0.00000
      8       9.7716      0.00000
      9      10.0301      0.00000
     10      11.4226      0.00000
     11      11.6744      0.00000
     12      12.7855      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2337      2.00000
      2       0.0794      2.00000
      3       2.2406      2.00000
      4       3.7354      2.00000
      5       6.0585      1.75962
      6       7.2833      0.00007
      7       9.1648      0.00000
      8       9.3770      0.00000
      9      10.3131      0.00000
     10      11.0880      0.00000
     11      12.4095      0.00000
     12      12.8541      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0772      2.00000
      2       0.2179      2.00000
      3       2.3904      2.00000
      4       3.7743      2.00000
      5       5.0165      1.99999
      6       6.3886      0.42455
      7       8.3439      0.00000
      8      10.0627      0.00000
      9      10.5472      0.00000
     10      11.6829      0.00000
     11      13.0066      0.00000
     12      13.6710      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8177      2.00000
      2       0.4439      2.00000
      3       2.6366      2.00000
      4       3.7137      2.00000
      5       4.0853      2.00000
      6       5.5512      1.99829
      7       7.3405      0.00004
      8       9.3737      0.00000
      9      11.9854      0.00000
     10      12.8785      0.00000
     11      13.3011      0.00000
     12      14.9067      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4581      2.00000
      2       0.7463      2.00000
      3       2.9427      2.00000
      4       2.9951      2.00000
      5       3.7829      2.00000
      6       4.9664      2.00000
      7       6.4166      0.33844
      8       8.7349      0.00000
      9      13.4675      0.00000
     10      13.5765      0.00000
     11      14.1468      0.00000
     12      15.4918      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0078      2.00000
      2       1.0933      2.00000
      3       2.1393      2.00000
      4       3.2183      2.00000
      5       3.5678      2.00000
      6       4.7730      2.00000
      7       5.6007      1.99720
      8       8.2513      0.00000
      9      13.9406      0.00000
     10      14.7601      0.00000
     11      15.1658      0.00000
     12      15.7490      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4781      2.00000
      2       1.3379      2.00000
      3       1.5088      2.00000
      4       2.9329      2.00000
      5       3.9103      2.00000
      6       4.7482      2.00000
      7       4.9835      1.99999
      8       7.9854      0.00000
      9      14.3870      0.00000
     10      15.0539      0.00000
     11      15.2617      0.00000
     12      16.3990      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2484      2.00000
      2       0.7140      2.00000
      3       1.2947      2.00000
      4       3.5170      2.00000
      5       6.7107      0.02129
      6       8.5064      0.00000
      7       8.7310      0.00000
      8       8.9507      0.00000
      9      10.1900      0.00000
     10      11.0437      0.00000
     11      11.1908      0.00000
     12      13.5239      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1970      2.00000
      2       0.7664      2.00000
      3       1.3390      2.00000
      4       3.5381      2.00000
      5       6.0883      1.68909
      6       8.0180      0.00000
      7       8.4399      0.00000
      8       9.2207      0.00000
      9      10.6981      0.00000
     10      10.9819      0.00000
     11      11.7600      0.00000
     12      13.9522      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0434      2.00000
      2       0.9233      2.00000
      3       1.4697      2.00000
      4       3.5885      2.00000
      5       5.0910      1.99998
      6       6.9455      0.00205
      7       7.5430      0.00001
      8       9.8521      0.00000
      9      10.6322      0.00000
     10      12.2815      0.00000
     11      12.9111      0.00000
     12      14.0723      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7893      2.00000
      2       1.1841      2.00000
      3       1.6788      2.00000
      4       3.5575      2.00000
      5       4.2336      2.00000
      6       5.9082      1.94100
      7       6.6373      0.04384
      8       9.1749      0.00000
      9      12.0265      0.00000
     10      13.6353      0.00000
     11      14.2064      0.00000
     12      14.3511      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4389      2.00000
      2       1.5468      2.00000
      3       1.9396      2.00000
      4       2.9897      2.00000
      5       4.0272      2.00000
      6       4.9523      2.00000
      7       5.8217      1.97473
      8       8.5480      0.00000
      9      13.5446      0.00000
     10      14.5119      0.00000
     11      15.1270      0.00000
     12      15.2179      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0051      2.00000
      2       2.0059      2.00000
      3       2.0069      2.00000
      4       2.4586      2.00000
      5       4.0939      2.00000
      6       4.0945      2.00000
      7       5.1643      1.99996
      8       8.0770      0.00000
      9      14.9604      0.00000
     10      14.9668      0.00000
     11      15.8106      0.00000
     12      15.9446      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4423      2.00000
      2       1.4848      2.00000
      3       2.5254      2.00000
      4       2.5925      2.00000
      5       3.3749      2.00000
      6       4.1206      2.00000
      7       4.7847      2.00000
      8       7.8202      0.00000
      9      15.4054      0.00000
     10      15.6079      0.00000
     11      15.9892      0.00000
     12      16.8446      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8341      2.00000
      2       0.3246      2.00000
      3       1.3421      2.00000
      4       3.0665      2.00000
      5       7.1361      0.00031
      6       8.2066      0.00000
      7       8.8537      0.00000
      8       9.2183      0.00000
      9       9.9525      0.00000
     10      10.6198      0.00000
     11      10.9032      0.00000
     12      13.4445      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7820      2.00000
      2       0.3740      2.00000
      3       1.3927      2.00000
      4       3.0882      2.00000
      5       6.4789      0.19709
      6       7.6041      0.00000
      7       8.5622      0.00000
      8       9.5889      0.00000
      9      10.1479      0.00000
     10      10.7974      0.00000
     11      11.6540      0.00000
     12      13.8619      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6259      2.00000
      2       0.5215      2.00000
      3       1.5442      2.00000
      4       3.1486      2.00000
      5       5.4329      1.99948
      6       6.6124      0.05593
      7       7.5345      0.00001
      8       9.4986      0.00000
      9      10.9461      0.00000
     10      12.0016      0.00000
     11      12.9310      0.00000
     12      14.5561      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3670      2.00000
      2       0.7638      2.00000
      3       1.7944      2.00000
      4       3.2300      2.00000
      5       4.4157      2.00000
      6       5.6406      1.99582
      7       6.5274      0.12608
      8       8.8336      0.00000
      9      12.4070      0.00000
     10      13.3801      0.00000
     11      14.3343      0.00000
     12      14.8114      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0081      2.00000
      2       1.0928      2.00000
      3       2.1378      2.00000
      4       3.2187      2.00000
      5       3.5688      2.00000
      6       4.7738      2.00000
      7       5.6012      1.99718
      8       8.2519      0.00000
      9      13.9490      0.00000
     10      14.7646      0.00000
     11      15.1576      0.00000
     12      15.7551      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4418      2.00000
      2       1.4844      2.00000
      3       2.5257      2.00000
      4       2.5923      2.00000
      5       3.3751      2.00000
      6       4.1212      2.00000
      7       4.7850      2.00000
      8       7.8205      0.00000
      9      15.4094      0.00000
     10      15.6101      0.00000
     11      15.9927      0.00000
     12      16.8565      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9298      2.00000
      2       1.7971      2.00000
      3       1.9332      2.00000
      4       2.9396      2.00000
      5       3.1597      2.00000
      6       3.8897      2.00000
      7       4.1575      2.00000
      8       7.5884      0.00000
      9      15.9382      0.00000
     10      16.4667      0.00000
     11      16.7198      0.00000
     12      16.8078      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3490      2.00000
      2       0.5030      2.00000
      3       0.7048      2.00000
      4       2.6604      2.00000
      5       7.5739      0.00000
      6       8.5345      0.00000
      7       8.6148      0.00000
      8       9.3252      0.00000
      9      10.0134      0.00000
     10      10.0550      0.00000
     11      10.2904      0.00000
     12      13.3392      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2969      2.00000
      2       0.5555      2.00000
      3       0.7559      2.00000
      4       2.6812      2.00000
      5       6.9236      0.00256
      6       7.8212      0.00000
      7       7.9671      0.00000
      8       9.7190      0.00000
      9      10.0933      0.00000
     10      10.8111      0.00000
     11      11.0608      0.00000
     12      13.7221      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1409      2.00000
      2       0.7127      2.00000
      3       0.9086      2.00000
      4       2.7411      2.00000
      5       5.8791      1.95554
      6       6.7463      0.01496
      7       6.9325      0.00234
      8       9.1462      0.00000
      9      11.3921      0.00000
     10      12.1357      0.00000
     11      12.3546      0.00000
     12      14.6387      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1180      2.00000
      2       0.9738      2.00000
      3       1.1609      2.00000
      4       2.8311      2.00000
      5       4.8542      2.00000
      6       5.7068      1.99191
      7       5.9181      1.93502
      8       8.5259      0.00000
      9      12.8547      0.00000
     10      13.5783      0.00000
     11      13.7838      0.00000
     12      15.8139      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4773      2.00000
      2       1.3369      2.00000
      3       1.5078      2.00000
      4       2.9331      2.00000
      5       3.9115      2.00000
      6       4.7493      2.00000
      7       4.9844      1.99999
      8       7.9862      0.00000
      9      14.3950      0.00000
     10      15.0610      0.00000
     11      15.2689      0.00000
     12      16.3925      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9293      2.00000
      2       1.7965      2.00000
      3       1.9326      2.00000
      4       2.9402      2.00000
      5       3.1602      2.00000
      6       3.8903      2.00000
      7       4.1579      2.00000
      8       7.5887      0.00000
      9      15.9463      0.00000
     10      16.4729      0.00000
     11      16.7268      0.00000
     12      16.8016      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4264      2.00000
      2       2.3156      2.00000
      3       2.3159      2.00000
      4       2.3713      2.00000
      5       3.1706      2.00000
      6       3.1708      2.00000
      7       3.4978      2.00000
      8       7.3767      0.00003
      9      17.2582      0.00000
     10      17.2646      0.00000
     11      17.4563      0.00000
     12      17.9829      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000   0.000
  5.264  22.370  -0.000  -0.000   0.000
 -0.000  -0.000  -0.285  -0.000  -0.000
 -0.000  -0.000  -0.000  -0.285   0.000
  0.000   0.000  -0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.076  -0.022   0.000   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1062: real time    0.1062
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.1946: real time    0.1946
    STRESS:  cpu time    2.3571: real time    2.3609
    FORCOR:  cpu time    0.0390: real time    0.0390
    FORHAR:  cpu time    0.0108: real time    0.0108
    MIXING:  cpu time    0.0043: real time    0.0043
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.34664   -72.35654   -72.35654     0.00000    -0.00000    -0.00000
  Hartree     1.13325     1.12954     1.12954    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42110   -27.42094   -27.42094     0.00000     0.00000    -0.00000
  Local      -3.99770    -3.98688    -3.98688    -0.00000    -0.00000    -0.00000
  n-local    58.90601    57.99721    59.81218     0.09928     0.25642     0.41425
  augment    -3.03497    -3.03477    -3.03477     0.00000     0.00000     0.00000
  Kinetic    46.88822    48.34758    45.40975    -1.28626    -3.61480    -5.95293
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.01383     0.00054     0.00054    -0.00000     0.00000     0.00000
  in kB       0.33940     0.01336     0.01336    -0.00000     0.00000     0.00000
  external pressure =        0.12 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.127E-15 0.164E-15 0.499E-16   -.305E-15 -.205E-15 0.217E-16   -.377E-25 0.608E-24 0.112E-23   0.112E-15 -.645E-16 -.499E-16
   -.881E-15 -.272E-13 0.235E-13   0.857E-15 0.847E-15 -.297E-15   -.467E-23 -.350E-24 -.935E-24   -.859E-15 0.524E-15 -.357E-15
   -.430E-15 0.938E-16 -.912E-13   0.467E-16 -.145E-14 0.278E-15   -.435E-23 0.108E-23 0.847E-24   -.863E-15 -.502E-15 0.398E-15
   0.112E-14 -.193E-14 -.376E-14   -.738E-15 0.737E-15 -.178E-15   -.872E-24 -.287E-23 -.258E-23   0.874E-15 0.487E-15 0.365E-15
 -----------------------------------------------------------------------------------------------
   -.617E-16 -.289E-13 -.714E-13   -.140E-15 -.674E-16 -.175E-15   -.993E-23 -.152E-23 -.155E-23   -.736E-15 0.445E-15 0.356E-15
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000      0.000000
      2.01274      2.01342      0.00000         0.000000     -0.000000      0.000000
      2.01274      0.00000      2.01342         0.000000      0.000000      0.000000
      0.00000      2.01342      2.01342        -0.000000      0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.55369465 eV

  energy  without entropy=      -13.51363770  energy(sigma->0) =      -13.53366618
 


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0493: real time    0.0493


--------------------------------------------------------------------------------------------------------


 
 
Found     7 degrees of freedom:
 
 
        Directions for atom     1:
        --------------------------
 
              1.0000000000000000      0.0000000000000000      0.0000000000000000
              0.0000000000000000      1.0000000000000000      0.0000000000000000
 
 
        Directions for atom     2:
        --------------------------
 
              1.0000000000000000      0.0000000000000000      0.0000000000000000
              0.0000000000000000      1.0000000000000000      0.0000000000000000
              0.0000000000000000      0.0000000000000000      1.0000000000000000
 
 
        Directions for atom     4:
        --------------------------
 
              1.0000000000000000      0.0000000000000000      0.0000000000000000
              0.0000000000000000      1.0000000000000000      0.0000000000000000
        Strain: 6 additional degrees of freedom
        ---------------------------------------
 Finite differences:
   Step               POTIM =   5.000000000000000E-002
   Degrees of freedom DOF   =           13
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     1.0496495665
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.2267626103,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof 16 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    9     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   10    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   11     1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   13     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   14    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   15     1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   16    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    196 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      4.000000
  0.076923  0.076923  0.000000      8.000000
  0.153846  0.076923  0.000000      8.000000
  0.230769  0.076923  0.000000      8.000000
  0.307692  0.076923  0.000000      8.000000
  0.384615  0.076923  0.000000      8.000000
  0.461538  0.076923  0.000000      8.000000
  0.000000  0.153846  0.000000      4.000000
  0.076923  0.153846  0.000000      8.000000
  0.153846  0.153846  0.000000      8.000000
  0.230769  0.153846  0.000000      8.000000
  0.307692  0.153846  0.000000      8.000000
  0.384615  0.153846  0.000000      8.000000
  0.461538  0.153846  0.000000      8.000000
  0.000000  0.230769  0.000000      4.000000
  0.076923  0.230769  0.000000      8.000000
  0.153846  0.230769  0.000000      8.000000
  0.230769  0.230769  0.000000      8.000000
  0.307692  0.230769  0.000000      8.000000
  0.384615  0.230769  0.000000      8.000000
  0.461538  0.230769  0.000000      8.000000
  0.000000  0.307692  0.000000      4.000000
  0.076923  0.307692  0.000000      8.000000
  0.153846  0.307692  0.000000      8.000000
  0.230769  0.307692  0.000000      8.000000
  0.307692  0.307692  0.000000      8.000000
  0.384615  0.307692  0.000000      8.000000
  0.461538  0.307692  0.000000      8.000000
  0.000000  0.384615  0.000000      4.000000
  0.076923  0.384615  0.000000      8.000000
  0.153846  0.384615  0.000000      8.000000
  0.230769  0.384615  0.000000      8.000000
  0.307692  0.384615  0.000000      8.000000
  0.384615  0.384615  0.000000      8.000000
  0.461538  0.384615  0.000000      8.000000
  0.000000  0.461538  0.000000      4.000000
  0.076923  0.461538  0.000000      8.000000
  0.153846  0.461538  0.000000      8.000000
  0.230769  0.461538  0.000000      8.000000
  0.307692  0.461538  0.000000      8.000000
  0.384615  0.461538  0.000000      8.000000
  0.461538  0.461538  0.000000      8.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      8.000000
  0.076923  0.153846  0.076923     16.000000
  0.153846  0.153846  0.076923     16.000000
  0.230769  0.153846  0.076923     16.000000
  0.307692  0.153846  0.076923     16.000000
  0.384615  0.153846  0.076923     16.000000
  0.461538  0.153846  0.076923     16.000000
  0.000000  0.230769  0.076923      8.000000
  0.076923  0.230769  0.076923     16.000000
  0.153846  0.230769  0.076923     16.000000
  0.230769  0.230769  0.076923     16.000000
  0.307692  0.230769  0.076923     16.000000
  0.384615  0.230769  0.076923     16.000000
  0.461538  0.230769  0.076923     16.000000
  0.000000  0.307692  0.076923      8.000000
  0.076923  0.307692  0.076923     16.000000
  0.153846  0.307692  0.076923     16.000000
  0.230769  0.307692  0.076923     16.000000
  0.307692  0.307692  0.076923     16.000000
  0.384615  0.307692  0.076923     16.000000
  0.461538  0.307692  0.076923     16.000000
  0.000000  0.384615  0.076923      8.000000
  0.076923  0.384615  0.076923     16.000000
  0.153846  0.384615  0.076923     16.000000
  0.230769  0.384615  0.076923     16.000000
  0.307692  0.384615  0.076923     16.000000
  0.384615  0.384615  0.076923     16.000000
  0.461538  0.384615  0.076923     16.000000
  0.000000  0.461538  0.076923      8.000000
  0.076923  0.461538  0.076923     16.000000
  0.153846  0.461538  0.076923     16.000000
  0.230769  0.461538  0.076923     16.000000
  0.307692  0.461538  0.076923     16.000000
  0.384615  0.461538  0.076923     16.000000
  0.461538  0.461538  0.076923     16.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      8.000000
  0.076923  0.230769  0.153846     16.000000
  0.153846  0.230769  0.153846     16.000000
  0.230769  0.230769  0.153846     16.000000
  0.307692  0.230769  0.153846     16.000000
  0.384615  0.230769  0.153846     16.000000
  0.461538  0.230769  0.153846     16.000000
  0.000000  0.307692  0.153846      8.000000
  0.076923  0.307692  0.153846     16.000000
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 Following cartesian coordinates:
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  0.054597  0.114616  0.114616      8.000000
  0.072796  0.114616  0.114616      8.000000
  0.090995  0.114616  0.114616      8.000000
  0.109194  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.6690: real time    0.7681
    FEWALD:  cpu time    0.0025: real time    0.0025
    GENKIN:  cpu time    0.0395: real time    0.0395
    ORTHCH:  cpu time    1.0830: real time    1.0830
     LOOP+:  cpu time  112.2486: real time  112.4173


--------------------------------------- Iteration      2(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0463: real time    0.0472
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   12.0339: real time   12.0372
       DOS:  cpu time    0.0082: real time    0.0082
    CHARGE:  cpu time    0.1064: real time    0.1064
    MIXING:  cpu time    0.0020: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time   12.2005: real time   12.2047

 eigenvalue-minimisations  :  5868
 total energy-change (2. order) : 0.4078584E-01  (-0.8845570E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1125451 magnetization 

 Broyden mixing:
  rms(total) = 0.63348E-01    rms(broyden)= 0.63348E-01
  rms(prec ) = 0.17134E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53294053
  -Hartree energ DENC   =        -3.34212940
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.05226994
  PAW double counting   =       429.16544784     -327.81838103
  entropy T*S    EENTRO =        -0.04255215
  eigenvalues    EBANDS =        19.30227706
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.51291878 eV

  energy without entropy =      -13.47036663  energy(sigma->0) =      -13.49164271


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0455: real time    0.0458
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   11.2909: real time   11.2977
       DOS:  cpu time    0.0108: real time    0.0108
    CHARGE:  cpu time    0.1070: real time    0.1070
    MIXING:  cpu time    0.0035: real time    0.0035
    --------------------------------------------
      LOOP:  cpu time   11.4610: real time   11.4681

 eigenvalue-minimisations  :  5468
 total energy-change (2. order) : 0.1272733E-01  (-0.4340294E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1112175 magnetization 

 Broyden mixing:
  rms(total) = 0.28255E-01    rms(broyden)= 0.28255E-01
  rms(prec ) = 0.76032E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1665
  1.1665

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53294053
  -Hartree energ DENC   =        -3.43561326
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.06571730
  PAW double counting   =       405.79082311     -304.43520813
  entropy T*S    EENTRO =        -0.04280335
  eigenvalues    EBANDS =        19.41363864
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.50019145 eV

  energy without entropy =      -13.45738810  energy(sigma->0) =      -13.47878977


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0466: real time    0.0473
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   12.1515: real time   12.1585
       DOS:  cpu time    0.0103: real time    0.0103
    CHARGE:  cpu time    0.1072: real time    0.1072
    MIXING:  cpu time    0.0040: real time    0.0040
    --------------------------------------------
      LOOP:  cpu time   12.3234: real time   12.3310

 eigenvalue-minimisations  :  5804
 total energy-change (2. order) : 0.3153342E-02  (-0.8818730E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1104272 magnetization 

 Broyden mixing:
  rms(total) = 0.12345E-01    rms(broyden)= 0.12345E-01
  rms(prec ) = 0.23882E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6245
  1.2980  1.9510

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53294053
  -Hartree energ DENC   =        -3.50728970
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.07963366
  PAW double counting   =       392.55567536     -291.19089321
  entropy T*S    EENTRO =        -0.04300793
  eigenvalues    EBANDS =        19.49342220
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49703811 eV

  energy without entropy =      -13.45403018  energy(sigma->0) =      -13.47553414


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0481: real time    0.0485
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   11.7451: real time   11.7518
       DOS:  cpu time    0.0096: real time    0.0096
    CHARGE:  cpu time    0.1060: real time    0.1060
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   11.9168: real time   11.9239

 eigenvalue-minimisations  :  5520
 total energy-change (2. order) : 0.2561540E-03  (-0.7653662E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1100119 magnetization 

 Broyden mixing:
  rms(total) = 0.55769E-02    rms(broyden)= 0.55769E-02
  rms(prec ) = 0.77955E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2405
  1.8298  1.3837  0.5080

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53294053
  -Hartree energ DENC   =        -3.52350755
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.08828668
  PAW double counting   =       391.00445855     -289.63404005
  entropy T*S    EENTRO =        -0.04300895
  eigenvalues    EBANDS =        19.51291390
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49678195 eV

  energy without entropy =      -13.45377300  energy(sigma->0) =      -13.47527748


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0494: real time    0.0499
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   12.4836: real time   12.4906
       DOS:  cpu time    0.0110: real time    0.0110
    CHARGE:  cpu time    0.1075: real time    0.1075
    MIXING:  cpu time    0.0041: real time    0.0041
    --------------------------------------------
      LOOP:  cpu time   12.6590: real time   12.6664

 eigenvalue-minimisations  :  6136
 total energy-change (2. order) : 0.1868804E-04  (-0.2856627E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1098803 magnetization 

 Broyden mixing:
  rms(total) = 0.41391E-02    rms(broyden)= 0.41391E-02
  rms(prec ) = 0.44879E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8376
  1.1749  1.2614  2.4571  2.4571

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53294053
  -Hartree energ DENC   =        -3.52682232
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.09099435
  PAW double counting   =       392.54609743     -291.17399325
  entropy T*S    EENTRO =        -0.04301389
  eigenvalues    EBANDS =        19.51727429
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49676327 eV

  energy without entropy =      -13.45374937  energy(sigma->0) =      -13.47525632


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0474: real time    0.0480
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   11.6060: real time   11.6067
       DOS:  cpu time    0.0091: real time    0.0091
    --------------------------------------------
      LOOP:  cpu time   11.6657: real time   11.6670

 eigenvalue-minimisations  :  5404
 total energy-change (2. order) : 0.2860894E-05  (-0.2752853E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1098803 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53294053
  -Hartree energ DENC   =        -3.52535872
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.09281715
  PAW double counting   =       396.59910574     -295.22600865
  entropy T*S    EENTRO =        -0.04301215
  eigenvalues    EBANDS =        19.51664170
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49676041 eV

  energy without entropy =      -13.45374825  energy(sigma->0) =      -13.47525433


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.7237       2 -74.7195       3 -74.7195       4 -74.7726
 
 
 
 E-fermi :   5.8291     XC(G=0):  -9.4009     alpha+bet :-12.8869


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.7707      2.00000
      2       3.5664      2.00000
      3       4.2175      2.00000
      4       4.2175      2.00000
      5       4.6508      1.99998
      6       5.4162      1.96831
      7       7.2909      0.00000
      8      11.6900      0.00000
      9      11.6900      0.00000
     10      11.7346      0.00000
     11      12.1666      0.00000
     12      12.1666      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.7265      2.00000
      2       2.9061      2.00000
      3       4.2618      2.00000
      4       4.2618      2.00000
      5       5.3249      1.98716
      6       5.4641      1.94934
      7       7.3835      0.00000
      8      10.8250      0.00000
      9      10.8250      0.00000
     10      11.4226      0.00000
     11      12.5301      0.00000
     12      12.7253      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5947      2.00000
      2       1.9544      2.00000
      3       4.3940      2.00000
      4       4.3940      2.00000
      5       5.6075      1.80341
      6       6.2034      0.04629
      7       7.7722      0.00000
      8       9.8104      0.00000
      9       9.8104      0.00000
     10      10.7275      0.00000
     11      12.1402      0.00000
     12      12.8509      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       1.0469      2.00000
      3       4.6127      1.99999
      4       4.6127      1.99999
      5       5.8456      0.91784
      6       6.7198      0.00027
      7       8.6747      0.00000
      8       8.8724      0.00000
      9       8.8724      0.00000
     10       9.9267      0.00000
     11      11.7092      0.00000
     12      13.0536      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.0875      2.00000
      2       0.2277      2.00000
      3       4.9135      1.99979
      4       4.9135      1.99979
      5       6.1770      0.05982
      6       6.9681      0.00002
      7       8.0287      0.00000
      8       8.0287      0.00000
      9       9.1328      0.00000
     10       9.8988      0.00000
     11      11.3769      0.00000
     12      13.3186      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.7466      2.00000
      2      -0.4680      2.00000
      3       5.2815      1.99167
      4       5.2815      1.99167
      5       6.5996      0.00090
      6       7.1137      0.00001
      7       7.2977      0.00000
      8       7.2977      0.00000
      9       8.3891      0.00000
     10      10.6844      0.00000
     11      11.7568      0.00000
     12      13.6084      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4507      2.00000
      2      -0.9421      2.00000
      3       5.6411      1.73515
      4       5.6411      1.73515
      5       6.7563      0.00019
      6       6.7563      0.00019
      7       7.1076      0.00001
      8       7.1890      0.00000
      9       7.7175      0.00000
     10      10.6554      0.00000
     11      13.1673      0.00000
     12      13.8286      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.7210      2.00000
      2       3.4899      2.00000
      3       3.6158      2.00000
      4       4.2667      2.00000
      5       4.7941      1.99994
      6       5.9217      0.56765
      7       7.5416      0.00000
      8      10.8546      0.00000
      9      11.3385      0.00000
     10      11.3639      0.00000
     11      12.0657      0.00000
     12      12.2156      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.6767      2.00000
      2       2.9268      2.00000
      3       3.6016      2.00000
      4       4.3109      2.00000
      5       5.4012      1.97266
      6       6.0176      0.26359
      7       7.6101      0.00000
      8      10.1161      0.00000
      9      10.8375      0.00000
     10      11.6121      0.00000
     11      11.6593      0.00000
     12      12.2562      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5449      2.00000
      2       1.9919      2.00000
      3       3.7300      2.00000
      4       4.4431      2.00000
      5       5.9386      0.50157
      6       6.5692      0.00122
      7       7.8971      0.00000
      8       9.1860      0.00000
      9       9.8537      0.00000
     10      11.1249      0.00000
     11      11.6982      0.00000
     12      12.3450      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3287      2.00000
      2       1.0892      2.00000
      3       3.9459      2.00000
      4       4.6618      1.99998
      5       6.1972      0.04918
      6       7.1283      0.00000
      7       8.2054      0.00000
      8       8.8101      0.00000
      9       8.9196      0.00000
     10      10.3799      0.00000
     11      11.9000      0.00000
     12      11.9220      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.0370      2.00000
      2       0.2715      2.00000
      3       4.2415      2.00000
      4       4.9625      1.99966
      5       6.4641      0.00349
      6       7.2951      0.00000
      7       7.6020      0.00000
      8       8.0770      0.00000
      9       9.5747      0.00000
     10      10.0300      0.00000
     11      11.5443      0.00000
     12      12.1791      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.6953      2.00000
      2      -0.4241      2.00000
      3       4.5985      1.99999
      4       5.3304      1.98645
      5       6.4752      0.00312
      6       7.0760      0.00001
      7       7.3465      0.00000
      8       7.6600      0.00000
      9       8.9053      0.00000
     10      10.8882      0.00000
     11      11.7854      0.00000
     12      12.5056      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.3979      2.00000
      2      -0.8992      2.00000
      3       4.9363      1.99973
      4       5.6899      1.60195
      5       6.0734      0.15991
      6       6.8054      0.00012
      7       7.2747      0.00000
      8       7.8792      0.00000
      9       8.3055      0.00000
     10      10.8492      0.00000
     11      12.7860      0.00000
     12      13.1751      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.5727      2.00000
      2       2.4585      2.00000
      3       3.7637      2.00000
      4       4.4138      2.00000
      5       4.9657      1.99964
      6       6.4279      0.00501
      7       8.4049      0.00000
      8       9.7350      0.00000
      9      10.3179      0.00000
     10      10.6303      0.00000
     11      12.0984      0.00000
     12      12.2973      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.5283      2.00000
      2       2.4590      2.00000
      3       3.1865      2.00000
      4       4.4580      2.00000
      5       5.5579      1.87553
      6       6.5621      0.00131
      7       8.4137      0.00000
      8       9.1404      0.00000
      9      10.3336      0.00000
     10      11.1284      0.00000
     11      11.1773      0.00000
     12      12.1020      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3961      2.00000
      2       2.0536      2.00000
      3       2.7840      2.00000
      4       4.5902      1.99999
      5       6.1386      0.08667
      6       7.2016      0.00000
      7       8.0904      0.00000
      8       8.7278      0.00000
      9       9.9538      0.00000
     10      10.6035      0.00000
     11      11.3121      0.00000
     12      12.1210      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.1792      2.00000
      2       1.2069      2.00000
      3       2.9392      2.00000
      4       4.8088      1.99993
      5       6.3449      0.01144
      6       7.3536      0.00000
      7       8.1441      0.00000
      8       9.0581      0.00000
      9       9.0817      0.00000
     10      10.7662      0.00000
     11      10.7761      0.00000
     12      12.3339      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.8861      2.00000
      2       0.3999      2.00000
      3       3.2149      2.00000
      4       5.1093      1.99850
      5       6.1440      0.08226
      6       7.0614      0.00001
      7       8.2209      0.00000
      8       8.5880      0.00000
      9       9.9181      0.00000
     10      10.4186      0.00000
     11      11.0423      0.00000
     12      12.0890      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.5418      2.00000
      2      -0.2941      2.00000
      3       3.5525      2.00000
      4       5.4769      1.94264
      5       5.5870      1.83687
      6       7.2357      0.00000
      7       7.4922      0.00000
      8       8.7439      0.00000
      9       9.6387      0.00000
     10      11.3732      0.00000
     11      11.4795      0.00000
     12      11.8977      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2398      2.00000
      2      -0.7723      2.00000
      3       3.8605      2.00000
      4       5.1338      1.99809
      5       5.8359      0.96630
      6       6.9521      0.00003
      7       7.4409      0.00000
      8       8.7216      0.00000
      9       9.4391      0.00000
     10      11.4647      0.00000
     11      11.6625      0.00000
     12      12.9480      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.3287      2.00000
      2       1.4632      2.00000
      3       4.0090      2.00000
      4       4.6578      1.99998
      5       5.2230      1.99535
      6       6.6947      0.00035
      7       8.6929      0.00000
      8       9.2950      0.00000
      9       9.6333      0.00000
     10       9.8491      0.00000
     11      11.7386      0.00000
     12      12.3145      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.2841      2.00000
      2       1.4952      2.00000
      3       3.3956      2.00000
      4       4.7020      1.99997
      5       5.8141      1.07490
      6       6.8090      0.00011
      7       8.1367      0.00000
      8       9.3350      0.00000
      9       9.7666      0.00000
     10      10.3114      0.00000
     11      11.3240      0.00000
     12      11.7701      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1511      2.00000
      2       1.5597      2.00000
      3       2.5169      2.00000
      4       4.8341      1.99990
      5       6.2991      0.01803
      6       7.1326      0.00000
      7       7.7393      0.00000
      8       9.4420      0.00000
      9       9.8721      0.00000
     10      10.3118      0.00000
     11      10.8714      0.00000
     12      11.8473      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9328      2.00000
      2       1.3110      2.00000
      3       2.0660      2.00000
      4       5.0525      1.99915
      5       5.9890      0.33622
      6       7.0253      0.00001
      7       8.7775      0.00000
      8       9.2477      0.00000
      9       9.7743      0.00000
     10       9.9931      0.00000
     11      10.8277      0.00000
     12      11.9125      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.6372      2.00000
      2       0.5959      2.00000
      3       2.2374      2.00000
      4       5.3147      1.98840
      5       5.3527      1.98308
      6       7.2134      0.00000
      7       8.4550      0.00000
      8       9.7307      0.00000
      9      10.0085      0.00000
     10      10.1952      0.00000
     11      10.7903      0.00000
     12      12.0397      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.2881      2.00000
      2      -0.0854      2.00000
      3       2.5409      2.00000
      4       4.6795      1.99998
      5       5.7199      1.49762
      6       7.4788      0.00000
      7       7.7319      0.00000
      8       9.4744      0.00000
      9      10.3383      0.00000
     10      10.6770      0.00000
     11      11.6413      0.00000
     12      12.3072      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.9775      2.00000
      2      -0.5672      2.00000
      3       2.8169      2.00000
      4       4.2360      2.00000
      5       6.0783      0.15280
      6       7.1937      0.00000
      7       7.6985      0.00000
      8       9.1755      0.00000
      9      10.6327      0.00000
     10      10.8728      0.00000
     11      12.0876      0.00000
     12      12.1395      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.9966      2.00000
      2       0.5549      2.00000
      3       4.3479      2.00000
      4       4.9953      1.99952
      5       5.5722      1.85773
      6       6.8865      0.00005
      7       7.7521      0.00000
      8       8.3633      0.00000
      9       8.9273      0.00000
     10      10.9089      0.00000
     11      11.5589      0.00000
     12      12.6321      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.9516      2.00000
      2       0.5923      2.00000
      3       3.7206      2.00000
      4       5.0394      1.99926
      5       6.1632      0.06840
      6       6.8049      0.00012
      7       7.4616      0.00000
      8       8.4059      0.00000
      9       9.4386      0.00000
     10      11.0204      0.00000
     11      11.5415      0.00000
     12      11.6396      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8173      2.00000
      2       0.6990      2.00000
      3       2.7891      2.00000
      4       5.1714      1.99722
      5       6.0172      0.26464
      6       6.9551      0.00003
      7       7.9098      0.00000
      8       8.5322      0.00000
      9      10.1079      0.00000
     10      10.6099      0.00000
     11      11.3104      0.00000
     12      11.5725      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.5965      2.00000
      2       0.8397      2.00000
      3       1.9363      2.00000
      4       5.2363      1.99469
      5       5.3896      1.97563
      6       7.2280      0.00000
      7       8.7303      0.00000
      8       9.0676      0.00000
      9       9.6821      0.00000
     10      10.4432      0.00000
     11      11.1608      0.00000
     12      12.0545      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.2965      2.00000
      2       0.7408      2.00000
      3       1.4737      2.00000
      4       4.4892      2.00000
      5       5.6895      1.60297
      6       7.5049      0.00000
      7       8.7252      0.00000
      8       9.1314      0.00000
      9      10.0921      0.00000
     10      10.5284      0.00000
     11      11.2110      0.00000
     12      12.2408      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.9391      2.00000
      2       0.1780      2.00000
      3       1.6296      2.00000
      4       3.8539      2.00000
      5       6.0564      0.18671
      6       7.8060      0.00000
      7       8.0561      0.00000
      8       9.4105      0.00000
      9       9.7857      0.00000
     10      11.1327      0.00000
     11      11.6281      0.00000
     12      11.9151      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6137      2.00000
      2      -0.2991      2.00000
      3       1.8563      2.00000
      4       3.4338      2.00000
      5       6.4151      0.00569
      6       7.5223      0.00000
      7       8.0522      0.00000
      8       9.4533      0.00000
      9       9.7041      0.00000
     10      11.1463      0.00000
     11      11.3114      0.00000
     12      12.3863      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.5995      2.00000
      2      -0.2303      2.00000
      3       4.7679      1.99995
      4       5.4148      1.96876
      5       6.0004      0.30570
      6       6.9295      0.00003
      7       7.0321      0.00001
      8       7.5454      0.00000
      9       8.1657      0.00000
     10      10.7242      0.00000
     11      13.0064      0.00000
     12      13.0736      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.5536      2.00000
      2      -0.1918      2.00000
      3       4.1230      2.00000
      4       5.4588      1.95188
      5       6.2128      0.04222
      6       6.6665      0.00046
      7       7.3822      0.00000
      8       7.5888      0.00000
      9       8.6248      0.00000
     10      10.8331      0.00000
     11      12.0262      0.00000
     12      12.8568      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4167      2.00000
      2      -0.0785      2.00000
      3       3.1657      2.00000
      4       5.3512      1.98334
      5       5.5906      1.83141
      6       7.2729      0.00000
      7       7.7181      0.00000
      8       8.1146      0.00000
      9       9.3695      0.00000
     10      10.9965      0.00000
     11      11.2140      0.00000
     12      12.3982      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.1910      2.00000
      2       0.1005      2.00000
      3       2.2525      2.00000
      4       4.5203      2.00000
      5       5.8085      1.10256
      6       7.5599      0.00000
      7       7.9295      0.00000
      8       9.1963      0.00000
      9      10.0351      0.00000
     10      10.0585      0.00000
     11      11.5656      0.00000
     12      12.2131      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.8827      2.00000
      2       0.3128      2.00000
      3       1.4491      2.00000
      4       3.7759      2.00000
      5       6.1084      0.11537
      6       7.8617      0.00000
      7       8.2103      0.00000
      8       9.2242      0.00000
      9       9.7865      0.00000
     10      10.9156      0.00000
     11      11.2209      0.00000
     12      11.5317      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.5101      2.00000
      2       0.3557      2.00000
      3       0.9537      2.00000
      4       3.1637      2.00000
      5       6.4760      0.00310
      6       8.1995      0.00000
      7       8.3831      0.00000
      8       8.6619      0.00000
      9       9.8513      0.00000
     10      10.6286      0.00000
     11      10.8263      0.00000
     12      12.4463      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.1563      2.00000
      2      -0.0073      2.00000
      3       1.0008      2.00000
      4       2.7780      2.00000
      5       6.8380      0.00008
      6       7.9137      0.00000
      7       8.4945      0.00000
      8       8.8870      0.00000
      9       9.6338      0.00000
     10      10.3443      0.00000
     11      10.5322      0.00000
     12      13.0361      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.2347      2.00000
      2      -0.7900      2.00000
      3       5.1976      1.99639
      4       5.8482      0.90496
      5       6.2983      0.01817
      6       6.4372      0.00456
      7       6.9123      0.00004
      8       7.0809      0.00001
      9       7.5965      0.00000
     10      10.5248      0.00000
     11      13.4433      0.00000
     12      13.5650      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1872      2.00000
      2      -0.7525      2.00000
      3       4.5189      2.00000
      4       5.6810      1.62937
      5       5.8921      0.69488
      6       6.9560      0.00003
      7       7.1663      0.00000
      8       7.4615      0.00000
      9       7.9036      0.00000
     10      10.6297      0.00000
     11      12.3884      0.00000
     12      13.4349      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0450      2.00000
      2      -0.6418      2.00000
      3       3.5260      2.00000
      4       4.8201      1.99992
      5       6.0237      0.24993
      6       7.0862      0.00001
      7       7.6234      0.00000
      8       8.3233      0.00000
      9       8.7458      0.00000
     10      10.9905      0.00000
     11      11.3609      0.00000
     12      12.7327      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.8093      2.00000
      2      -0.4642      2.00000
      3       2.5741      2.00000
      4       4.0076      2.00000
      5       6.2418      0.03176
      6       7.2997      0.00000
      7       7.8670      0.00000
      8       9.0457      0.00000
      9       9.9372      0.00000
     10      10.4244      0.00000
     11      11.6405      0.00000
     12      11.7960      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.4836      2.00000
      2      -0.2348      2.00000
      3       1.7030      2.00000
      4       3.2910      2.00000
      5       6.5429      0.00159
      6       7.5873      0.00000
      7       8.1860      0.00000
      8       9.4053      0.00000
      9       9.5839      0.00000
     10      10.9590      0.00000
     11      11.1719      0.00000
     12      11.3471      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.0785      2.00000
      2       0.0090      2.00000
      3       0.9340      2.00000
      4       2.7165      2.00000
      5       6.9156      0.00004
      6       7.9222      0.00000
      7       8.5768      0.00000
      8       8.8519      0.00000
      9       9.5982      0.00000
     10      10.2552      0.00000
     11      10.4777      0.00000
     12      12.7439      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.6550      2.00000
      2       0.1595      2.00000
      3       0.3573      2.00000
      4       2.3703      2.00000
      5       7.2944      0.00000
      6       8.1981      0.00000
      7       8.3051      0.00000
      8       8.9802      0.00000
      9       9.6798      0.00000
     10       9.7826      0.00000
     11       9.9247      0.00000
     12      12.9017      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.6713      2.00000
      2       3.4444      2.00000
      3       3.6395      2.00000
      4       3.6652      2.00000
      5       5.0498      1.99918
      6       6.3791      0.00814
      7       7.7199      0.00000
      8      10.6102      0.00000
      9      10.7443      0.00000
     10      11.1678      0.00000
     11      11.4070      0.00000
     12      11.9065      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.6270      2.00000
      2       2.9576      2.00000
      3       3.4901      2.00000
      4       3.8243      2.00000
      5       5.6603      1.68805
      6       6.4247      0.00517
      7       7.7748      0.00000
      8      10.0143      0.00000
      9      10.2487      0.00000
     10      10.9475      0.00000
     11      11.8378      0.00000
     12      12.3924      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4950      2.00000
      2       2.0309      2.00000
      3       3.6271      2.00000
      4       3.9580      2.00000
      5       6.5605      0.00133
      6       6.6368      0.00062
      7       7.9977      0.00000
      8       9.0445      0.00000
      9       9.4485      0.00000
     10      11.0044      0.00000
     11      11.5599      0.00000
     12      12.4921      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.2786      2.00000
      2       1.1319      2.00000
      3       3.8541      2.00000
      4       4.1602      2.00000
      5       6.7801      0.00015
      6       7.2715      0.00000
      7       8.1298      0.00000
      8       8.3694      0.00000
      9       9.0237      0.00000
     10      10.8336      0.00000
     11      11.1691      0.00000
     12      12.1432      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.9864      2.00000
      2       0.3157      2.00000
      3       4.1680      2.00000
      4       4.4287      2.00000
      5       6.9945      0.00002
      6       7.3160      0.00000
      7       7.3897      0.00000
      8       8.0309      0.00000
      9      10.0636      0.00000
     10      10.0720      0.00000
     11      11.3360      0.00000
     12      11.8558      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.6439      2.00000
      2      -0.3799      2.00000
      3       4.5585      1.99999
      4       4.7378      1.99996
      5       6.4728      0.00320
      6       6.8832      0.00005
      7       7.5693      0.00000
      8       8.0078      0.00000
      9       9.3394      0.00000
     10      11.0409      0.00000
     11      11.5850      0.00000
     12      12.0471      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3451      2.00000
      2      -0.8562      2.00000
      3       4.9671      1.99964
      4       4.9977      1.99951
      5       5.8989      0.66448
      6       6.4953      0.00255
      7       8.0218      0.00000
      8       8.0625      0.00000
      9       8.7099      0.00000
     10      10.9983      0.00000
     11      12.0314      0.00000
     12      13.1993      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.5229      2.00000
      2       2.4961      2.00000
      3       3.7112      2.00000
      4       3.8131      2.00000
      5       5.2533      1.99370
      6       6.9543      0.00003
      7       8.4633      0.00000
      8       9.6089      0.00000
      9       9.7749      0.00000
     10      10.8858      0.00000
     11      11.1370      0.00000
     12      11.9054      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.4785      2.00000
      2       2.5028      2.00000
      3       3.1796      2.00000
      4       3.8603      2.00000
      5       5.8660      0.81776
      6       7.0130      0.00001
      7       8.4695      0.00000
      8       9.1240      0.00000
      9       9.6920      0.00000
     10      10.5292      0.00000
     11      11.4567      0.00000
     12      12.3401      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3461      2.00000
      2       2.1005      2.00000
      3       2.7981      2.00000
      4       3.9849      2.00000
      5       6.7531      0.00019
      6       7.3222      0.00000
      7       8.1368      0.00000
      8       8.6792      0.00000
      9       9.3540      0.00000
     10      10.1342      0.00000
     11      11.8615      0.00000
     12      12.4910      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1290      2.00000
      2       1.2516      2.00000
      3       2.9654      2.00000
      4       4.1885      2.00000
      5       6.9164      0.00004
      6       7.5152      0.00000
      7       8.1262      0.00000
      8       8.4494      0.00000
      9       9.2432      0.00000
     10      10.2294      0.00000
     11      11.3498      0.00000
     12      12.6580      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.8355      2.00000
      2       0.4449      2.00000
      3       3.2477      2.00000
      4       4.4625      2.00000
      5       6.3368      0.01240
      6       7.5026      0.00000
      7       7.7216      0.00000
      8       8.7873      0.00000
      9      10.1052      0.00000
     10      10.4347      0.00000
     11      10.8040      0.00000
     12      12.2866      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.4904      2.00000
      2      -0.2493      2.00000
      3       3.5925      2.00000
      4       4.7804      1.99994
      5       5.6835      1.62185
      6       6.9408      0.00003
      7       7.9514      0.00000
      8       9.0273      0.00000
      9      10.0068      0.00000
     10      10.6698      0.00000
     11      11.5522      0.00000
     12      12.0526      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.1871      2.00000
      2      -0.7286      2.00000
      3       3.9090      2.00000
      4       5.0237      1.99936
      5       5.2379      1.99460
      6       6.5022      0.00238
      7       8.2235      0.00000
      8       9.1876      0.00000
      9       9.5567      0.00000
     10      10.9617      0.00000
     11      11.5019      0.00000
     12      12.6226      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.2787      2.00000
      2       1.5065      2.00000
      3       3.9541      2.00000
      4       4.0583      2.00000
      5       5.4913      1.93404
      6       7.2492      0.00000
      7       8.6081      0.00000
      8       8.7400      0.00000
      9       9.6971      0.00000
     10      10.2003      0.00000
     11      11.3617      0.00000
     12      11.9448      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.2341      2.00000
      2       1.5394      2.00000
      3       3.4048      2.00000
      4       4.0848      2.00000
      5       6.1151      0.10839
      6       7.2633      0.00000
      7       8.1428      0.00000
      8       8.7669      0.00000
      9       9.7908      0.00000
     10      10.5797      0.00000
     11      10.7757      0.00000
     12      12.2267      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1010      2.00000
      2       1.6078      2.00000
      3       2.5437      2.00000
      4       4.2066      2.00000
      5       6.8520      0.00007
      6       7.2110      0.00000
      7       7.8702      0.00000
      8       8.8520      0.00000
      9       9.5293      0.00000
     10      10.2066      0.00000
     11      11.4096      0.00000
     12      12.2888      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.8825      2.00000
      2       1.3614      2.00000
      3       2.0981      2.00000
      4       4.4046      2.00000
      5       6.1920      0.05170
      6       7.5806      0.00000
      7       8.5426      0.00000
      8       8.7654      0.00000
      9       9.2895      0.00000
     10      10.2810      0.00000
     11      11.4981      0.00000
     12      12.3332      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.5865      2.00000
      2       0.6429      2.00000
      3       2.2773      2.00000
      4       4.6485      1.99999
      5       5.4756      1.94331
      6       7.7467      0.00000
      7       7.9744      0.00000
      8       9.3556      0.00000
      9       9.9639      0.00000
     10      10.5696      0.00000
     11      11.1648      0.00000
     12      12.4353      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.2367      2.00000
      2      -0.0394      2.00000
      3       2.5856      2.00000
      4       4.6247      1.99999
      5       5.1744      1.99714
      6       7.1605      0.00000
      7       8.2166      0.00000
      8       9.6653      0.00000
      9      10.0739      0.00000
     10      10.7831      0.00000
     11      11.8237      0.00000
     12      12.1026      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9249      2.00000
      2      -0.5224      2.00000
      3       2.8668      2.00000
      4       4.2426      2.00000
      5       5.4001      1.97297
      6       6.6988      0.00033
      7       8.4787      0.00000
      8       9.7263      0.00000
      9       9.9811      0.00000
     10      10.9186      0.00000
     11      11.5150      0.00000
     12      12.6575      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.9462      2.00000
      2       0.5999      2.00000
      3       4.2925      2.00000
      4       4.3972      2.00000
      5       5.7866      1.20924
      6       7.4519      0.00000
      7       7.7177      0.00000
      8       7.8006      0.00000
      9       9.3668      0.00000
     10      11.1644      0.00000
     11      11.6127      0.00000
     12      11.6824      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.9012      2.00000
      2       0.6376      2.00000
      3       3.7393      2.00000
      4       4.4015      2.00000
      5       6.4302      0.00489
      6       7.0244      0.00001
      7       7.5810      0.00000
      8       8.0463      0.00000
      9       9.8219      0.00000
     10      10.8552      0.00000
     11      11.2421      0.00000
     12      11.8641      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7668      2.00000
      2       0.7455      2.00000
      3       2.8240      2.00000
      4       4.5159      2.00000
      5       6.1913      0.05209
      6       7.4108      0.00000
      7       7.7407      0.00000
      8       8.3558      0.00000
      9       9.9447      0.00000
     10      10.5987      0.00000
     11      11.4508      0.00000
     12      11.9636      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5459      2.00000
      2       0.8890      2.00000
      3       1.9745      2.00000
      4       4.6717      1.99998
      5       5.4101      1.97015
      6       7.8652      0.00000
      7       8.0661      0.00000
      8       9.0321      0.00000
      9       9.3246      0.00000
     10      11.0835      0.00000
     11      11.5481      0.00000
     12      12.2287      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.2456      2.00000
      2       0.7924      2.00000
      3       1.5131      2.00000
      4       4.4539      2.00000
      5       5.1516      1.99772
      6       8.0222      0.00000
      7       8.1791      0.00000
      8       8.6321      0.00000
      9      10.5303      0.00000
     10      11.0162      0.00000
     11      11.5877      0.00000
     12      11.7196      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.8877      2.00000
      2       0.2263      2.00000
      3       1.6754      2.00000
      4       3.8692      2.00000
      5       5.4349      1.96194
      6       7.4498      0.00000
      7       8.5306      0.00000
      8       8.8042      0.00000
      9      10.4603      0.00000
     10      11.1234      0.00000
     11      11.7387      0.00000
     12      12.0193      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.5612      2.00000
      2      -0.2525      2.00000
      3       1.9069      2.00000
      4       3.4544      2.00000
      5       5.7372      1.42951
      6       6.9806      0.00002
      7       8.8203      0.00000
      8       9.0412      0.00000
      9      10.0069      0.00000
     10      10.7934      0.00000
     11      12.0511      0.00000
     12      12.4421      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.5484      2.00000
      2      -0.1852      2.00000
      3       4.7112      1.99997
      4       4.8171      1.99992
      5       6.0934      0.13281
      6       6.9299      0.00003
      7       6.9785      0.00002
      8       7.6303      0.00000
      9       8.7401      0.00000
     10      11.0159      0.00000
     11      12.0687      0.00000
     12      12.6388      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.5025      2.00000
      2      -0.1465      2.00000
      3       4.1533      2.00000
      4       4.7871      1.99994
      5       6.2917      0.01940
      6       6.7015      0.00033
      7       7.1737      0.00000
      8       7.9471      0.00000
      9       9.0776      0.00000
     10      11.0064      0.00000
     11      11.4124      0.00000
     12      13.0616      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3656      2.00000
      2      -0.0325      2.00000
      3       3.2065      2.00000
      4       4.8612      1.99987
      5       5.4894      1.93521
      6       7.0992      0.00001
      7       7.8597      0.00000
      8       8.4294      0.00000
      9       9.8077      0.00000
     10      10.3007      0.00000
     11      11.4464      0.00000
     12      12.7229      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.1399      2.00000
      2       0.1478      2.00000
      3       2.2966      2.00000
      4       4.4974      2.00000
      5       5.2369      1.99465
      6       7.3223      0.00000
      7       8.2752      0.00000
      8       9.4139      0.00000
      9       9.5073      0.00000
     10      10.4480      0.00000
     11      11.7002      0.00000
     12      12.1401      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.8314      2.00000
      2       0.3625      2.00000
      3       1.4938      2.00000
      4       3.7933      2.00000
      5       5.4882      1.93597
      6       7.5738      0.00000
      7       8.5397      0.00000
      8       8.6786      0.00000
      9      10.4609      0.00000
     10      10.9097      0.00000
     11      11.2551      0.00000
     12      11.7896      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.4585      2.00000
      2       0.4079      2.00000
      3       0.9991      2.00000
      4       3.1877      2.00000
      5       5.8328      0.98158
      6       7.6758      0.00000
      7       8.1188      0.00000
      8       8.9322      0.00000
      9      10.3264      0.00000
     10      10.6472      0.00000
     11      11.3439      0.00000
     12      12.5582      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1040      2.00000
      2       0.0421      2.00000
      3       1.0518      2.00000
      4       2.8017      2.00000
      5       6.1647      0.06739
      6       7.3010      0.00000
      7       8.2243      0.00000
      8       9.2494      0.00000
      9       9.8482      0.00000
     10      10.4867      0.00000
     11      11.2860      0.00000
     12      13.4681      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.1822      2.00000
      2      -0.7461      2.00000
      3       5.1385      1.99800
      4       5.2467      1.99411
      5       6.1005      0.12437
      6       6.3476      0.01114
      7       6.5813      0.00108
      8       7.6883      0.00000
      9       8.3557      0.00000
     10      10.7791      0.00000
     11      12.4233      0.00000
     12      13.0920      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.1346      2.00000
      2      -0.7084      2.00000
      3       4.5647      1.99999
      4       5.1730      1.99718
      5       5.6634      1.67964
      6       6.4221      0.00530
      7       7.3042      0.00000
      8       8.0778      0.00000
      9       8.4853      0.00000
     10      10.8417      0.00000
     11      11.6671      0.00000
     12      13.1603      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.9924      2.00000
      2      -0.5971      2.00000
      3       3.5745      2.00000
      4       4.8005      1.99993
      5       5.3601      1.98180
      6       6.5722      0.00118
      7       8.3594      0.00000
      8       8.5519      0.00000
      9       9.1125      0.00000
     10      10.6471      0.00000
     11      11.1049      0.00000
     12      12.3446      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.7569      2.00000
      2      -0.4183      2.00000
      3       2.6238      2.00000
      4       4.0204      2.00000
      5       5.5658      1.86592
      6       6.7705      0.00016
      7       8.6410      0.00000
      8       9.5642      0.00000
      9       9.7698      0.00000
     10      10.0210      0.00000
     11      11.1322      0.00000
     12      12.0729      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.4313      2.00000
      2      -0.1873      2.00000
      3       1.7534      2.00000
      4       3.3127      2.00000
      5       5.8679      0.80832
      6       7.0221      0.00001
      7       8.8961      0.00000
      8       8.9716      0.00000
      9       9.9832      0.00000
     10      10.5773      0.00000
     11      11.4133      0.00000
     12      11.9192      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.0263      2.00000
      2       0.0591      2.00000
      3       0.9848      2.00000
      4       2.7401      2.00000
      5       6.2441      0.03105
      6       7.2953      0.00000
      7       8.1844      0.00000
      8       9.3232      0.00000
      9       9.8150      0.00000
     10      10.4114      0.00000
     11      11.2410      0.00000
     12      12.8629      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.6027      2.00000
      2       0.2118      2.00000
      3       0.4086      2.00000
      4       2.3931      2.00000
      5       6.6278      0.00068
      6       7.4883      0.00000
      7       7.6399      0.00000
      8       9.4365      0.00000
      9       9.7568      0.00000
     10      10.4762      0.00000
     11      10.7028      0.00000
     12      13.3020      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.3742      2.00000
      2       2.4589      2.00000
      3       2.8738      2.00000
      4       3.9610      2.00000
      5       5.4679      1.94743
      6       7.9252      0.00000
      7       8.5180      0.00000
      8       8.8966      0.00000
      9       9.7618      0.00000
     10      10.1448      0.00000
     11      10.7890      0.00000
     12      11.6523      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.3297      2.00000
      2       2.5054      2.00000
      3       2.7938      2.00000
      4       3.5142      2.00000
      5       6.1064      0.11757
      6       7.9589      0.00000
      7       8.5566      0.00000
      8       8.7583      0.00000
      9       9.0909      0.00000
     10       9.8939      0.00000
     11      11.4702      0.00000
     12      12.0980      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1970      2.00000
      2       2.2173      2.00000
      3       2.6445      2.00000
      4       3.2882      2.00000
      5       7.2258      0.00000
      6       7.9057      0.00000
      7       8.2468      0.00000
      8       8.3089      0.00000
      9       8.7085      0.00000
     10       9.7336      0.00000
     11      12.2256      0.00000
     12      12.7951      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.9792      2.00000
      2       1.3786      2.00000
      3       2.8752      2.00000
      4       3.4110      2.00000
      5       7.1161      0.00001
      6       7.5497      0.00000
      7       8.3935      0.00000
      8       8.3936      0.00000
      9       8.9367      0.00000
     10       9.8982      0.00000
     11      12.1320      0.00000
     12      12.9392      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.6845      2.00000
      2       0.5772      2.00000
      3       3.1946      2.00000
      4       3.6319      2.00000
      5       6.2768      0.02249
      6       6.8842      0.00005
      7       8.6926      0.00000
      8       9.0976      0.00000
      9       9.3239      0.00000
     10      10.5930      0.00000
     11      11.5157      0.00000
     12      12.4055      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.3370      2.00000
      2      -0.1166      2.00000
      3       3.5941      2.00000
      4       3.8861      2.00000
      5       5.5227      1.91077
      6       6.3197      0.01470
      7       9.0824      0.00000
      8       9.4100      0.00000
      9       9.6626      0.00000
     10      10.8450      0.00000
     11      11.7435      0.00000
     12      11.8039      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0293      2.00000
      2      -0.5991      2.00000
      3       4.0203      2.00000
      4       4.0832      2.00000
      5       4.9179      1.99978
      6       5.9648      0.40949
      7       9.5203      0.00000
      8       9.5641      0.00000
      9       9.9356      0.00000
     10      10.2562      0.00000
     11      11.2783      0.00000
     12      12.3196      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -3.1294      2.00000
      2       1.6248      2.00000
      3       2.9575      2.00000
      4       4.2061      2.00000
      5       5.6757      1.64527
      6       7.6480      0.00000
      7       8.4282      0.00000
      8       8.8764      0.00000
      9       9.8300      0.00000
     10      10.2196      0.00000
     11      10.3459      0.00000
     12      11.6932      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -3.0847      2.00000
      2       1.6614      2.00000
      3       2.9394      2.00000
      4       3.6932      2.00000
      5       6.3198      0.01468
      6       7.6499      0.00000
      7       8.1288      0.00000
      8       8.7149      0.00000
      9       9.4649      0.00000
     10      10.1663      0.00000
     11      10.9586      0.00000
     12      12.1545      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9513      2.00000
      2       1.7463      2.00000
      3       2.5505      2.00000
      4       3.3230      2.00000
      5       7.1605      0.00000
      6       7.3948      0.00000
      7       7.9000      0.00000
      8       8.5874      0.00000
      9       8.9355      0.00000
     10      10.3243      0.00000
     11      11.8906      0.00000
     12      12.8387      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7323      2.00000
      2       1.5104      2.00000
      3       2.1704      2.00000
      4       3.4432      2.00000
      5       6.3406      0.01195
      6       7.5112      0.00000
      7       8.2052      0.00000
      8       8.6500      0.00000
      9       9.2571      0.00000
     10      10.5199      0.00000
     11      12.4315      0.00000
     12      12.5694      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.4352      2.00000
      2       0.7819      2.00000
      3       2.3844      2.00000
      4       3.6792      2.00000
      5       5.5536      1.88045
      6       6.8821      0.00005
      7       8.4047      0.00000
      8       9.1371      0.00000
      9      10.1478      0.00000
     10      10.8988      0.00000
     11      11.7591      0.00000
     12      12.1735      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.0832      2.00000
      2       0.0973      2.00000
      3       2.7130      2.00000
      4       3.9546      2.00000
      5       4.8750      1.99986
      6       6.2887      0.01998
      7       8.6907      0.00000
      8       9.4877      0.00000
      9      10.6381      0.00000
     10      10.9812      0.00000
     11      11.5285      0.00000
     12      12.2607      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.7674      2.00000
      2      -0.3895      2.00000
      3       3.0150      2.00000
      4       4.1535      2.00000
      5       4.4251      2.00000
      6       5.8999      0.66017
      7       8.9250      0.00000
      8       9.8021      0.00000
      9      10.5094      0.00000
     10      10.8641      0.00000
     11      11.1838      0.00000
     12      12.9251      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.7958      2.00000
      2       0.7315      2.00000
      3       3.2740      2.00000
      4       4.5448      1.99999
      5       5.8585      0.85395
      6       6.8642      0.00006
      7       7.9449      0.00000
      8       8.5832      0.00000
      9       9.7934      0.00000
     10      10.5344      0.00000
     11      11.2226      0.00000
     12      11.9230      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.7507      2.00000
      2       0.7703      2.00000
      3       3.2729      2.00000
      4       3.9886      2.00000
      5       6.3840      0.00776
      6       6.9396      0.00003
      7       7.4652      0.00000
      8       8.8633      0.00000
      9       9.8297      0.00000
     10      10.2761      0.00000
     11      11.5083      0.00000
     12      12.3015      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6161      2.00000
      2       0.8821      2.00000
      3       2.8779      2.00000
      4       3.5810      2.00000
      5       6.2642      0.02546
      6       6.9384      0.00003
      7       7.9556      0.00000
      8       8.9039      0.00000
      9       9.2070      0.00000
     10      11.1581      0.00000
     11      11.6602      0.00000
     12      12.3723      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.3948      2.00000
      2       1.0352      2.00000
      3       2.0785      2.00000
      4       3.7103      2.00000
      5       5.4920      1.93355
      6       7.0604      0.00001
      7       8.1418      0.00000
      8       8.9857      0.00000
      9       9.6175      0.00000
     10      11.5002      0.00000
     11      12.0409      0.00000
     12      12.0519      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.0937      2.00000
      2       0.9466      2.00000
      3       1.6263      2.00000
      4       3.9096      2.00000
      5       4.7897      1.99994
      6       6.9726      0.00002
      7       7.7111      0.00000
      8       9.4640      0.00000
      9      10.6246      0.00000
     10      11.0113      0.00000
     11      12.0688      0.00000
     12      12.3753      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.7341      2.00000
      2       0.3701      2.00000
      3       1.8108      2.00000
      4       3.8473      2.00000
      5       4.5103      2.00000
      6       6.4803      0.00297
      7       7.8246      0.00000
      8       9.7631      0.00000
      9      10.2890      0.00000
     10      11.6955      0.00000
     11      12.1097      0.00000
     12      12.7291      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4041      2.00000
      2      -0.1140      2.00000
      3       2.0579      2.00000
      4       3.5038      2.00000
      5       4.6823      1.99998
      6       6.0718      0.16225
      7       8.0054      0.00000
      8       9.7702      0.00000
      9      10.1865      0.00000
     10      11.3875      0.00000
     11      12.5884      0.00000
     12      13.3003      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.3956      2.00000
      2      -0.0517      2.00000
      3       3.6734      2.00000
      4       4.9646      1.99965
      5       5.6731      1.65277
      6       6.5777      0.00112
      7       7.1248      0.00000
      8       8.4745      0.00000
      9       9.5989      0.00000
     10      10.9235      0.00000
     11      11.7030      0.00000
     12      12.1446      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.3498      2.00000
      2      -0.0123      2.00000
      3       3.6898      2.00000
      4       4.3483      2.00000
      5       5.7944      1.17201
      6       6.5988      0.00091
      7       7.2365      0.00000
      8       8.9173      0.00000
      9       9.7484      0.00000
     10      10.2751      0.00000
     11      11.8786      0.00000
     12      12.6497      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2128      2.00000
      2       0.1038      2.00000
      3       3.2976      2.00000
      4       3.9072      2.00000
      5       5.4476      1.95690
      6       6.3108      0.01605
      7       8.3229      0.00000
      8       9.3008      0.00000
      9       9.3982      0.00000
     10      10.4536      0.00000
     11      11.5745      0.00000
     12      12.3879      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.9869      2.00000
      2       0.2884      2.00000
      3       2.4231      2.00000
      4       4.0121      2.00000
      5       4.7789      1.99995
      6       6.4012      0.00653
      7       8.4362      0.00000
      8       9.4190      0.00000
      9       9.8569      0.00000
     10      10.8952      0.00000
     11      11.3346      0.00000
     12      12.7098      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.6781      2.00000
      2       0.5107      2.00000
      3       1.6255      2.00000
      4       3.7927      2.00000
      5       4.5495      1.99999
      6       6.5723      0.00118
      7       7.6758      0.00000
      8       9.7819      0.00000
      9      10.2127      0.00000
     10      11.1660      0.00000
     11      11.9390      0.00000
     12      12.8678      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.3043      2.00000
      2       0.5639      2.00000
      3       1.1336      2.00000
      4       3.2505      2.00000
      5       4.8144      1.99992
      6       6.6057      0.00085
      7       7.1928      0.00000
      8       9.5042      0.00000
      9      10.3138      0.00000
     10      11.9304      0.00000
     11      12.4418      0.00000
     12      12.8164      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.9473      2.00000
      2       0.1891      2.00000
      3       1.2042      2.00000
      4       2.8686      2.00000
      5       5.1084      1.99852
      6       6.3024      0.01745
      7       7.1891      0.00000
      8       9.1912      0.00000
      9      10.5957      0.00000
     10      11.6893      0.00000
     11      12.5619      0.00000
     12      13.9145      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.0247      2.00000
      2      -0.6159      2.00000
      3       4.0673      2.00000
      4       5.1953      1.99647
      5       5.3937      1.97462
      6       6.4948      0.00257
      7       6.7137      0.00029
      8       8.2341      0.00000
      9       9.6453      0.00000
     10      11.2853      0.00000
     11      11.4928      0.00000
     12      12.3398      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9773      2.00000
      2      -0.5776      2.00000
      3       4.1066      2.00000
      4       4.6990      1.99998
      5       5.1688      1.99729
      6       6.1532      0.07534
      7       7.4679      0.00000
      8       8.7146      0.00000
      9       9.6974      0.00000
     10      10.5914      0.00000
     11      11.4403      0.00000
     12      12.3513      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8352      2.00000
      2      -0.4643      2.00000
      3       3.7137      2.00000
      4       4.2303      2.00000
      5       4.7765      1.99995
      6       5.8799      0.75147
      7       8.6917      0.00000
      8       9.5292      0.00000
      9       9.6660      0.00000
     10       9.9158      0.00000
     11      10.9960      0.00000
     12      12.2027      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.5999      2.00000
      2      -0.2822      2.00000
      3       2.7714      2.00000
      4       4.0147      2.00000
      5       4.5368      2.00000
      6       5.9233      0.56110
      7       8.7123      0.00000
      8       9.9110      0.00000
      9      10.0609      0.00000
     10      10.3606      0.00000
     11      10.6760      0.00000
     12      12.5087      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.2746      2.00000
      2      -0.0456      2.00000
      3       1.9038      2.00000
      4       3.3677      2.00000
      5       4.8146      1.99992
      6       6.0893      0.13802
      7       7.8792      0.00000
      8       9.6429      0.00000
      9      10.3086      0.00000
     10      11.2123      0.00000
     11      11.6083      0.00000
     12      13.1196      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.8699      2.00000
      2       0.2086      2.00000
      3       1.1366      2.00000
      4       2.8070      2.00000
      5       5.1893      1.99668
      6       6.2846      0.02081
      7       7.1468      0.00000
      8       9.1335      0.00000
      9      10.6803      0.00000
     10      11.6278      0.00000
     11      12.5200      0.00000
     12      13.0336      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.4461      2.00000
      2       0.3685      2.00000
      3       0.5618      2.00000
      4       2.4585      2.00000
      5       5.5738      1.85558
      6       6.4148      0.00571
      7       6.5958      0.00094
      8       8.8307      0.00000
      9      11.0618      0.00000
     10      11.7953      0.00000
     11      11.9985      0.00000
     12      14.2298      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.8834      2.00000
      2       1.6365      2.00000
      3       2.1886      2.00000
      4       4.4511      2.00000
      5       5.7746      1.26589
      6       6.8385      0.00008
      7       8.9711      0.00000
      8       9.3155      0.00000
      9       9.5353      0.00000
     10      10.0827      0.00000
     11      10.2943      0.00000
     12      11.5564      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.8386      2.00000
      2       1.6833      2.00000
      3       2.2014      2.00000
      4       3.8807      2.00000
      5       6.2936      0.01905
      6       7.0070      0.00002
      7       8.2602      0.00000
      8       8.8075      0.00000
      9       9.7348      0.00000
     10      10.4167      0.00000
     11      10.9056      0.00000
     12      11.8331      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7046      2.00000
      2       1.8235      2.00000
      3       2.1681      2.00000
      4       3.0929      2.00000
      5       6.6267      0.00069
      6       7.2815      0.00000
      7       7.7229      0.00000
      8       8.2327      0.00000
      9       9.9031      0.00000
     10      10.6983      0.00000
     11      11.9769      0.00000
     12      12.3368      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.4845      2.00000
      2       1.7276      2.00000
      3       2.0559      2.00000
      4       2.8017      2.00000
      5       6.3454      0.01139
      6       6.5615      0.00132
      7       7.5250      0.00000
      8       9.1826      0.00000
      9      10.1314      0.00000
     10      10.8189      0.00000
     11      11.7976      0.00000
     12      12.8757      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.1854      2.00000
      2       1.0009      2.00000
      3       2.3780      2.00000
      4       2.9269      2.00000
      5       5.4867      1.93690
      6       6.1322      0.09214
      7       7.5327      0.00000
      8      10.3830      0.00000
      9      10.4384      0.00000
     10      10.5933      0.00000
     11      11.6957      0.00000
     12      12.9777      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.8294      2.00000
      2       0.3185      2.00000
      3       2.7808      2.00000
      4       3.1382      2.00000
      5       4.7233      1.99997
      6       5.6470      1.72140
      7       7.7360      0.00000
      8      10.1024      0.00000
      9      10.8192      0.00000
     10      11.1087      0.00000
     11      12.5027      0.00000
     12      12.5233      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5060      2.00000
      2      -0.1736      2.00000
      3       3.2115      2.00000
      4       3.3049      2.00000
      5       4.1117      2.00000
      6       5.3327      1.98613
      7       7.9216      0.00000
      8       9.7612      0.00000
      9      11.2295      0.00000
     10      11.3285      0.00000
     11      11.9878      0.00000
     12      13.3950      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.5477      2.00000
      2       0.9307      2.00000
      3       2.3065      2.00000
      4       4.7896      1.99994
      5       5.4699      1.94638
      6       6.5523      0.00145
      7       8.1784      0.00000
      8       9.3999      0.00000
      9       9.4937      0.00000
     10      10.4834      0.00000
     11      10.8726      0.00000
     12      12.0636      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.5025      2.00000
      2       0.9722      2.00000
      3       2.3349      2.00000
      4       4.1764      2.00000
      5       5.6679      1.66752
      6       7.0478      0.00001
      7       7.6266      0.00000
      8       8.9199      0.00000
      9       9.9650      0.00000
     10      10.7229      0.00000
     11      11.3417      0.00000
     12      12.0282      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3675      2.00000
      2       1.0932      2.00000
      3       2.3882      2.00000
      4       3.3151      2.00000
      5       5.7654      1.30806
      6       6.7022      0.00032
      7       7.9537      0.00000
      8       8.3477      0.00000
      9      10.4284      0.00000
     10      11.3389      0.00000
     11      11.5880      0.00000
     12      12.0447      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1454      2.00000
      2       1.2688      2.00000
      3       2.1484      2.00000
      4       2.8742      2.00000
      5       5.5413      1.89354
      6       6.1494      0.07814
      7       7.3080      0.00000
      8       9.5087      0.00000
      9      10.5017      0.00000
     10      10.9299      0.00000
     11      12.2708      0.00000
     12      12.6271      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.8428      2.00000
      2       1.2007      2.00000
      3       1.7827      2.00000
      4       3.0151      2.00000
      5       4.8560      1.99988
      6       5.9473      0.46937
      7       6.8821      0.00005
      8       9.9067      0.00000
      9      10.7379      0.00000
     10      11.2812      0.00000
     11      12.5655      0.00000
     12      13.3412      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.4799      2.00000
      2       0.6045      2.00000
      3       2.0238      2.00000
      4       3.2647      2.00000
      5       4.1948      2.00000
      6       5.5509      1.88338
      7       6.8850      0.00005
      8       9.3797      0.00000
      9      11.2967      0.00000
     10      12.2696      0.00000
     11      12.9503      0.00000
     12      13.2470      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.1433      2.00000
      2       0.1119      2.00000
      3       2.3067      2.00000
      4       3.4594      2.00000
      5       3.7420      2.00000
      6       5.2217      1.99541
      7       6.9970      0.00002
      8       9.0533      0.00000
      9      11.6244      0.00000
     10      12.6097      0.00000
     11      12.8683      0.00000
     12      14.2047      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.1433      2.00000
      2       0.1634      2.00000
      3       2.6701      2.00000
      4       4.8303      1.99991
      5       5.2090      1.99596
      6       6.7425      0.00022
      7       7.3654      0.00000
      8       8.9171      0.00000
      9       9.8796      0.00000
     10      10.8322      0.00000
     11      11.2209      0.00000
     12      12.2115      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0974      2.00000
      2       0.2041      2.00000
      3       2.7058      2.00000
      4       4.4812      2.00000
      5       5.0116      1.99944
      6       6.8066      0.00011
      7       7.4507      0.00000
      8       9.1993      0.00000
      9       9.5787      0.00000
     10      10.8859      0.00000
     11      11.6520      0.00000
     12      11.9098      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9603      2.00000
      2       0.3244      2.00000
      3       2.7942      2.00000
      4       3.6280      2.00000
      5       4.9698      1.99963
      6       6.0688      0.16684
      7       8.3211      0.00000
      8       8.6247      0.00000
      9      10.4800      0.00000
     10      10.6755      0.00000
     11      11.3619      0.00000
     12      12.9228      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7341      2.00000
      2       0.5168      2.00000
      3       2.5716      2.00000
      4       3.1446      2.00000
      5       4.7107      1.99997
      6       5.6249      1.77022
      7       7.4923      0.00000
      8       9.7552      0.00000
      9      10.1321      0.00000
     10      11.1246      0.00000
     11      12.0374      0.00000
     12      13.5574      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.4246      2.00000
      2       0.7539      2.00000
      3       1.8322      2.00000
      4       3.3018      2.00000
      5       4.1614      2.00000
      6       5.6020      1.81299
      7       6.7526      0.00020
      8       9.2974      0.00000
      9      11.1635      0.00000
     10      11.6632      0.00000
     11      12.9777      0.00000
     12      13.9389      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.0489      2.00000
      2       0.8226      2.00000
      3       1.3498      2.00000
      4       3.2720      2.00000
      5       3.9032      2.00000
      6       5.5703      1.86024
      7       6.2675      0.02465
      8       8.7929      0.00000
      9      11.7115      0.00000
     10      12.9018      0.00000
     11      13.3497      0.00000
     12      13.8388      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.6872      2.00000
      2       0.4307      2.00000
      3       1.4564      2.00000
      4       2.9620      2.00000
      5       4.0828      2.00000
      6       5.3273      1.98686
      7       6.1773      0.05967
      8       8.4993      0.00000
      9      12.0498      0.00000
     10      13.0662      0.00000
     11      13.9435      0.00000
     12      14.1579      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.7636      2.00000
      2      -0.4047      2.00000
      3       3.0280      2.00000
      4       4.3067      2.00000
      5       5.6377      1.74292
      6       6.7372      0.00023
      7       6.9643      0.00002
      8       8.5556      0.00000
      9      10.2458      0.00000
     10      11.1035      0.00000
     11      11.4456      0.00000
     12      11.6425      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.7162      2.00000
      2      -0.3653      2.00000
      3       3.0717      2.00000
      4       4.2914      2.00000
      5       4.9981      1.99951
      6       6.3011      0.01767
      7       7.7171      0.00000
      8       9.0585      0.00000
      9       9.6026      0.00000
     10      11.0550      0.00000
     11      11.2505      0.00000
     12      12.1574      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5744      2.00000
      2      -0.2486      2.00000
      3       3.1987      2.00000
      4       3.9331      2.00000
      5       4.3240      2.00000
      6       5.6401      1.73764
      7       8.6212      0.00000
      8       8.9430      0.00000
      9       9.9351      0.00000
     10      10.5165      0.00000
     11      11.3266      0.00000
     12      13.0078      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.3395      2.00000
      2      -0.0602      2.00000
      3       3.0033      2.00000
      4       3.4236      2.00000
      5       4.0240      2.00000
      6       5.2473      1.99407
      7       7.7077      0.00000
      8       9.5114      0.00000
      9      10.3224      0.00000
     10      11.2521      0.00000
     11      11.6090      0.00000
     12      13.3097      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.0147      2.00000
      2       0.1861      2.00000
      3       2.1509      2.00000
      4       3.3889      2.00000
      5       3.8285      2.00000
      6       5.2055      1.99609
      7       6.8701      0.00006
      8       8.9164      0.00000
      9      11.6380      0.00000
     10      11.8809      0.00000
     11      12.3959      0.00000
     12      13.7917      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.6104      2.00000
      2       0.4548      2.00000
      3       1.3873      2.00000
      4       2.9015      2.00000
      5       4.1651      2.00000
      6       5.2979      1.99019
      7       6.1341      0.09041
      8       8.4461      0.00000
      9      12.1331      0.00000
     10      12.9541      0.00000
     11      13.3011      0.00000
     12      13.9038      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.1860      2.00000
      2       0.6286      2.00000
      3       0.8152      2.00000
      4       2.5574      2.00000
      5       4.5433      1.99999
      6       5.3764      1.97860
      7       5.5770      1.85128
      8       8.1817      0.00000
      9      12.5183      0.00000
     10      13.2236      0.00000
     11      13.4189      0.00000
     12      14.7098      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.2082      2.00000
      2       1.0102      2.00000
      3       1.6235      2.00000
      4       4.7214      1.99997
      5       5.1277      1.99820
      6       6.7376      0.00023
      7       8.3771      0.00000
      8       8.6831      0.00000
      9       9.4890      0.00000
     10      10.4693      0.00000
     11      11.7323      0.00000
     12      12.0747      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.1628      2.00000
      2       1.0572      2.00000
      3       1.6539      2.00000
      4       4.3905      2.00000
      5       4.9456      1.99971
      6       7.3384      0.00000
      7       7.6800      0.00000
      8       8.2692      0.00000
      9      10.2476      0.00000
     10      10.9475      0.00000
     11      11.5277      0.00000
     12      11.7850      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0270      2.00000
      2       1.1981      2.00000
      3       1.7354      2.00000
      4       3.5504      2.00000
      5       4.9695      1.99963
      6       6.6907      0.00036
      7       7.4242      0.00000
      8       8.5715      0.00000
      9      10.6639      0.00000
     10      11.3662      0.00000
     11      11.9628      0.00000
     12      11.9882      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8034      2.00000
      2       1.4316      2.00000
      3       1.8036      2.00000
      4       2.7602      2.00000
      5       5.0407      1.99925
      6       5.7466      1.39052
      7       6.7356      0.00023
      8       9.6433      0.00000
      9      10.1283      0.00000
     10      12.0008      0.00000
     11      12.7264      0.00000
     12      12.7989      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.4979      2.00000
      2       1.5238      2.00000
      3       1.7550      2.00000
      4       2.4357      2.00000
      5       4.8824      1.99985
      6       5.0395      1.99926
      7       6.2298      0.03573
      8       9.1895      0.00000
      9      11.2975      0.00000
     10      12.3354      0.00000
     11      13.1283      0.00000
     12      13.7936      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.1295      2.00000
      2       0.9142      2.00000
      3       2.1592      2.00000
      4       2.5613      2.00000
      5       4.1151      2.00000
      6       4.8506      1.99989
      7       6.0532      0.19229
      8       8.6874      0.00000
      9      12.5767      0.00000
     10      12.7045      0.00000
     11      13.5890      0.00000
     12      14.0929      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.7814      2.00000
      2       0.4136      2.00000
      3       2.5903      2.00000
      4       2.7097      2.00000
      5       3.5020      2.00000
      6       4.6329      1.99999
      7       6.0686      0.16718
      8       8.3953      0.00000
      9      13.0762      0.00000
     10      13.1934      0.00000
     11      13.8150      0.00000
     12      14.6236      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.7966      2.00000
      2       0.4362      2.00000
      3       1.7674      2.00000
      4       4.0108      2.00000
      5       5.5469      1.88768
      6       7.0426      0.00001
      7       7.6905      0.00000
      8       8.9455      0.00000
      9       9.1262      0.00000
     10      10.4974      0.00000
     11      11.2728      0.00000
     12      12.2856      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.7506      2.00000
      2       0.4794      2.00000
      3       1.8062      2.00000
      4       4.0046      2.00000
      5       4.9874      1.99956
      6       7.0970      0.00001
      7       7.7338      0.00000
      8       8.3778      0.00000
      9       9.8059      0.00000
     10      10.7217      0.00000
     11      11.2330      0.00000
     12      12.3927      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6131      2.00000
      2       0.6074      2.00000
      3       1.9187      2.00000
      4       3.7735      2.00000
      5       4.3493      2.00000
      6       6.2143      0.04158
      7       7.4904      0.00000
      8       8.8985      0.00000
      9       9.9966      0.00000
     10      11.0182      0.00000
     11      12.2520      0.00000
     12      12.5669      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.3863      2.00000
      2       0.8146      2.00000
      3       2.0814      2.00000
      4       3.0280      2.00000
      5       4.2775      2.00000
      6       5.3765      1.97859
      7       6.6613      0.00049
      8       9.1881      0.00000
      9      10.3395      0.00000
     10      12.1824      0.00000
     11      12.8389      0.00000
     12      13.4452      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.0752      2.00000
      2       1.0793      2.00000
      3       2.0178      2.00000
      4       2.5554      2.00000
      5       4.1427      2.00000
      6       4.7943      1.99994
      7       5.9418      0.48946
      8       8.6094      0.00000
      9      11.7054      0.00000
     10      12.9403      0.00000
     11      13.6229      0.00000
     12      14.4164      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.6961      2.00000
      2       1.1806      2.00000
      3       1.6227      2.00000
      4       2.7478      2.00000
      5       3.6543      2.00000
      6       4.6177      1.99999
      7       5.4346      1.96205
      8       8.1506      0.00000
      9      13.0176      0.00000
     10      13.4628      0.00000
     11      14.4742      0.00000
     12      14.7172      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.3260      2.00000
      2       0.7581      2.00000
      3       1.8033      2.00000
      4       2.9623      2.00000
      5       3.2307      2.00000
      6       4.4595      2.00000
      7       5.2468      1.99410
      8       7.8949      0.00000
      9      13.5552      0.00000
     10      14.4252      0.00000
     11      14.4897      0.00000
     12      15.1807      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.4018      2.00000
      2      -0.1262      2.00000
      3       2.0713      2.00000
      4       3.5025      2.00000
      5       5.9761      0.37385
      6       7.0672      0.00001
      7       7.3132      0.00000
      8       8.7636      0.00000
      9       9.3100      0.00000
     10      10.5942      0.00000
     11      10.6986      0.00000
     12      12.5677      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.3545      2.00000
      2      -0.0850      2.00000
      3       2.1163      2.00000
      4       3.5149      2.00000
      5       5.3269      1.98691
      6       6.5688      0.00123
      7       8.0566      0.00000
      8       8.6521      0.00000
      9       9.3022      0.00000
     10      10.3778      0.00000
     11      11.3271      0.00000
     12      12.7044      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2131      2.00000
      2       0.0373      2.00000
      3       2.2502      2.00000
      4       3.5348      2.00000
      5       4.3617      2.00000
      6       5.7560      1.35008
      7       7.7029      0.00000
      8       9.2170      0.00000
      9       9.5127      0.00000
     10      10.6446      0.00000
     11      12.4971      0.00000
     12      12.8617      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.9786      2.00000
      2       0.2357      2.00000
      3       2.4669      2.00000
      4       3.3107      2.00000
      5       3.6526      2.00000
      6       5.0177      1.99940
      7       6.7834      0.00014
      8       8.8237      0.00000
      9      10.6604      0.00000
     10      11.8016      0.00000
     11      13.0813      0.00000
     12      13.7539      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.6543      2.00000
      2       0.4980      2.00000
      3       2.4695      2.00000
      4       2.7963      2.00000
      5       3.4500      2.00000
      6       4.5437      1.99999
      7       5.9423      0.48743
      8       8.2681      0.00000
      9      12.0805      0.00000
     10      13.0300      0.00000
     11      13.4123      0.00000
     12      14.7977      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.2503      2.00000
      2       0.7910      2.00000
      3       1.7308      2.00000
      4       2.9416      2.00000
      5       3.2808      2.00000
      6       4.4121      2.00000
      7       5.2040      1.99615
      8       7.8472      0.00000
      9      13.4586      0.00000
     10      13.8047      0.00000
     11      14.1893      0.00000
     12      15.1880      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.1755      2.00000
      2       0.9896      2.00000
      3       1.1640      2.00000
      4       2.6709      2.00000
      5       3.5948      2.00000
      6       4.4208      2.00000
      7       4.6405      1.99999
      8       7.6178      0.00000
      9      14.0270      0.00000
     10      14.6620      0.00000
     11      14.8626      0.00000
     12      15.0543      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.3716      2.00000
      2       0.5894      2.00000
      3       1.1424      2.00000
      4       3.3073      2.00000
      5       5.9666      0.40363
      6       7.4106      0.00000
      7       7.9809      0.00000
      8       8.2318      0.00000
      9       9.1358      0.00000
     10       9.9830      0.00000
     11      10.4680      0.00000
     12      12.6595      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.3253      2.00000
      2       0.6366      2.00000
      3       1.1811      2.00000
      4       3.3242      2.00000
      5       5.3610      1.98163
      6       7.2847      0.00000
      7       7.7245      0.00000
      8       8.1271      0.00000
      9       9.9084      0.00000
     10       9.9409      0.00000
     11      10.7456      0.00000
     12      13.0810      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1869      2.00000
      2       0.7778      2.00000
      3       1.2945      2.00000
      4       3.3584      2.00000
      5       4.4434      2.00000
      6       6.2913      0.01948
      7       6.9097      0.00004
      8       9.0808      0.00000
      9       9.5673      0.00000
     10      11.1269      0.00000
     11      11.7822      0.00000
     12      13.9022      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9582      2.00000
      2       1.0119      2.00000
      3       1.4725      2.00000
      4       3.2237      2.00000
      5       3.7627      2.00000
      6       5.3434      1.98458
      7       6.0854      0.14315
      8       8.6239      0.00000
      9      10.7135      0.00000
     10      12.4321      0.00000
     11      13.0089      0.00000
     12      14.1121      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.6437      2.00000
      2       1.3360      2.00000
      3       1.6753      2.00000
      4       2.5831      2.00000
      5       3.7133      2.00000
      6       4.4762      2.00000
      7       5.3494      1.98362
      8       8.0776      0.00000
      9      12.1170      0.00000
     10      13.7308      0.00000
     11      14.3020      0.00000
     12      14.4144      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.2576      2.00000
      2       1.6083      2.00000
      3       1.7409      2.00000
      4       2.1993      2.00000
      5       3.7069      2.00000
      6       3.7840      2.00000
      7       4.7627      1.99995
      8       7.6669      0.00000
      9      13.5614      0.00000
     10      14.6251      0.00000
     11      15.0134      0.00000
     12      15.3921      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.1289      2.00000
      2       1.1458      2.00000
      3       2.1711      2.00000
      4       2.3052      2.00000
      5       3.0939      2.00000
      6       3.8129      2.00000
      7       4.4260      2.00000
      8       7.4446      0.00000
      9      14.8229      0.00000
     10      14.9814      0.00000
     11      15.5078      0.00000
     12      15.7810      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.9485      2.00000
      2       0.1826      2.00000
      3       1.2206      2.00000
      4       2.8345      2.00000
      5       6.3994      0.00665
      6       7.4604      0.00000
      7       7.7482      0.00000
      8       8.4888      0.00000
      9       8.9022      0.00000
     10       9.8164      0.00000
     11       9.8941      0.00000
     12      12.4990      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.9013      2.00000
      2       0.2266      2.00000
      3       1.2662      2.00000
      4       2.8526      2.00000
      5       5.7508      1.37250
      6       6.8798      0.00005
      7       7.8446      0.00000
      8       8.4769      0.00000
      9       9.3238      0.00000
     10       9.8363      0.00000
     11      10.5625      0.00000
     12      12.8753      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7601      2.00000
      2       0.3577      2.00000
      3       1.4021      2.00000
      4       2.9028      2.00000
      5       4.7762      1.99995
      6       5.9640      0.41200
      7       6.8888      0.00005
      8       8.8576      0.00000
      9       9.7401      0.00000
     10      10.8544      0.00000
     11      11.7476      0.00000
     12      13.7405      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5260      2.00000
      2       0.5722      2.00000
      3       1.6259      2.00000
      4       2.9672      2.00000
      5       3.8456      2.00000
      6       5.0799      1.99889
      7       5.9663      0.40461
      8       8.2867      0.00000
      9      11.0775      0.00000
     10      12.1320      0.00000
     11      13.0476      0.00000
     12      14.6457      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.2020      2.00000
      2       0.8607      2.00000
      3       1.9294      2.00000
      4       2.8631      2.00000
      5       3.1599      2.00000
      6       4.3006      2.00000
      7       5.1234      1.99828
      8       7.7779      0.00000
      9      12.4998      0.00000
     10      13.4772      0.00000
     11      14.3853      0.00000
     12      14.9474      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.2024      2.00000
      2       1.1957      2.00000
      3       2.1185      2.00000
      4       2.3563      2.00000
      5       3.0643      2.00000
      6       3.7319      2.00000
      7       4.3849      2.00000
      8       7.4019      0.00000
      9      13.9571      0.00000
     10      14.7996      0.00000
     11      15.3113      0.00000
     12      15.6298      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.6326      2.00000
      2       1.4440      2.00000
      3       1.5928      2.00000
      4       2.6685      2.00000
      5       2.8540      2.00000
      6       3.5667      2.00000
      7       3.8132      2.00000
      8       7.2010      0.00000
      9      15.2799      0.00000
     10      15.6670      0.00000
     11      15.9098      0.00000
     12      16.1433      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.4585      2.00000
      2       0.3782      2.00000
      3       0.5805      2.00000
      4       2.4086      2.00000
      5       6.8482      0.00008
      6       7.7828      0.00000
      7       7.8767      0.00000
      8       8.2118      0.00000
      9       8.9486      0.00000
     10       9.2059      0.00000
     11       9.3299      0.00000
     12      12.3563      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.4113      2.00000
      2       0.4254      2.00000
      3       0.6264      2.00000
      4       2.4261      2.00000
      5       6.2017      0.04704
      6       7.0859      0.00001
      7       7.2435      0.00000
      8       8.8990      0.00000
      9       9.0840      0.00000
     10       9.7246      0.00000
     11       9.9708      0.00000
     12      12.6942      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2698      2.00000
      2       0.5668      2.00000
      3       0.7634      2.00000
      4       2.4763      2.00000
      5       5.2254      1.99523
      6       6.0905      0.13653
      7       6.2822      0.02131
      8       8.5235      0.00000
      9      10.1749      0.00000
     10      10.9553      0.00000
     11      11.1675      0.00000
     12      13.5101      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.0351      2.00000
      2       0.8011      2.00000
      3       0.9893      2.00000
      4       2.5514      2.00000
      5       4.2834      2.00000
      6       5.1409      1.99795
      7       5.3539      1.98288
      8       7.9805      0.00000
      9      11.5202      0.00000
     10      12.2896      0.00000
     11      12.4857      0.00000
     12      14.5648      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.2906      2.00000
      2       1.1256      2.00000
      3       1.2978      2.00000
      4       2.6366      2.00000
      5       3.4222      2.00000
      6       4.2723      2.00000
      7       4.5051      2.00000
      8       7.5078      0.00000
      9      12.9396      0.00000
     10      13.6770      0.00000
     11      13.8657      0.00000
     12      16.2100      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.6999      2.00000
      2       1.5306      2.00000
      3       1.6683      2.00000
      4       2.5896      2.00000
      5       2.7894      2.00000
      6       3.5021      2.00000
      7       3.7590      2.00000
      8       7.1613      0.00000
      9      14.3941      0.00000
     10      15.0663      0.00000
     11      15.2582      0.00000
     12      16.5740      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.1469      2.00000
      2       1.9382      2.00000
      3       1.9602      2.00000
      4       2.0796      2.00000
      5       2.8585      2.00000
      6       2.8895      2.00000
      7       3.1665      2.00000
      8       6.9776      0.00002
      9      15.7760      0.00000
     10      16.3241      0.00000
     11      16.5237      0.00000
     12      16.8699      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.182   5.261  -0.000  -0.000  -0.000
  5.261  22.403  -0.000  -0.000  -0.000
 -0.000  -0.000  -0.304  -0.000   0.000
 -0.000  -0.000  -0.000  -0.304  -0.000
 -0.000  -0.000   0.000  -0.000  -0.304
 total augmentation occupancy for first ion, spin component:           1
  1.012  -0.020   0.000   0.000   0.000
 -0.020   0.000   0.000   0.000   0.000
  0.000   0.000   0.087   0.000   0.000
  0.000   0.000   0.000   0.087   0.000
  0.000   0.000   0.000   0.000   0.082


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1053: real time    0.1053
    FORLOC:  cpu time    0.0020: real time    0.0020
    FORNL :  cpu time    0.1925: real time    0.1925
    STRESS:  cpu time    2.3480: real time    2.3518
    FORCOR:  cpu time    0.0388: real time    0.0388
    FORHAR:  cpu time    0.0115: real time    0.0115
    MIXING:  cpu time    0.0046: real time    0.0046
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.10784    -0.10784    -0.10784
  Ewald     -72.26370   -70.63469   -70.63469    -0.00000     0.00000     0.00000
  Hartree     0.81452     1.35591     1.35591    -0.00000    -0.00000    -0.00000
  E(xc)     -26.99503   -27.03478   -27.03478     0.00000    -0.00000    -0.00000
  Local      -3.36414    -5.29242    -5.29242    -0.00000     0.00000    -0.00000
  n-local    57.95490    57.53012    59.15366     0.05128     0.24061     0.31764
  augment    -3.10160    -3.13490    -3.13490     0.00000     0.00000     0.00000
  Kinetic    44.83128    48.14489    43.64590    -1.00522    -3.97835    -5.54689
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -2.23163    -0.61143    -0.61143     0.00000     0.00000    -0.00000
  in kB     -52.16715   -14.29299   -14.29299     0.00000     0.00000    -0.00000
  external pressure =      -26.92 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       68.54
      direct lattice vectors                 reciprocal lattice vectors
     4.226762610  0.000000000  0.000000000     0.236587689  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.226762610  4.026832140  4.026832140     0.236587689  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.221E-15 -.234E-15 -.750E-16   0.165E-15 -.151E-15 0.209E-16   -.185E-26 0.289E-25 -.646E-25   -.328E-17 -.263E-16 0.383E-18
   -.477E-14 -.254E-13 0.165E-13   -.937E-15 -.628E-15 -.263E-15   -.197E-23 -.778E-24 -.491E-24   0.827E-17 0.207E-15 0.190E-16
   -.619E-14 -.206E-15 -.906E-13   -.964E-15 0.504E-15 -.411E-16   0.142E-23 0.392E-24 -.890E-24   0.395E-16 -.197E-15 -.689E-17
   -.683E-15 -.256E-14 -.254E-14   0.167E-14 0.236E-15 0.374E-15   -.113E-24 -.140E-24 -.128E-24   -.201E-16 0.222E-15 -.853E-18
 -----------------------------------------------------------------------------------------------
   -.119E-13 -.284E-13 -.767E-13   -.700E-16 -.388E-16 0.908E-16   -.667E-24 -.496E-24 -.157E-23   0.244E-16 0.205E-15 0.116E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000      0.000000
      2.11338      2.01342      0.00000        -0.000000      0.000000      0.000000
      2.11338      0.00000      2.01342        -0.000000     -0.000000     -0.000000
      0.00000      2.01342      2.01342         0.000000     -0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.49676041 eV

  energy  without entropy=      -13.45374825  energy(sigma->0) =      -13.47525433
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.5693425E-01 0.569E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.3526683E+01 0.353E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0555: real time    0.0555


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   1/ 13
  Displacement:        1/  2
  Total:               1/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9496829411
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -3.8242137903,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof 16 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    9     1.000000   179.999999     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   10    -1.000000   179.999999     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   11     1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   13     1.000000   179.999999     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   14    -1.000000   179.999999     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   15     1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   16    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    196 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      4.000000
  0.076923  0.076923  0.000000      8.000000
  0.153846  0.076923  0.000000      8.000000
  0.230769  0.076923  0.000000      8.000000
  0.307692  0.076923  0.000000      8.000000
  0.384615  0.076923  0.000000      8.000000
  0.461538  0.076923  0.000000      8.000000
  0.000000  0.153846  0.000000      4.000000
  0.076923  0.153846  0.000000      8.000000
  0.153846  0.153846  0.000000      8.000000
  0.230769  0.153846  0.000000      8.000000
  0.307692  0.153846  0.000000      8.000000
  0.384615  0.153846  0.000000      8.000000
  0.461538  0.153846  0.000000      8.000000
  0.000000  0.230769  0.000000      4.000000
  0.076923  0.230769  0.000000      8.000000
  0.153846  0.230769  0.000000      8.000000
  0.230769  0.230769  0.000000      8.000000
  0.307692  0.230769  0.000000      8.000000
  0.384615  0.230769  0.000000      8.000000
  0.461538  0.230769  0.000000      8.000000
  0.000000  0.307692  0.000000      4.000000
  0.076923  0.307692  0.000000      8.000000
  0.153846  0.307692  0.000000      8.000000
  0.230769  0.307692  0.000000      8.000000
  0.307692  0.307692  0.000000      8.000000
  0.384615  0.307692  0.000000      8.000000
  0.461538  0.307692  0.000000      8.000000
  0.000000  0.384615  0.000000      4.000000
  0.076923  0.384615  0.000000      8.000000
  0.153846  0.384615  0.000000      8.000000
  0.230769  0.384615  0.000000      8.000000
  0.307692  0.384615  0.000000      8.000000
  0.384615  0.384615  0.000000      8.000000
  0.461538  0.384615  0.000000      8.000000
  0.000000  0.461538  0.000000      4.000000
  0.076923  0.461538  0.000000      8.000000
  0.153846  0.461538  0.000000      8.000000
  0.230769  0.461538  0.000000      8.000000
  0.307692  0.461538  0.000000      8.000000
  0.384615  0.461538  0.000000      8.000000
  0.461538  0.461538  0.000000      8.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      8.000000
  0.076923  0.153846  0.076923     16.000000
  0.153846  0.153846  0.076923     16.000000
  0.230769  0.153846  0.076923     16.000000
  0.307692  0.153846  0.076923     16.000000
  0.384615  0.153846  0.076923     16.000000
  0.461538  0.153846  0.076923     16.000000
  0.000000  0.230769  0.076923      8.000000
  0.076923  0.230769  0.076923     16.000000
  0.153846  0.230769  0.076923     16.000000
  0.230769  0.230769  0.076923     16.000000
  0.307692  0.230769  0.076923     16.000000
  0.384615  0.230769  0.076923     16.000000
  0.461538  0.230769  0.076923     16.000000
  0.000000  0.307692  0.076923      8.000000
  0.076923  0.307692  0.076923     16.000000
  0.153846  0.307692  0.076923     16.000000
  0.230769  0.307692  0.076923     16.000000
  0.307692  0.307692  0.076923     16.000000
  0.384615  0.307692  0.076923     16.000000
  0.461538  0.307692  0.076923     16.000000
  0.000000  0.384615  0.076923      8.000000
  0.076923  0.384615  0.076923     16.000000
  0.153846  0.384615  0.076923     16.000000
  0.230769  0.384615  0.076923     16.000000
  0.307692  0.384615  0.076923     16.000000
  0.384615  0.384615  0.076923     16.000000
  0.461538  0.384615  0.076923     16.000000
  0.000000  0.461538  0.076923      8.000000
  0.076923  0.461538  0.076923     16.000000
  0.153846  0.461538  0.076923     16.000000
  0.230769  0.461538  0.076923     16.000000
  0.307692  0.461538  0.076923     16.000000
  0.384615  0.461538  0.076923     16.000000
  0.461538  0.461538  0.076923     16.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      8.000000
  0.076923  0.230769  0.153846     16.000000
  0.153846  0.230769  0.153846     16.000000
  0.230769  0.230769  0.153846     16.000000
  0.307692  0.230769  0.153846     16.000000
  0.384615  0.230769  0.153846     16.000000
  0.461538  0.230769  0.153846     16.000000
  0.000000  0.307692  0.153846      8.000000
  0.076923  0.307692  0.153846     16.000000
  0.153846  0.307692  0.153846     16.000000
  0.230769  0.307692  0.153846     16.000000
  0.307692  0.307692  0.153846     16.000000
  0.384615  0.307692  0.153846     16.000000
  0.461538  0.307692  0.153846     16.000000
  0.000000  0.384615  0.153846      8.000000
  0.076923  0.384615  0.153846     16.000000
  0.153846  0.384615  0.153846     16.000000
  0.230769  0.384615  0.153846     16.000000
  0.307692  0.384615  0.153846     16.000000
  0.384615  0.384615  0.153846     16.000000
  0.461538  0.384615  0.153846     16.000000
  0.000000  0.461538  0.153846      8.000000
  0.076923  0.461538  0.153846     16.000000
  0.153846  0.461538  0.153846     16.000000
  0.230769  0.461538  0.153846     16.000000
  0.307692  0.461538  0.153846     16.000000
  0.384615  0.461538  0.153846     16.000000
  0.461538  0.461538  0.153846     16.000000
  0.000000  0.230769  0.230769      4.000000
  0.076923  0.230769  0.230769      8.000000
  0.153846  0.230769  0.230769      8.000000
  0.230769  0.230769  0.230769      8.000000
  0.307692  0.230769  0.230769      8.000000
  0.384615  0.230769  0.230769      8.000000
  0.461538  0.230769  0.230769      8.000000
  0.000000  0.307692  0.230769      8.000000
  0.076923  0.307692  0.230769     16.000000
  0.153846  0.307692  0.230769     16.000000
  0.230769  0.307692  0.230769     16.000000
  0.307692  0.307692  0.230769     16.000000
  0.384615  0.307692  0.230769     16.000000
  0.461538  0.307692  0.230769     16.000000
  0.000000  0.384615  0.230769      8.000000
  0.076923  0.384615  0.230769     16.000000
  0.153846  0.384615  0.230769     16.000000
  0.230769  0.384615  0.230769     16.000000
  0.307692  0.384615  0.230769     16.000000
  0.384615  0.384615  0.230769     16.000000
  0.461538  0.384615  0.230769     16.000000
  0.000000  0.461538  0.230769      8.000000
  0.076923  0.461538  0.230769     16.000000
  0.153846  0.461538  0.230769     16.000000
  0.230769  0.461538  0.230769     16.000000
  0.307692  0.461538  0.230769     16.000000
  0.384615  0.461538  0.230769     16.000000
  0.461538  0.461538  0.230769     16.000000
  0.000000  0.307692  0.307692      4.000000
  0.076923  0.307692  0.307692      8.000000
  0.153846  0.307692  0.307692      8.000000
  0.230769  0.307692  0.307692      8.000000
  0.307692  0.307692  0.307692      8.000000
  0.384615  0.307692  0.307692      8.000000
  0.461538  0.307692  0.307692      8.000000
  0.000000  0.384615  0.307692      8.000000
  0.076923  0.384615  0.307692     16.000000
  0.153846  0.384615  0.307692     16.000000
  0.230769  0.384615  0.307692     16.000000
  0.307692  0.384615  0.307692     16.000000
  0.384615  0.384615  0.307692     16.000000
  0.461538  0.384615  0.307692     16.000000
  0.000000  0.461538  0.307692      8.000000
  0.076923  0.461538  0.307692     16.000000
  0.153846  0.461538  0.307692     16.000000
  0.230769  0.461538  0.307692     16.000000
  0.307692  0.461538  0.307692     16.000000
  0.384615  0.461538  0.307692     16.000000
  0.461538  0.461538  0.307692     16.000000
  0.000000  0.384615  0.384615      4.000000
  0.076923  0.384615  0.384615      8.000000
  0.153846  0.384615  0.384615      8.000000
  0.230769  0.384615  0.384615      8.000000
  0.307692  0.384615  0.384615      8.000000
  0.384615  0.384615  0.384615      8.000000
  0.461538  0.384615  0.384615      8.000000
  0.000000  0.461538  0.384615      8.000000
  0.076923  0.461538  0.384615     16.000000
  0.153846  0.461538  0.384615     16.000000
  0.230769  0.461538  0.384615     16.000000
  0.307692  0.461538  0.384615     16.000000
  0.384615  0.461538  0.384615     16.000000
  0.461538  0.461538  0.384615     16.000000
  0.000000  0.461538  0.461538      4.000000
  0.076923  0.461538  0.461538      8.000000
  0.153846  0.461538  0.461538      8.000000
  0.230769  0.461538  0.461538      8.000000
  0.307692  0.461538  0.461538      8.000000
  0.384615  0.461538  0.461538      8.000000
  0.461538  0.461538  0.461538      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.020115  0.000000  0.000000      2.000000
  0.040229  0.000000  0.000000      2.000000
  0.060344  0.000000  0.000000      2.000000
  0.080459  0.000000  0.000000      2.000000
  0.100574  0.000000  0.000000      2.000000
  0.120688  0.000000  0.000000      2.000000
  0.000000  0.019103  0.000000      4.000000
  0.020115  0.019103  0.000000      8.000000
  0.040229  0.019103  0.000000      8.000000
  0.060344  0.019103  0.000000      8.000000
  0.080459  0.019103  0.000000      8.000000
  0.100574  0.019103  0.000000      8.000000
  0.120688  0.019103  0.000000      8.000000
  0.000000  0.038205  0.000000      4.000000
  0.020115  0.038205  0.000000      8.000000
  0.040229  0.038205  0.000000      8.000000
  0.060344  0.038205  0.000000      8.000000
  0.080459  0.038205  0.000000      8.000000
  0.100574  0.038205  0.000000      8.000000
  0.120688  0.038205  0.000000      8.000000
  0.000000  0.057308  0.000000      4.000000
  0.020115  0.057308  0.000000      8.000000
  0.040229  0.057308  0.000000      8.000000
  0.060344  0.057308  0.000000      8.000000
  0.080459  0.057308  0.000000      8.000000
  0.100574  0.057308  0.000000      8.000000
  0.120688  0.057308  0.000000      8.000000
  0.000000  0.076411  0.000000      4.000000
  0.020115  0.076411  0.000000      8.000000
  0.040229  0.076411  0.000000      8.000000
  0.060344  0.076411  0.000000      8.000000
  0.080459  0.076411  0.000000      8.000000
  0.100574  0.076411  0.000000      8.000000
  0.120688  0.076411  0.000000      8.000000
  0.000000  0.095513  0.000000      4.000000
  0.020115  0.095513  0.000000      8.000000
  0.040229  0.095513  0.000000      8.000000
  0.060344  0.095513  0.000000      8.000000
  0.080459  0.095513  0.000000      8.000000
  0.100574  0.095513  0.000000      8.000000
  0.120688  0.095513  0.000000      8.000000
  0.000000  0.114616  0.000000      4.000000
  0.020115  0.114616  0.000000      8.000000
  0.040229  0.114616  0.000000      8.000000
  0.060344  0.114616  0.000000      8.000000
  0.080459  0.114616  0.000000      8.000000
  0.100574  0.114616  0.000000      8.000000
  0.120688  0.114616  0.000000      8.000000
  0.000000  0.019103  0.019103      4.000000
  0.020115  0.019103  0.019103      8.000000
  0.040229  0.019103  0.019103      8.000000
  0.060344  0.019103  0.019103      8.000000
  0.080459  0.019103  0.019103      8.000000
  0.100574  0.019103  0.019103      8.000000
  0.120688  0.019103  0.019103      8.000000
  0.000000  0.038205  0.019103      8.000000
  0.020115  0.038205  0.019103     16.000000
  0.040229  0.038205  0.019103     16.000000
  0.060344  0.038205  0.019103     16.000000
  0.080459  0.038205  0.019103     16.000000
  0.100574  0.038205  0.019103     16.000000
  0.120688  0.038205  0.019103     16.000000
  0.000000  0.057308  0.019103      8.000000
  0.020115  0.057308  0.019103     16.000000
  0.040229  0.057308  0.019103     16.000000
  0.060344  0.057308  0.019103     16.000000
  0.080459  0.057308  0.019103     16.000000
  0.100574  0.057308  0.019103     16.000000
  0.120688  0.057308  0.019103     16.000000
  0.000000  0.076411  0.019103      8.000000
  0.020115  0.076411  0.019103     16.000000
  0.040229  0.076411  0.019103     16.000000
  0.060344  0.076411  0.019103     16.000000
  0.080459  0.076411  0.019103     16.000000
  0.100574  0.076411  0.019103     16.000000
  0.120688  0.076411  0.019103     16.000000
  0.000000  0.095513  0.019103      8.000000
  0.020115  0.095513  0.019103     16.000000
  0.040229  0.095513  0.019103     16.000000
  0.060344  0.095513  0.019103     16.000000
  0.080459  0.095513  0.019103     16.000000
  0.100574  0.095513  0.019103     16.000000
  0.120688  0.095513  0.019103     16.000000
  0.000000  0.114616  0.019103      8.000000
  0.020115  0.114616  0.019103     16.000000
  0.040229  0.114616  0.019103     16.000000
  0.060344  0.114616  0.019103     16.000000
  0.080459  0.114616  0.019103     16.000000
  0.100574  0.114616  0.019103     16.000000
  0.120688  0.114616  0.019103     16.000000
  0.000000  0.038205  0.038205      4.000000
  0.020115  0.038205  0.038205      8.000000
  0.040229  0.038205  0.038205      8.000000
  0.060344  0.038205  0.038205      8.000000
  0.080459  0.038205  0.038205      8.000000
  0.100574  0.038205  0.038205      8.000000
  0.120688  0.038205  0.038205      8.000000
  0.000000  0.057308  0.038205      8.000000
  0.020115  0.057308  0.038205     16.000000
  0.040229  0.057308  0.038205     16.000000
  0.060344  0.057308  0.038205     16.000000
  0.080459  0.057308  0.038205     16.000000
  0.100574  0.057308  0.038205     16.000000
  0.120688  0.057308  0.038205     16.000000
  0.000000  0.076411  0.038205      8.000000
  0.020115  0.076411  0.038205     16.000000
  0.040229  0.076411  0.038205     16.000000
  0.060344  0.076411  0.038205     16.000000
  0.080459  0.076411  0.038205     16.000000
  0.100574  0.076411  0.038205     16.000000
  0.120688  0.076411  0.038205     16.000000
  0.000000  0.095513  0.038205      8.000000
  0.020115  0.095513  0.038205     16.000000
  0.040229  0.095513  0.038205     16.000000
  0.060344  0.095513  0.038205     16.000000
  0.080459  0.095513  0.038205     16.000000
  0.100574  0.095513  0.038205     16.000000
  0.120688  0.095513  0.038205     16.000000
  0.000000  0.114616  0.038205      8.000000
  0.020115  0.114616  0.038205     16.000000
  0.040229  0.114616  0.038205     16.000000
  0.060344  0.114616  0.038205     16.000000
  0.080459  0.114616  0.038205     16.000000
  0.100574  0.114616  0.038205     16.000000
  0.120688  0.114616  0.038205     16.000000
  0.000000  0.057308  0.057308      4.000000
  0.020115  0.057308  0.057308      8.000000
  0.040229  0.057308  0.057308      8.000000
  0.060344  0.057308  0.057308      8.000000
  0.080459  0.057308  0.057308      8.000000
  0.100574  0.057308  0.057308      8.000000
  0.120688  0.057308  0.057308      8.000000
  0.000000  0.076411  0.057308      8.000000
  0.020115  0.076411  0.057308     16.000000
  0.040229  0.076411  0.057308     16.000000
  0.060344  0.076411  0.057308     16.000000
  0.080459  0.076411  0.057308     16.000000
  0.100574  0.076411  0.057308     16.000000
  0.120688  0.076411  0.057308     16.000000
  0.000000  0.095513  0.057308      8.000000
  0.020115  0.095513  0.057308     16.000000
  0.040229  0.095513  0.057308     16.000000
  0.060344  0.095513  0.057308     16.000000
  0.080459  0.095513  0.057308     16.000000
  0.100574  0.095513  0.057308     16.000000
  0.120688  0.095513  0.057308     16.000000
  0.000000  0.114616  0.057308      8.000000
  0.020115  0.114616  0.057308     16.000000
  0.040229  0.114616  0.057308     16.000000
  0.060344  0.114616  0.057308     16.000000
  0.080459  0.114616  0.057308     16.000000
  0.100574  0.114616  0.057308     16.000000
  0.120688  0.114616  0.057308     16.000000
  0.000000  0.076411  0.076411      4.000000
  0.020115  0.076411  0.076411      8.000000
  0.040229  0.076411  0.076411      8.000000
  0.060344  0.076411  0.076411      8.000000
  0.080459  0.076411  0.076411      8.000000
  0.100574  0.076411  0.076411      8.000000
  0.120688  0.076411  0.076411      8.000000
  0.000000  0.095513  0.076411      8.000000
  0.020115  0.095513  0.076411     16.000000
  0.040229  0.095513  0.076411     16.000000
  0.060344  0.095513  0.076411     16.000000
  0.080459  0.095513  0.076411     16.000000
  0.100574  0.095513  0.076411     16.000000
  0.120688  0.095513  0.076411     16.000000
  0.000000  0.114616  0.076411      8.000000
  0.020115  0.114616  0.076411     16.000000
  0.040229  0.114616  0.076411     16.000000
  0.060344  0.114616  0.076411     16.000000
  0.080459  0.114616  0.076411     16.000000
  0.100574  0.114616  0.076411     16.000000
  0.120688  0.114616  0.076411     16.000000
  0.000000  0.095513  0.095513      4.000000
  0.020115  0.095513  0.095513      8.000000
  0.040229  0.095513  0.095513      8.000000
  0.060344  0.095513  0.095513      8.000000
  0.080459  0.095513  0.095513      8.000000
  0.100574  0.095513  0.095513      8.000000
  0.120688  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      8.000000
  0.020115  0.114616  0.095513     16.000000
  0.040229  0.114616  0.095513     16.000000
  0.060344  0.114616  0.095513     16.000000
  0.080459  0.114616  0.095513     16.000000
  0.100574  0.114616  0.095513     16.000000
  0.120688  0.114616  0.095513     16.000000
  0.000000  0.114616  0.114616      4.000000
  0.020115  0.114616  0.114616      8.000000
  0.040229  0.114616  0.114616      8.000000
  0.060344  0.114616  0.114616      8.000000
  0.080459  0.114616  0.114616      8.000000
  0.100574  0.114616  0.114616      8.000000
  0.120688  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.2586: real time    0.2645
    FEWALD:  cpu time    0.0046: real time    0.0046
    GENKIN:  cpu time    0.0396: real time    0.0396
    ORTHCH:  cpu time    1.0177: real time    1.0178
     LOOP+:  cpu time   76.4708: real time   76.5180


--------------------------------------- Iteration      3(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0473: real time    0.0481
    SETDIJ:  cpu time    0.0032: real time    0.0031
     EDDAV:  cpu time   11.9181: real time   11.9224
       DOS:  cpu time    0.0093: real time    0.0093
    CHARGE:  cpu time    0.1026: real time    0.1026
    MIXING:  cpu time    0.0031: real time    0.0031
    --------------------------------------------
      LOOP:  cpu time   12.0837: real time   12.0888

 eigenvalue-minimisations  :  5912
 total energy-change (2. order) :-0.3176995E-01  (-0.3997610E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.0993833 magnetization 

 Broyden mixing:
  rms(total) = 0.12894E+00    rms(broyden)= 0.12894E+00
  rms(prec ) = 0.31002E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77837536
  -Hartree energ DENC   =        -3.62157504
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.58737938
  PAW double counting   =       396.85060736     -295.47741300
  entropy T*S    EENTRO =        -0.04041655
  eigenvalues    EBANDS =        26.32974086
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.52853322 eV

  energy without entropy =      -13.48811667  energy(sigma->0) =      -13.50832495


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0467: real time    0.0470
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   11.8894: real time   11.8927
       DOS:  cpu time    0.0104: real time    0.0104
    CHARGE:  cpu time    0.1023: real time    0.1023
    MIXING:  cpu time    0.0042: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time   12.0566: real time   12.0602

 eigenvalue-minimisations  :  5604
 total energy-change (2. order) : 0.3069141E-01  (-0.1698162E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1007692 magnetization 

 Broyden mixing:
  rms(total) = 0.57238E-01    rms(broyden)= 0.57238E-01
  rms(prec ) = 0.16138E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0976
  1.0976

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77837536
  -Hartree energ DENC   =        -3.46159247
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.55983435
  PAW double counting   =       446.99577392     -345.64299489
  entropy T*S    EENTRO =        -0.04080319
  eigenvalues    EBANDS =        26.19370662
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49784181 eV

  energy without entropy =      -13.45703863  energy(sigma->0) =      -13.47744022


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0474: real time    0.0478
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   11.7705: real time   11.7782
       DOS:  cpu time    0.0093: real time    0.0093
    CHARGE:  cpu time    0.1020: real time    0.1020
    MIXING:  cpu time    0.0042: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time   11.9366: real time   11.9446

 eigenvalue-minimisations  :  5588
 total energy-change (2. order) : 0.1441480E-01  (-0.3973627E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1022227 magnetization 

 Broyden mixing:
  rms(total) = 0.23646E-01    rms(broyden)= 0.23646E-01
  rms(prec ) = 0.43572E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6297
  1.2189  2.0405

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77837536
  -Hartree energ DENC   =        -3.31495542
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.52482068
  PAW double counting   =       475.41424028     -374.08288683
  entropy T*S    EENTRO =        -0.04126934
  eigenvalues    EBANDS =        26.04836243
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48342701 eV

  energy without entropy =      -13.44215767  energy(sigma->0) =      -13.46279234


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0478: real time    0.0481
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   12.0510: real time   12.0579
       DOS:  cpu time    0.0090: real time    0.0090
    CHARGE:  cpu time    0.1031: real time    0.1032
    MIXING:  cpu time    0.0040: real time    0.0040
    --------------------------------------------
      LOOP:  cpu time   12.2182: real time   12.2255

 eigenvalue-minimisations  :  5660
 total energy-change (2. order) : 0.6033097E-03  (-0.2371759E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1028038 magnetization 

 Broyden mixing:
  rms(total) = 0.11310E-01    rms(broyden)= 0.11310E-01
  rms(prec ) = 0.19406E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2500
  1.9392  1.2970  0.5138

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77837536
  -Hartree energ DENC   =        -3.29259772
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.51051088
  PAW double counting   =       476.18131128     -374.85786503
  entropy T*S    EENTRO =        -0.04126304
  eigenvalues    EBANDS =        26.02019915
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48282371 eV

  energy without entropy =      -13.44156067  energy(sigma->0) =      -13.46219219


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0474: real time    0.0478
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   12.0875: real time   12.0943
       DOS:  cpu time    0.0086: real time    0.0086
    CHARGE:  cpu time    0.1026: real time    0.1026
    MIXING:  cpu time    0.0043: real time    0.0043
    --------------------------------------------
      LOOP:  cpu time   12.2542: real time   12.2614

 eigenvalue-minimisations  :  5788
 total energy-change (2. order) : 0.1457829E-03  (-0.1720794E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1030932 magnetization 

 Broyden mixing:
  rms(total) = 0.66680E-02    rms(broyden)= 0.66680E-02
  rms(prec ) = 0.78006E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6905
  1.1760  1.1760  2.4124  1.9977

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77837536
  -Hartree energ DENC   =        -3.28427674
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.50081225
  PAW double counting   =       472.59650376     -371.27817734
  entropy T*S    EENTRO =        -0.04126781
  eigenvalues    EBANDS =        26.00744993
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48267792 eV

  energy without entropy =      -13.44141011  energy(sigma->0) =      -13.46204402


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0491: real time    0.0495
    SETDIJ:  cpu time    0.0029: real time    0.0029
     EDDAV:  cpu time   11.8930: real time   11.8976
       DOS:  cpu time    0.0114: real time    0.0114
    --------------------------------------------
      LOOP:  cpu time   11.9565: real time   11.9614

 eigenvalue-minimisations  :  5620
 total energy-change (2. order) : 0.5560972E-05  (-0.1504085E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1030932 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77837536
  -Hartree energ DENC   =        -3.28652208
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.49665009
  PAW double counting   =       466.93676943     -365.62048790
  entropy T*S    EENTRO =        -0.04126348
  eigenvalues    EBANDS =        26.00757922
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48267236 eV

  energy without entropy =      -13.44140888  energy(sigma->0) =      -13.46204062


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -23.7345       2 -73.7166       3 -73.7166       4 -73.6686
 
 
 
 E-fermi :   6.7179     XC(G=0):  -9.7443     alpha+bet :-14.2434


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4639      2.00000
      2       4.4485      2.00000
      3       4.4485      2.00000
      4       5.2560      2.00000
      5       5.6892      1.99993
      6       6.3994      1.92056
      7       8.0800      0.00000
      8      12.9389      0.00000
      9      12.9389      0.00000
     10      12.9403      0.00000
     11      13.4523      0.00000
     12      13.5888      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4087      2.00000
      2       4.5030      2.00000
      3       4.5030      2.00000
      4       4.5106      2.00000
      5       5.7477      1.99988
      6       6.8350      0.47329
      7       8.5179      0.00000
      8      12.3954      0.00000
      9      12.3954      0.00000
     10      12.9953      0.00000
     11      13.0683      0.00000
     12      13.1655      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2437      2.00000
      2       3.3845      2.00000
      3       4.6664      2.00000
      4       4.6664      2.00000
      5       5.9226      1.99930
      6       7.1494      0.02639
      7       9.7102      0.00000
      8      11.1930      0.00000
      9      11.1930      0.00000
     10      12.2186      0.00000
     11      13.1591      0.00000
     12      13.2829      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.9721      2.00000
      2       2.2884      2.00000
      3       4.9375      2.00000
      4       4.9375      2.00000
      5       6.2122      1.98735
      6       7.3281      0.00447
      7      10.0486      0.00000
      8      10.0486      0.00000
      9      11.2443      0.00000
     10      11.2455      0.00000
     11      13.0497      0.00000
     12      13.4268      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.6015      2.00000
      2       1.2845      2.00000
      3       5.3138      2.00000
      4       5.3138      2.00000
      5       6.6131      1.48094
      6       7.4766      0.00101
      7       9.0108      0.00000
      8       9.0108      0.00000
      9      10.2822      0.00000
     10      12.4547      0.00000
     11      13.0526      0.00000
     12      13.7852      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1553      2.00000
      2       0.4117      2.00000
      3       5.7851      1.99982
      4       5.7851      1.99982
      5       7.1163      0.03656
      6       7.5985      0.00030
      7       8.0969      0.00000
      8       8.0969      0.00000
      9       9.3897      0.00000
     10      12.1341      0.00000
     11      14.1970      0.00000
     12      14.4394      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.7374      2.00000
      2      -0.2207      2.00000
      3       6.2872      1.97343
      4       6.2872      1.97343
      5       7.3731      0.00285
      6       7.3731      0.00285
      7       7.6702      0.00015
      8       7.6732      0.00014
      9       8.6345      0.00000
     10      11.9361      0.00000
     11      14.5399      0.00000
     12      14.8621      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.4151      2.00000
      2       3.7865      2.00000
      3       4.4973      2.00000
      4       5.3045      2.00000
      5       6.0446      1.99762
      6       6.7530      0.82646
      7       8.1971      0.00000
      8      11.7263      0.00000
      9      12.4406      0.00000
     10      12.6573      0.00000
     11      13.6363      0.00000
     12      13.9076      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3598      2.00000
      2       3.8275      2.00000
      3       4.5519      2.00000
      4       4.5862      2.00000
      5       6.1508      1.99314
      6       7.1773      0.02003
      7       8.5811      0.00000
      8      11.6692      0.00000
      9      11.7640      0.00000
     10      12.5415      0.00000
     11      12.8233      0.00000
     12      13.5352      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1948      2.00000
      2       3.4010      2.00000
      3       4.0535      2.00000
      4       4.7152      2.00000
      5       6.3245      1.96161
      6       7.5119      0.00071
      7       9.7303      0.00000
      8      10.5738      0.00000
      9      11.2267      0.00000
     10      11.9927      0.00000
     11      12.5570      0.00000
     12      13.1292      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.9229      2.00000
      2       2.3279      2.00000
      3       4.3002      2.00000
      4       4.9863      2.00000
      5       6.5856      1.57934
      6       7.7001      0.00011
      7       9.4892      0.00000
      8      10.0954      0.00000
      9      11.2669      0.00000
     10      11.6716      0.00000
     11      12.2390      0.00000
     12      13.0735      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.5518      2.00000
      2       1.3276      2.00000
      3       4.6674      2.00000
      4       5.3625      2.00000
      5       6.9061      0.26446
      6       7.8524      0.00002
      7       8.5650      0.00000
      8       9.0590      0.00000
      9      10.7352      0.00000
     10      12.6007      0.00000
     11      12.6499      0.00000
     12      12.9305      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.1048      2.00000
      2       0.4553      2.00000
      3       5.1252      2.00000
      4       5.8337      1.99971
      5       7.0475      0.07144
      6       7.8638      0.00002
      7       8.1451      0.00000
      8       8.1456      0.00000
      9       9.8729      0.00000
     10      12.2911      0.00000
     11      13.0427      0.00000
     12      14.0287      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -1.6851      2.00000
      2      -0.1783      2.00000
      3       5.5996      1.99997
      4       6.3354      1.95729
      5       6.6345      1.39460
      6       7.4222      0.00175
      7       7.9720      0.00001
      8       8.3693      0.00000
      9       9.1512      0.00000
     10      12.0826      0.00000
     11      13.4668      0.00000
     12      14.5271      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2695      2.00000
      2       2.7701      2.00000
      3       4.6435      2.00000
      4       5.4498      1.99999
      5       6.2932      1.97178
      6       7.4341      0.00155
      7       8.7718      0.00000
      8      10.5882      0.00000
      9      11.3288      0.00000
     10      11.9902      0.00000
     11      13.6950      0.00000
     12      14.0850      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2141      2.00000
      2       2.8172      2.00000
      3       4.6980      2.00000
      4       4.7322      2.00000
      5       6.4625      1.85568
      6       8.0039      0.00001
      7       8.9248      0.00000
      8      10.6403      0.00000
      9      10.6483      0.00000
     10      12.2429      0.00000
     11      12.6685      0.00000
     12      13.7820      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.0487      2.00000
      2       2.9247      2.00000
      3       3.6660      2.00000
      4       4.8612      2.00000
      5       6.6276      1.42343
      6       8.5495      0.00000
      7       9.5456      0.00000
      8       9.9104      0.00000
      9      10.7822      0.00000
     10      11.4365      0.00000
     11      12.3415      0.00000
     12      13.2552      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.7762      2.00000
      2       2.4196      2.00000
      3       3.3405      2.00000
      4       5.1323      2.00000
      5       6.7931      0.64103
      6       8.5009      0.00000
      7       8.9321      0.00000
      8      10.2292      0.00000
      9      11.1050      0.00000
     10      11.2861      0.00000
     11      11.9812      0.00000
     12      13.0587      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.4038      2.00000
      2       1.4525      2.00000
      3       3.6660      2.00000
      4       5.5083      1.99999
      5       6.7765      0.71530
      6       7.9539      0.00001
      7       9.0480      0.00000
      8       9.2026      0.00000
      9      11.2921      0.00000
     10      11.4599      0.00000
     11      12.5735      0.00000
     12      13.2760      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9542      2.00000
      2       0.5845      2.00000
      3       4.1031      2.00000
      4       5.9790      1.99876
      5       6.2799      1.97525
      6       7.9706      0.00001
      7       8.2909      0.00000
      8       9.1875      0.00000
      9      10.6604      0.00000
     10      11.9065      0.00000
     11      12.7177      0.00000
     12      13.5455      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.5288      2.00000
      2      -0.0526      2.00000
      3       4.5447      2.00000
      4       5.7100      1.99992
      5       6.4799      1.83057
      6       7.5688      0.00040
      7       8.1945      0.00000
      8       9.2214      0.00000
      9      10.2817      0.00000
     10      12.3416      0.00000
     11      12.5392      0.00000
     12      13.7210      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.0307      2.00000
      2       1.7844      2.00000
      3       4.8856      2.00000
      4       5.6905      1.99993
      5       6.5555      1.67085
      6       7.7514      0.00006
      7       9.5474      0.00000
      8       9.9725      0.00000
      9      10.3007      0.00000
     10      11.1930      0.00000
     11      13.2125      0.00000
     12      14.0834      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9751      2.00000
      2       1.8338      2.00000
      3       4.9401      2.00000
      4       4.9724      2.00000
      5       6.7055      1.06223
      6       8.4264      0.00000
      7       9.6013      0.00000
      8       9.6276      0.00000
      9      10.0492      0.00000
     10      11.5515      0.00000
     11      12.8996      0.00000
     12      13.5494      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       1.9755      2.00000
      3       3.8683      2.00000
      4       5.1032      2.00000
      5       6.8038      0.59503
      6       8.6864      0.00000
      7       9.6427      0.00000
      8       9.7615      0.00000
      9      10.2435      0.00000
     10      11.6503      0.00000
     11      11.8544      0.00000
     12      13.4625      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.5350      2.00000
      2       2.1382      2.00000
      3       2.8687      2.00000
      4       5.3740      2.00000
      5       6.7094      1.04258
      6       7.9986      0.00001
      7      10.0088      0.00000
      8      10.1747      0.00000
      9      10.5206      0.00000
     10      11.1396      0.00000
     11      12.0591      0.00000
     12      13.1144      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.1602      2.00000
      2       1.6280      2.00000
      3       2.7271      2.00000
      4       5.7496      1.99988
      5       6.1480      1.99333
      6       7.9247      0.00001
      7       9.4353      0.00000
      8      10.2646      0.00000
      9      10.4256      0.00000
     10      11.5762      0.00000
     11      12.2908      0.00000
     12      13.7886      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.7057      2.00000
      2       0.7912      2.00000
      3       3.1137      2.00000
      4       5.4172      2.00000
      5       6.2198      1.98637
      6       8.1836      0.00000
      7       8.5302      0.00000
      8      10.0826      0.00000
      9      10.8708      0.00000
     10      11.5893      0.00000
     11      12.5488      0.00000
     12      13.3376      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.2700      2.00000
      2       0.1505      2.00000
      3       3.5173      2.00000
      4       4.8310      2.00000
      5       6.7194      0.99270
      6       7.8104      0.00004
      7       8.4638      0.00000
      8       9.7847      0.00000
      9      11.3133      0.00000
     10      11.6769      0.00000
     11      12.6726      0.00000
     12      12.8662      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.7076      2.00000
      2       0.8882      2.00000
      3       5.2198      2.00000
      4       6.0231      1.99808
      5       6.8868      0.31183
      6       7.9177      0.00001
      7       8.6124      0.00000
      8       9.3740      0.00000
      9      10.3692      0.00000
     10      11.4604      0.00000
     11      12.8214      0.00000
     12      14.4550      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6516      2.00000
      2       0.9384      2.00000
      3       5.2742      2.00000
      4       5.3018      2.00000
      5       6.9626      0.15940
      6       8.6169      0.00000
      7       8.6669      0.00000
      8       8.7787      0.00000
      9      10.7844      0.00000
     10      11.5647      0.00000
     11      13.0936      0.00000
     12      13.2144      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4841      2.00000
      2       1.0864      2.00000
      3       4.1832      2.00000
      4       5.4370      1.99999
      5       6.8421      0.44824
      6       8.0520      0.00000
      7       8.8297      0.00000
      8       9.8028      0.00000
      9      11.2899      0.00000
     10      11.7460      0.00000
     11      11.9672      0.00000
     12      13.5849      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.2077      2.00000
      2       1.3188      2.00000
      3       3.1037      2.00000
      4       5.7074      1.99992
      5       6.2262      1.98547
      6       7.9032      0.00001
      7       9.0978      0.00000
      8      10.6595      0.00000
      9      10.8205      0.00000
     10      11.6508      0.00000
     11      12.2701      0.00000
     12      13.3196      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.8286      2.00000
      2       1.5279      2.00000
      3       2.2276      2.00000
      4       5.3925      2.00000
      5       6.0825      1.99653
      6       8.1304      0.00000
      7       9.4443      0.00000
      8       9.8095      0.00000
      9      10.8558      0.00000
     10      11.7062      0.00000
     11      12.7708      0.00000
     12      13.3094      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.3659      2.00000
      2       1.0456      2.00000
      3       2.2327      2.00000
      4       4.6125      2.00000
      5       6.5517      1.68095
      6       8.4837      0.00000
      7       8.8548      0.00000
      8       9.9442      0.00000
      9      10.5167      0.00000
     10      11.9108      0.00000
     11      12.4067      0.00000
     12      12.9066      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -0.9124      2.00000
      2       0.4169      2.00000
      3       2.5710      2.00000
      4       4.0442      2.00000
      5       7.0502      0.06963
      6       8.1398      0.00000
      7       8.8176      0.00000
      8      10.1153      0.00000
      9      10.3897      0.00000
     10      11.7330      0.00000
     11      12.0750      0.00000
     12      13.2018      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.3271      2.00000
      2       0.1217      2.00000
      3       5.6325      1.99996
      4       6.4352      1.88827
      5       7.2647      0.00841
      6       7.7986      0.00004
      7       8.0428      0.00000
      8       8.5649      0.00000
      9       9.6513      0.00000
     10      12.3155      0.00000
     11      13.2868      0.00000
     12      14.6365      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2702      2.00000
      2       0.1716      2.00000
      3       5.6867      1.99993
      4       5.7041      1.99992
      5       7.1651      0.02260
      6       7.8534      0.00002
      7       8.0796      0.00000
      8       8.7594      0.00000
      9      10.2201      0.00000
     10      12.6087      0.00000
     11      13.2754      0.00000
     12      13.5844      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.1001      2.00000
      2       0.3199      2.00000
      3       4.5699      2.00000
      4       5.8491      1.99966
      5       6.5192      1.75892
      6       7.8896      0.00002
      7       8.0175      0.00000
      8       9.6775      0.00000
      9      11.2124      0.00000
     10      12.3466      0.00000
     11      13.1463      0.00000
     12      13.4267      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.8188      2.00000
      2       0.5601      2.00000
      3       3.4640      2.00000
      4       5.5968      1.99997
      5       6.1187      1.99502
      6       8.0796      0.00000
      7       8.2887      0.00000
      8      10.2220      0.00000
      9      11.2040      0.00000
     10      12.5580      0.00000
     11      12.7128      0.00000
     12      13.5658      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.4315      2.00000
      2       0.8717      2.00000
      3       2.4588      2.00000
      4       4.7032      2.00000
      5       6.4926      1.80981
      6       8.4156      0.00000
      7       8.6609      0.00000
      8      10.1736      0.00000
      9      10.5099      0.00000
     10      12.0520      0.00000
     11      12.5179      0.00000
     12      13.9424      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.9540      2.00000
      2       1.1132      2.00000
      3       1.6967      2.00000
      4       3.9287      2.00000
      5       6.9609      0.16189
      6       8.8383      0.00000
      7       9.0850      0.00000
      8       9.3001      0.00000
      9      10.5655      0.00000
     10      11.5002      0.00000
     11      11.6085      0.00000
     12      13.9451      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.4678      2.00000
      2       0.7088      2.00000
      3       1.7325      2.00000
      4       3.3982      2.00000
      5       7.4595      0.00120
      6       8.5343      0.00000
      7       9.2510      0.00000
      8       9.5849      0.00000
      9      10.3029      0.00000
     10      10.9301      0.00000
     11      11.3164      0.00000
     12      13.8508      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9912      2.00000
      2      -0.4082      2.00000
      3       6.0488      1.99752
      4       6.8558      0.40255
      5       7.1815      0.01921
      6       7.5774      0.00037
      7       7.9455      0.00001
      8       8.1489      0.00000
      9       9.1227      0.00000
     10      12.2137      0.00000
     11      14.8934      0.00000
     12      14.9797      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9327      2.00000
      2      -0.3596      2.00000
      3       6.1014      1.99581
      4       6.1026      1.99575
      5       7.0610      0.06270
      6       7.2368      0.01109
      7       7.8026      0.00004
      8       8.8528      0.00000
      9       9.8418      0.00000
     10      12.4728      0.00000
     11      13.9079      0.00000
     12      14.7701      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.7578      2.00000
      2      -0.2151      2.00000
      3       4.9420      2.00000
      4       6.0720      1.99687
      5       6.2638      1.97890
      6       7.4023      0.00213
      7       7.9801      0.00001
      8       9.4985      0.00000
      9      11.2062      0.00000
     10      12.6883      0.00000
     11      13.2082      0.00000
     12      14.1486      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.4675      2.00000
      2       0.0199      2.00000
      3       3.8055      2.00000
      4       5.1010      2.00000
      5       6.5316      1.73128
      6       7.6759      0.00014
      7       8.2661      0.00000
      8       9.9030      0.00000
      9      11.5564      0.00000
     10      12.7620      0.00000
     11      13.0139      0.00000
     12      13.1842      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.0650      2.00000
      2       0.3316      2.00000
      3       2.7534      2.00000
      4       4.2171      2.00000
      5       6.9036      0.27015
      6       8.0521      0.00000
      7       8.6593      0.00000
      8      10.1691      0.00000
      9      10.5325      0.00000
     10      11.9557      0.00000
     11      12.2390      0.00000
     12      14.1867      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.5590      2.00000
      2       0.6819      2.00000
      3       1.8127      2.00000
      4       3.4757      2.00000
      5       7.3710      0.00291
      6       8.5118      0.00000
      7       9.1524      0.00000
      8       9.6296      0.00000
      9      10.3455      0.00000
     10      11.0402      0.00000
     11      11.3827      0.00000
     12      13.9598      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.0030      2.00000
      2       0.9005      2.00000
      3       1.1045      2.00000
      4       2.9937      2.00000
      5       7.8759      0.00002
      6       8.8889      0.00000
      7       8.9786      0.00000
      8       9.7029      0.00000
      9      10.3630      0.00000
     10      10.3848      0.00000
     11      10.7013      0.00000
     12      13.7945      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3662      2.00000
      2       3.6908      2.00000
      3       4.0098      2.00000
      4       5.3530      2.00000
      5       6.6354      1.39054
      6       6.8525      0.41323
      7       8.2959      0.00000
      8      11.0289      0.00000
      9      12.3540      0.00000
     10      12.6882      0.00000
     11      12.9885      0.00000
     12      13.8736      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3109      2.00000
      2       3.7471      2.00000
      3       4.0204      2.00000
      4       4.6861      2.00000
      5       6.6911      1.13327
      6       7.3446      0.00379
      7       8.6342      0.00000
      8      11.0466      0.00000
      9      11.6009      0.00000
     10      12.0136      0.00000
     11      13.1256      0.00000
     12      13.9884      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.1457      2.00000
      2       3.4309      2.00000
      3       3.9160      2.00000
      4       4.3103      2.00000
      5       6.8567      0.39954
      6       7.7068      0.00010
      7       9.7400      0.00000
      8      10.4601      0.00000
      9      10.7158      0.00000
     10      11.4436      0.00000
     11      13.0274      0.00000
     12      13.4518      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.8737      2.00000
      2       2.3685      2.00000
      3       4.1966      2.00000
      4       4.5275      2.00000
      5       7.1249      0.03360
      6       7.8657      0.00002
      7       9.3557      0.00000
      8       9.7718      0.00000
      9      11.1456      0.00000
     10      11.7394      0.00000
     11      12.1206      0.00000
     12      13.4903      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.5022      2.00000
      2       1.3712      2.00000
      3       4.5875      2.00000
      4       4.8593      2.00000
      5       7.4454      0.00138
      6       7.8916      0.00002
      7       8.3954      0.00000
      8       8.9800      0.00000
      9      11.1615      0.00000
     10      11.7926      0.00000
     11      12.8446      0.00000
     12      13.2258      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0544      2.00000
      2       0.4993      2.00000
      3       5.0839      2.00000
      4       5.2580      2.00000
      5       7.2160      0.01364
      6       7.5725      0.00039
      7       8.1974      0.00000
      8       8.6338      0.00000
      9      10.2654      0.00000
     10      12.1344      0.00000
     11      12.6304      0.00000
     12      14.7034      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -1.6329      2.00000
      2      -0.1356      2.00000
      3       5.6169      1.99997
      4       5.6583      1.99995
      5       6.4891      1.81582
      6       7.1216      0.03469
      7       8.6066      0.00000
      8       8.7300      0.00000
      9       9.4672      0.00000
     10      12.1690      0.00000
     11      12.7519      0.00000
     12      14.2424      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.2205      2.00000
      2       2.7979      2.00000
      3       4.0400      2.00000
      4       5.4982      1.99999
      5       6.9257      0.22252
      6       7.5180      0.00067
      7       8.7988      0.00000
      8      10.0533      0.00000
      9      11.3709      0.00000
     10      12.5129      0.00000
     11      12.6875      0.00000
     12      13.7029      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1651      2.00000
      2       2.8469      2.00000
      3       4.0681      2.00000
      4       4.8285      2.00000
      5       7.1249      0.03359
      6       8.0430      0.00000
      7       8.9281      0.00000
      8      10.0722      0.00000
      9      10.7615      0.00000
     10      11.9909      0.00000
     11      12.7634      0.00000
     12      14.1361      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9996      2.00000
      2       2.9653      2.00000
      3       3.6483      2.00000
      4       4.3311      2.00000
      5       7.2931      0.00634
      6       8.5945      0.00000
      7       9.5897      0.00000
      8       9.6952      0.00000
      9      10.3543      0.00000
     10      11.0535      0.00000
     11      12.9423      0.00000
     12      13.7249      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.7268      2.00000
      2       2.4654      2.00000
      3       3.3568      2.00000
      4       4.5491      2.00000
      5       7.4330      0.00157
      6       8.5651      0.00000
      7       8.8680      0.00000
      8       9.8054      0.00000
      9      10.4364      0.00000
     10      11.5912      0.00000
     11      12.5970      0.00000
     12      13.4370      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.3541      2.00000
      2       1.4973      2.00000
      3       3.6945      2.00000
      4       4.8871      2.00000
      5       7.1632      0.02303
      6       8.2689      0.00000
      7       8.4764      0.00000
      8       9.4551      0.00000
      9      10.7910      0.00000
     10      11.7852      0.00000
     11      13.0690      0.00000
     12      13.4117      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.9037      2.00000
      2       0.6292      2.00000
      3       4.1398      2.00000
      4       5.2909      2.00000
      5       6.4627      1.85550
      6       7.7087      0.00010
      7       8.5993      0.00000
      8       9.5402      0.00000
      9      10.9606      0.00000
     10      11.2497      0.00000
     11      12.9294      0.00000
     12      13.8446      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.4767      2.00000
      2      -0.0093      2.00000
      3       4.5896      2.00000
      4       5.5724      1.99998
      5       5.9448      1.99912
      6       7.1419      0.02841
      7       8.9332      0.00000
      8       9.6704      0.00000
      9      10.3987      0.00000
     10      11.6510      0.00000
     11      12.4740      0.00000
     12      13.4704      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9814      2.00000
      2       1.8234      2.00000
      3       4.2680      2.00000
      4       5.7389      1.99989
      5       7.1786      0.01977
      6       7.7981      0.00004
      7       9.0718      0.00000
      8      10.0660      0.00000
      9      10.3477      0.00000
     10      11.6840      0.00000
     11      12.9116      0.00000
     12      13.2643      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9257      2.00000
      2       1.8734      2.00000
      3       4.3020      2.00000
      4       5.0578      2.00000
      5       7.3813      0.00263
      6       8.3337      0.00000
      7       9.1506      0.00000
      8       9.7239      0.00000
      9      10.1881      0.00000
     10      11.9847      0.00000
     11      12.2316      0.00000
     12      13.6985      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7595      2.00000
      2       2.0173      2.00000
      3       3.8729      2.00000
      4       4.5376      2.00000
      5       7.4549      0.00126
      6       8.6927      0.00000
      7       9.1127      0.00000
      8       9.8196      0.00000
      9      10.3625      0.00000
     10      11.1921      0.00000
     11      12.3870      0.00000
     12      13.9919      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.4855      2.00000
      2       2.1871      2.00000
      3       2.8962      2.00000
      4       4.7585      2.00000
      5       7.1351      0.03037
      6       8.3062      0.00000
      7       9.3298      0.00000
      8       9.7991      0.00000
      9      10.5374      0.00000
     10      11.5768      0.00000
     11      12.5591      0.00000
     12      13.4214      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.1103      2.00000
      2       1.6761      2.00000
      3       2.7624      2.00000
      4       5.0750      2.00000
      5       6.3900      1.92741
      6       8.4449      0.00000
      7       8.8170      0.00000
      8       9.8559      0.00000
      9      10.6178      0.00000
     10      12.1383      0.00000
     11      12.7375      0.00000
     12      13.5164      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6552      2.00000
      2       0.8373      2.00000
      3       3.1555      2.00000
      4       5.2432      2.00000
      5       5.8595      1.99963
      6       7.9510      0.00001
      7       8.8644      0.00000
      8      10.2260      0.00000
      9      10.6294      0.00000
     10      11.7613      0.00000
     11      12.7854      0.00000
     12      13.1791      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.2179      2.00000
      2       0.1950      2.00000
      3       3.5653      2.00000
      4       4.8242      2.00000
      5       6.0898      1.99627
      6       7.3403      0.00395
      7       9.2079      0.00000
      8      10.2916      0.00000
      9      10.6899      0.00000
     10      11.7104      0.00000
     11      12.1451      0.00000
     12      13.4963      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6578      2.00000
      2       0.9302      2.00000
      3       4.5897      2.00000
      4       6.0715      1.99689
      5       7.4625      0.00117
      6       7.7178      0.00009
      7       8.5322      0.00000
      8       9.4221      0.00000
      9      10.8355      0.00000
     10      11.5094      0.00000
     11      12.8814      0.00000
     12      13.2249      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6018      2.00000
      2       0.9807      2.00000
      3       4.6296      2.00000
      4       5.3693      2.00000
      5       7.6365      0.00021
      6       7.8983      0.00001
      7       8.7800      0.00000
      8       9.1287      0.00000
      9      11.2065      0.00000
     10      11.5701      0.00000
     11      12.4690      0.00000
     12      13.2926      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.4343      2.00000
      2       1.1297      2.00000
      3       4.2020      2.00000
      4       4.8299      2.00000
      5       7.2869      0.00674
      6       8.0729      0.00000
      7       8.5411      0.00000
      8      10.1564      0.00000
      9      11.1729      0.00000
     10      11.6002      0.00000
     11      12.0928      0.00000
     12      13.9830      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.1577      2.00000
      2       1.3643      2.00000
      3       3.1409      2.00000
      4       5.0408      2.00000
      5       6.4677      1.84864
      6       8.3173      0.00000
      7       8.6630      0.00000
      8      10.1832      0.00000
      9      11.2521      0.00000
     10      11.8989      0.00000
     11      12.5196      0.00000
     12      13.4996      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.7784      2.00000
      2       1.5791      2.00000
      3       2.2643      2.00000
      4       5.1617      2.00000
      5       5.8081      1.99978
      6       8.6845      0.00000
      7       8.8102      0.00000
      8       9.3539      0.00000
      9      11.5813      0.00000
     10      12.1301      0.00000
     11      12.6213      0.00000
     12      13.1210      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.3152      2.00000
      2       1.0945      2.00000
      3       2.2755      2.00000
      4       4.6072      2.00000
      5       6.0029      1.99843
      6       8.2485      0.00000
      7       9.1429      0.00000
      8       9.3986      0.00000
      9      11.2162      0.00000
     10      11.8570      0.00000
     11      12.5430      0.00000
     12      13.1009      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -0.8605      2.00000
      2       0.4633      2.00000
      3       2.6204      2.00000
      4       4.0581      2.00000
      5       6.4136      1.90894
      6       7.6228      0.00023
      7       9.5380      0.00000
      8       9.7505      0.00000
      9      10.6508      0.00000
     10      11.4092      0.00000
     11      12.7984      0.00000
     12      13.2879      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2764      2.00000
      2       0.1641      2.00000
      3       4.9827      2.00000
      4       6.4834      1.82514
      5       7.0606      0.06293
      6       7.9823      0.00001
      7       8.4581      0.00000
      8       8.6134      0.00000
      9      10.0434      0.00000
     10      12.4292      0.00000
     11      13.2803      0.00000
     12      13.5970      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2195      2.00000
      2       0.2143      2.00000
      3       5.0288      2.00000
      4       5.7441      1.99988
      5       7.1745      0.02059
      6       7.7097      0.00010
      7       8.4487      0.00000
      8       9.1055      0.00000
      9      10.5174      0.00000
     10      12.6137      0.00000
     11      12.8159      0.00000
     12      13.4867      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.0494      2.00000
      2       0.3632      2.00000
      3       4.6035      2.00000
      4       5.1810      2.00000
      5       6.6768      1.20301
      6       7.5177      0.00067
      7       8.5413      0.00000
      8      10.1375      0.00000
      9      11.3519      0.00000
     10      11.6754      0.00000
     11      13.3575      0.00000
     12      13.5145      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.7681      2.00000
      2       0.6048      2.00000
      3       3.5064      2.00000
      4       5.2812      2.00000
      5       5.8930      1.99948
      6       7.7528      0.00006
      7       8.7775      0.00000
      8      10.4909      0.00000
      9      10.8979      0.00000
     10      12.5630      0.00000
     11      13.0237      0.00000
     12      13.2976      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.3807      2.00000
      2       0.9189      2.00000
      3       2.5030      2.00000
      4       4.6916      2.00000
      5       5.9457      1.99911
      6       8.0900      0.00000
      7       9.1056      0.00000
      8       9.5799      0.00000
      9      11.1746      0.00000
     10      12.0312      0.00000
     11      12.6968      0.00000
     12      14.0267      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.9030      2.00000
      2       1.1654      2.00000
      3       1.7397      2.00000
      4       3.9454      2.00000
      5       6.3656      1.94270
      6       8.3894      0.00000
      7       8.8071      0.00000
      8       9.5287      0.00000
      9      11.1061      0.00000
     10      11.3657      0.00000
     11      12.1996      0.00000
     12      14.2950      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.4160      2.00000
      2       0.7582      2.00000
      3       1.7826      2.00000
      4       3.4174      2.00000
      5       6.8245      0.51223
      6       7.9449      0.00001
      7       8.9382      0.00000
      8       9.9552      0.00000
      9      10.4902      0.00000
     10      11.1332      0.00000
     11      12.0599      0.00000
     12      14.2417      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.9387      2.00000
      2      -0.3670      2.00000
      3       5.3623      2.00000
      4       6.5446      1.69970
      5       6.9036      0.27016
      6       7.9945      0.00001
      7       8.2901      0.00000
      8       8.6624      0.00000
      9       9.3619      0.00000
     10      12.3187      0.00000
     11      13.9289      0.00000
     12      14.8721      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8802      2.00000
      2      -0.3181      2.00000
      3       5.4111      2.00000
      4       6.1253      1.99468
      5       6.5609      1.65569
      6       7.4035      0.00210
      7       8.5159      0.00000
      8       9.2742      0.00000
      9       9.9675      0.00000
     10      12.5317      0.00000
     11      13.1747      0.00000
     12      14.6691      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.7054      2.00000
      2      -0.1730      2.00000
      3       4.9820      2.00000
      4       5.5487      1.99998
      5       6.0569      1.99731
      6       7.0859      0.04924
      7       8.7300      0.00000
      8       9.9822      0.00000
      9      11.2663      0.00000
     10      12.0149      0.00000
     11      13.0645      0.00000
     12      13.8841      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.4152      2.00000
      2       0.0632      2.00000
      3       3.8531      2.00000
      4       5.0759      2.00000
      5       5.9047      1.99941
      6       7.2526      0.00948
      7       9.0165      0.00000
      8      10.4022      0.00000
      9      10.9302      0.00000
     10      12.4620      0.00000
     11      12.8625      0.00000
     12      13.8704      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.0129      2.00000
      2       0.3769      2.00000
      3       2.8029      2.00000
      4       4.2284      2.00000
      5       6.2628      1.97911
      6       7.5654      0.00042
      7       9.3954      0.00000
      8       9.8894      0.00000
      9      10.6741      0.00000
     10      11.6466      0.00000
     11      12.9559      0.00000
     12      14.4900      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.5070      2.00000
      2       0.7304      2.00000
      3       1.8630      2.00000
      4       3.4947      2.00000
      5       6.7327      0.92638
      6       7.9424      0.00001
      7       8.9877      0.00000
      8       9.8736      0.00000
      9      10.5201      0.00000
     10      11.2285      0.00000
     11      12.1133      0.00000
     12      14.3670      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1       0.0488      2.00000
      2       0.9530      2.00000
      3       1.1551      2.00000
      4       3.0124      2.00000
      5       7.2471      0.01002
      6       8.1869      0.00000
      7       8.3422      0.00000
      8      10.0337      0.00000
      9      10.4590      0.00000
     10      11.1786      0.00000
     11      11.4614      0.00000
     12      14.1561      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0743      2.00000
      2       2.7121      2.00000
      3       3.2624      2.00000
      4       5.6434      1.99996
      5       7.4102      0.00197
      6       8.1730      0.00000
      7       8.7906      0.00000
      8       9.4804      0.00000
      9      11.3833      0.00000
     10      11.6877      0.00000
     11      12.9259      0.00000
     12      13.7215      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0188      2.00000
      2       2.7694      2.00000
      3       3.2925      2.00000
      4       4.9682      2.00000
      5       8.0947      0.00000
      6       8.2205      0.00000
      7       8.8420      0.00000
      8       9.5441      0.00000
      9      10.6783      0.00000
     10      11.2431      0.00000
     11      13.3050      0.00000
     12      14.1058      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8530      2.00000
      2       2.9411      2.00000
      3       3.2854      2.00000
      4       4.0019      2.00000
      5       8.3389      0.00000
      6       8.7683      0.00000
      7       9.0007      0.00000
      8       9.5921      0.00000
      9       9.8752      0.00000
     10      10.7991      0.00000
     11      13.5561      0.00000
     12      14.4103      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.5796      2.00000
      2       2.5874      2.00000
      3       3.2265      2.00000
      4       3.8332      2.00000
      5       8.1568      0.00000
      6       8.4602      0.00000
      7       8.9341      0.00000
      8       9.2885      0.00000
      9       9.9463      0.00000
     10      11.7813      0.00000
     11      13.4645      0.00000
     12      14.0062      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.2057      2.00000
      2       1.6280      2.00000
      3       3.6246      2.00000
      4       4.0899      2.00000
      5       7.2588      0.00892
      6       7.7759      0.00005
      7       9.1819      0.00000
      8       9.6509      0.00000
      9      10.0172      0.00000
     10      12.6190      0.00000
     11      13.2857      0.00000
     12      13.5906      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7529      2.00000
      2       0.7614      2.00000
      3       4.1323      2.00000
      4       4.4203      2.00000
      5       6.3427      1.95414
      6       7.1074      0.03988
      7       9.6551      0.00000
      8       9.9918      0.00000
      9      10.2420      0.00000
     10      11.7489      0.00000
     11      12.6160      0.00000
     12      13.7238      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.3206      2.00000
      2       0.1191      2.00000
      3       4.6926      2.00000
      4       4.7335      2.00000
      5       5.5311      1.99999
      6       6.6564      1.29849
      7      10.1169      0.00000
      8      10.2496      0.00000
      9      10.6486      0.00000
     10      10.9538      0.00000
     11      11.9484      0.00000
     12      13.5172      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.8344      2.00000
      2       1.9242      2.00000
      3       3.2979      2.00000
      4       5.8839      1.99952
      5       7.3380      0.00405
      6       8.3500      0.00000
      7       8.8268      0.00000
      8      10.2081      0.00000
      9      10.4854      0.00000
     10      11.7875      0.00000
     11      12.3697      0.00000
     12      13.4680      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7786      2.00000
      2       1.9766      2.00000
      3       3.3382      2.00000
      4       5.1912      2.00000
      5       7.7419      0.00007
      6       8.5634      0.00000
      7       9.0117      0.00000
      8       9.8816      0.00000
      9      10.2603      0.00000
     10      11.3015      0.00000
     11      12.8403      0.00000
     12      13.8541      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.6122      2.00000
      2       2.1292      2.00000
      3       3.4150      2.00000
      4       4.1559      2.00000
      5       7.9952      0.00001
      6       8.4284      0.00000
      7       9.2524      0.00000
      8       9.7415      0.00000
      9      10.1116      0.00000
     10      11.0259      0.00000
     11      13.2956      0.00000
     12      14.5886      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.3376      2.00000
      2       2.3286      2.00000
      3       2.9367      2.00000
      4       3.8470      2.00000
      5       7.4483      0.00134
      6       8.2946      0.00000
      7       8.9502      0.00000
      8       9.4204      0.00000
      9      10.6824      0.00000
     10      11.9453      0.00000
     11      13.5060      0.00000
     12      13.7510      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.9615      2.00000
      2       1.8182      2.00000
      3       2.8534      2.00000
      4       4.1203      2.00000
      5       6.5381      1.71598
      6       7.8123      0.00004
      7       8.9190      0.00000
      8       9.6999      0.00000
      9      10.9300      0.00000
     10      12.6575      0.00000
     11      13.2276      0.00000
     12      13.5169      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.5042      2.00000
      2       0.9741      2.00000
      3       3.2737      2.00000
      4       4.4694      2.00000
      5       5.7109      1.99992
      6       7.0957      0.04471
      7       9.2862      0.00000
      8      10.0842      0.00000
      9      11.1637      0.00000
     10      11.8388      0.00000
     11      12.5582      0.00000
     12      14.1861      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.0622      2.00000
      2       0.3272      2.00000
      3       3.7068      2.00000
      4       4.6937      2.00000
      5       5.1619      2.00000
      6       6.5896      1.56590
      7       9.6271      0.00000
      8      10.4958      0.00000
      9      11.1532      0.00000
     10      11.3839      0.00000
     11      12.0190      0.00000
     12      14.0660      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.5092      2.00000
      2       1.0518      2.00000
      3       3.5878      2.00000
      4       6.2162      1.98684
      5       6.7912      0.64939
      6       8.4188      0.00000
      7       9.0349      0.00000
      8       9.5652      0.00000
      9      11.5271      0.00000
     10      11.7025      0.00000
     11      12.0994      0.00000
     12      13.1413      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4531      2.00000
      2       1.1034      2.00000
      3       3.6327      2.00000
      4       5.4849      1.99999
      5       7.0041      0.10811
      6       8.6496      0.00000
      7       9.0078      0.00000
      8       9.5395      0.00000
      9      11.2460      0.00000
     10      11.9183      0.00000
     11      12.0499      0.00000
     12      13.4789      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2855      2.00000
      2       1.2557      2.00000
      3       3.7396      2.00000
      4       4.4194      2.00000
      5       7.1092      0.03919
      6       7.8456      0.00003
      7       9.4063      0.00000
      8      10.2633      0.00000
      9      10.5107      0.00000
     10      12.0304      0.00000
     11      12.6488      0.00000
     12      13.7928      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.0086      2.00000
      2       1.4976      2.00000
      3       3.2311      2.00000
      4       4.0877      2.00000
      5       6.5940      1.55070
      6       7.6076      0.00027
      7       9.2232      0.00000
      8       9.7092      0.00000
      9      11.8334      0.00000
     10      12.2268      0.00000
     11      12.7595      0.00000
     12      13.3754      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.6286      2.00000
      2       1.7319      2.00000
      3       2.3685      2.00000
      4       4.3501      2.00000
      5       5.7579      1.99986
      6       7.7206      0.00009
      7       8.4670      0.00000
      8      10.0062      0.00000
      9      11.7827      0.00000
     10      12.4235      0.00000
     11      13.0327      0.00000
     12      13.7541      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.1639      2.00000
      2       1.2401      2.00000
      3       2.4012      2.00000
      4       4.4566      2.00000
      5       5.2419      2.00000
      6       7.2804      0.00719
      7       8.4578      0.00000
      8      10.3452      0.00000
      9      11.1248      0.00000
     10      12.3188      0.00000
     11      13.3289      0.00000
     12      13.7649      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -0.7051      2.00000
      2       0.6014      2.00000
      3       2.7675      2.00000
      4       4.0841      2.00000
      5       5.3931      2.00000
      6       6.7457      0.86176
      7       8.7230      0.00000
      8      10.3885      0.00000
      9      10.9369      0.00000
     10      11.9883      0.00000
     11      13.4446      0.00000
     12      14.0591      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.1247      2.00000
      2       0.2892      2.00000
      3       3.9569      2.00000
      4       6.1280      1.99453
      5       6.6277      1.42299
      6       8.7068      0.00000
      7       8.7581      0.00000
      8       9.2392      0.00000
      9      10.8389      0.00000
     10      12.4787      0.00000
     11      12.8236      0.00000
     12      13.2355      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0678      2.00000
      2       0.3401      2.00000
      3       4.0055      2.00000
      4       5.7616      1.99986
      5       6.3804      1.93387
      6       8.0943      0.00000
      7       9.3741      0.00000
      8       9.5697      0.00000
      9      11.2594      0.00000
     10      11.7332      0.00000
     11      13.0144      0.00000
     12      13.4358      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8977      2.00000
      2       0.4913      2.00000
      3       4.1399      2.00000
      4       4.7395      2.00000
      5       6.3034      1.96880
      6       7.2457      0.01015
      7       9.7305      0.00000
      8      10.6392      0.00000
      9      10.7578      0.00000
     10      11.9713      0.00000
     11      12.9496      0.00000
     12      13.5548      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.6164      2.00000
      2       0.7371      2.00000
      3       3.6242      2.00000
      4       4.3907      2.00000
      5       5.8098      1.99977
      6       6.9839      0.13078
      7       9.5877      0.00000
      8      10.0118      0.00000
      9      11.8129      0.00000
     10      12.0341      0.00000
     11      12.9823      0.00000
     12      13.8908      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.2289      2.00000
      2       1.0589      2.00000
      3       2.6331      2.00000
      4       4.4822      2.00000
      5       5.2313      2.00000
      6       7.1681      0.02193
      7       8.6403      0.00000
      8      10.3096      0.00000
      9      11.1857      0.00000
     10      12.4696      0.00000
     11      13.7025      0.00000
     12      14.2787      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.7505      2.00000
      2       1.3216      2.00000
      3       1.8666      2.00000
      4       3.9772      2.00000
      5       5.4007      2.00000
      6       7.3245      0.00463
      7       7.9423      0.00001
      8      10.2361      0.00000
      9      10.9717      0.00000
     10      12.6553      0.00000
     11      13.3217      0.00000
     12      14.7040      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.2611      2.00000
      2       0.9056      2.00000
      3       1.9320      2.00000
      4       3.4703      2.00000
      5       5.7953      1.99980
      6       6.9634      0.15812
      7       7.9230      0.00001
      8       9.8418      0.00000
      9      11.3227      0.00000
     10      12.3326      0.00000
     11      13.3300      0.00000
     12      14.9855      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7815      2.00000
      2      -0.2452      2.00000
      3       4.3014      2.00000
      4       5.6201      1.99997
      5       7.0468      0.07189
      6       8.1407      0.00000
      7       8.9323      0.00000
      8       9.5432      0.00000
      9      10.1997      0.00000
     10      12.6728      0.00000
     11      12.8248      0.00000
     12      14.2899      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7232      2.00000
      2      -0.1956      2.00000
      3       4.3543      2.00000
      4       5.5983      1.99997
      5       6.3589      1.94632
      6       7.5961      0.00031
      7       9.6271      0.00000
      8       9.9084      0.00000
      9      10.5433      0.00000
     10      12.1003      0.00000
     11      12.7465      0.00000
     12      13.8500      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.5485      2.00000
      2      -0.0484      2.00000
      3       4.5060      2.00000
      4       5.0936      2.00000
      5       5.6219      1.99997
      6       6.8523      0.41368
      7      10.0218      0.00000
      8      10.8562      0.00000
      9      11.0350      0.00000
     10      11.4998      0.00000
     11      12.4084      0.00000
     12      13.8804      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.2588      2.00000
      2       0.1915      2.00000
      3       3.9910      2.00000
      4       4.7125      2.00000
      5       5.1551      2.00000
      6       6.5881      1.57104
      7       9.8760      0.00000
      8      10.3306      0.00000
      9      11.2590      0.00000
     10      11.8631      0.00000
     11      13.0164      0.00000
     12      14.8129      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.8569      2.00000
      2       0.5113      2.00000
      3       2.9502      2.00000
      4       4.2403      2.00000
      5       5.2428      2.00000
      6       6.7251      0.96416
      7       8.8741      0.00000
      8      10.5000      0.00000
      9      10.8151      0.00000
     10      12.1184      0.00000
     11      14.1895      0.00000
     12      14.6793      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.3517      2.00000
      2       0.8746      2.00000
      3       2.0131      2.00000
      4       3.5470      2.00000
      5       5.7009      1.99992
      6       6.9795      0.13626
      7       7.9755      0.00001
      8       9.9099      0.00000
      9      11.2214      0.00000
     10      12.4002      0.00000
     11      13.3769      0.00000
     12      15.3096      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1       0.2037      2.00000
      2       1.1104      2.00000
      3       1.3065      2.00000
      4       3.0659      2.00000
      5       6.2175      1.98667
      6       7.1170      0.03631
      7       7.3188      0.00490
      8       9.4982      0.00000
      9      11.7435      0.00000
     10      12.5000      0.00000
     11      12.7485      0.00000
     12      15.0396      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5928      2.00000
      2       1.8931      2.00000
      3       2.5682      2.00000
      4       6.1241      1.99474
      5       6.6951      1.11350
      6       8.4538      0.00000
      7       9.8834      0.00000
      8      10.5685      0.00000
      9      10.6059      0.00000
     10      10.8712      0.00000
     11      12.4777      0.00000
     12      13.5115      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5369      2.00000
      2       1.9509      2.00000
      3       2.6074      2.00000
      4       5.3952      2.00000
      5       6.9302      0.21386
      6       9.0764      0.00000
      7       9.6511      0.00000
      8      10.0568      0.00000
      9      10.2145      0.00000
     10      11.0331      0.00000
     11      13.1638      0.00000
     12      13.9616      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3699      2.00000
      2       2.1241      2.00000
      3       2.7109      2.00000
      4       4.3213      2.00000
      5       7.1137      0.03748
      6       8.6445      0.00000
      7       9.2098      0.00000
      8      10.2633      0.00000
      9      10.2919      0.00000
     10      11.2739      0.00000
     11      13.8334      0.00000
     12      13.9458      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0942      2.00000
      2       2.4122      2.00000
      3       2.7211      2.00000
      4       3.4401      2.00000
      5       7.2332      0.01150
      6       7.5418      0.00053
      7       8.4357      0.00000
      8      10.5224      0.00000
      9      11.0574      0.00000
     10      12.0925      0.00000
     11      13.0103      0.00000
     12      14.2785      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.7163      2.00000
      2       2.0372      2.00000
      3       2.8139      2.00000
      4       3.4051      2.00000
      5       6.5041      1.78922
      6       7.0021      0.11026
      7       8.1532      0.00000
      8      10.9008      0.00000
      9      11.1896      0.00000
     10      12.0263      0.00000
     11      13.9437      0.00000
     12      14.1893      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.2552      2.00000
      2       1.1954      2.00000
      3       3.3268      2.00000
      4       3.6788      2.00000
      5       5.5605      1.99998
      6       6.4582      1.86137
      7       8.3707      0.00000
      8      10.8375      0.00000
      9      11.3880      0.00000
     10      11.8733      0.00000
     11      13.4305      0.00000
     12      14.8602      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -0.8042      2.00000
      2       0.5419      2.00000
      3       3.9131      2.00000
      4       3.9364      2.00000
      5       4.7342      2.00000
      6       6.0580      1.99728
      7       8.6404      0.00000
      8      10.4084      0.00000
      9      11.9473      0.00000
     10      11.9785      0.00000
     11      12.6658      0.00000
     12      14.6004      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2647      2.00000
      2       1.2288      2.00000
      3       2.6371      2.00000
      4       5.9271      1.99926
      5       6.4560      1.86415
      6       8.6858      0.00000
      7       9.7986      0.00000
      8      10.3216      0.00000
      9      11.0740      0.00000
     10      11.7523      0.00000
     11      12.0894      0.00000
     12      13.5082      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2085      2.00000
      2       1.2827      2.00000
      3       2.6832      2.00000
      4       5.5657      1.99998
      5       6.2532      1.98101
      6       9.0737      0.00000
      7       9.3965      0.00000
      8      10.3906      0.00000
      9      10.5885      0.00000
     10      12.0041      0.00000
     11      12.6720      0.00000
     12      13.8490      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.0405      2.00000
      2       1.4428      2.00000
      3       2.8152      2.00000
      4       4.5783      2.00000
      5       6.2872      1.97342
      6       8.0406      0.00000
      7       9.3685      0.00000
      8      10.6220      0.00000
      9      10.9238      0.00000
     10      12.1720      0.00000
     11      13.0651      0.00000
     12      13.5973      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.7629      2.00000
      2       1.7010      2.00000
      3       2.9692      2.00000
      4       3.6004      2.00000
      5       6.3415      1.95470
      6       7.0849      0.04972
      7       8.4158      0.00000
      8      11.0200      0.00000
      9      11.7637      0.00000
     10      12.1655      0.00000
     11      12.9720      0.00000
     12      14.1656      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.3816      2.00000
      2       1.9812      2.00000
      3       2.5023      2.00000
      4       3.4653      2.00000
      5       5.8313      1.99972
      6       6.7039      1.07016
      7       7.7055      0.00010
      8      10.8227      0.00000
      9      11.5483      0.00000
     10      12.7965      0.00000
     11      14.0751      0.00000
     12      14.5767      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.9139      2.00000
      2       1.4779      2.00000
      3       2.5967      2.00000
      4       3.7808      2.00000
      5       5.0388      2.00000
      6       6.3382      1.95611
      7       7.5738      0.00038
      8      10.1734      0.00000
      9      11.9342      0.00000
     10      13.0830      0.00000
     11      14.1575      0.00000
     12      14.9750      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.4478      2.00000
      2       0.8269      2.00000
      3       3.0077      2.00000
      4       4.0002      2.00000
      5       4.4842      2.00000
      6       5.9238      1.99929
      7       7.7286      0.00008
      8       9.7337      0.00000
      9      12.3559      0.00000
     10      13.1487      0.00000
     11      13.7575      0.00000
     12      15.3635      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8746      2.00000
      2       0.4886      2.00000
      3       2.9607      2.00000
      4       5.2302      2.00000
      5       6.8667      0.36839
      6       8.9909      0.00000
      7       8.9966      0.00000
      8      10.4328      0.00000
      9      11.4548      0.00000
     10      11.6614      0.00000
     11      13.0128      0.00000
     12      13.6145      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8177      2.00000
      2       0.5409      2.00000
      3       3.0111      2.00000
      4       5.2084      2.00000
      5       6.2726      1.97700
      6       8.3650      0.00000
      7       9.7451      0.00000
      8      10.7400      0.00000
      9      10.8318      0.00000
     10      12.0248      0.00000
     11      13.0614      0.00000
     12      13.5176      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6476      2.00000
      2       0.6964      2.00000
      3       3.1590      2.00000
      4       4.8152      2.00000
      5       5.6427      1.99996
      6       7.3802      0.00266
      7       9.7047      0.00000
      8      11.0602      0.00000
      9      11.1583      0.00000
     10      12.1552      0.00000
     11      12.8998      0.00000
     12      13.8460      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.3661      2.00000
      2       0.9501      2.00000
      3       3.3774      2.00000
      4       3.8714      2.00000
      5       5.5117      1.99999
      6       6.5517      1.68103
      7       8.6629      0.00000
      8      11.0202      0.00000
      9      11.5800      0.00000
     10      12.6387      0.00000
     11      13.6616      0.00000
     12      14.2046      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.9782      2.00000
      2       1.2861      2.00000
      3       2.8364      2.00000
      4       3.7344      2.00000
      5       5.0656      2.00000
      6       6.2909      1.97243
      7       7.7337      0.00008
      8      10.2644      0.00000
      9      11.8933      0.00000
     10      13.7010      0.00000
     11      14.3325      0.00000
     12      14.8467      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.4984      2.00000
      2       1.5806      2.00000
      3       2.0693      2.00000
      4       3.8714      2.00000
      5       4.6225      2.00000
      6       6.2917      1.97222
      7       7.0608      0.06284
      8       9.6079      0.00000
      9      12.3276      0.00000
     10      14.0209      0.00000
     11      14.5693      0.00000
     12      15.0932      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.0044      2.00000
      2       1.1480      2.00000
      3       2.1783      2.00000
      4       3.5376      2.00000
      5       4.7930      2.00000
      6       5.9975      1.99851
      7       6.9243      0.22529
      8       9.2091      0.00000
      9      12.7770      0.00000
     10      13.6988      0.00000
     11      14.7305      0.00000
     12      15.2967      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5211      2.00000
      2      -0.0492      2.00000
      3       3.2685      2.00000
      4       4.7390      2.00000
      5       7.2844      0.00691
      6       8.3816      0.00000
      7       9.2532      0.00000
      8      10.3768      0.00000
      9      11.4573      0.00000
     10      11.8097      0.00000
     11      13.2268      0.00000
     12      13.3102      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4629      2.00000
      2       0.0016      2.00000
      3       3.3233      2.00000
      4       4.7520      2.00000
      5       6.5845      1.58323
      6       7.8305      0.00003
      7      10.0509      0.00000
      8      10.8981      0.00000
      9      11.1436      0.00000
     10      11.5678      0.00000
     11      12.5344      0.00000
     12      13.7414      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2886      2.00000
      2       0.1526      2.00000
      3       3.4861      2.00000
      4       4.7436      2.00000
      5       5.4741      1.99999
      6       6.9274      0.21912
      7       9.9903      0.00000
      8      11.3263      0.00000
      9      11.5881      0.00000
     10      11.6417      0.00000
     11      12.2157      0.00000
     12      14.2518      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.9994      2.00000
      2       0.3992      2.00000
      3       3.7454      2.00000
      4       4.2055      2.00000
      5       4.8008      2.00000
      6       6.2051      1.98821
      7       8.8959      0.00000
      8      10.6806      0.00000
      9      11.8141      0.00000
     10      12.7519      0.00000
     11      13.3220      0.00000
     12      15.1377      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.5984      2.00000
      2       0.7299      2.00000
      3       3.1897      2.00000
      4       4.0223      2.00000
      5       4.4359      2.00000
      6       5.9559      1.99902
      7       7.8810      0.00002
      8       9.8934      0.00000
      9      12.1999      0.00000
     10      13.3776      0.00000
     11      14.8959      0.00000
     12      15.5503      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.0941      2.00000
      2       1.1109      2.00000
      3       2.2608      2.00000
      4       3.6106      2.00000
      5       4.6976      2.00000
      6       6.0311      1.99792
      7       6.9780      0.13817
      8       9.2729      0.00000
      9      12.6733      0.00000
     10      13.7831      0.00000
     11      14.7770      0.00000
     12      16.3447      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.4604      2.00000
      2       1.3719      2.00000
      3       1.5563      2.00000
      4       3.1460      2.00000
      5       5.2025      2.00000
      6       6.0801      1.99661
      7       6.3116      1.96619
      8       8.9123      0.00000
      9      13.2005      0.00000
     10      13.9430      0.00000
     11      14.1777      0.00000
     12      16.1912      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9315      2.00000
      2       1.2690      2.00000
      3       1.9826      2.00000
      4       5.1154      2.00000
      5       6.7873      0.66662
      6       8.9838      0.00000
      7      10.0228      0.00000
      8      10.2497      0.00000
      9      11.3247      0.00000
     10      11.9657      0.00000
     11      12.4414      0.00000
     12      13.4509      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8751      2.00000
      2       1.3271      2.00000
      3       2.0271      2.00000
      4       5.0931      2.00000
      5       6.2176      1.98665
      6       9.2574      0.00000
      7       9.5976      0.00000
      8       9.8213      0.00000
      9      11.7683      0.00000
     10      12.3035      0.00000
     11      12.8861      0.00000
     12      12.9853      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.7064      2.00000
      2       1.5013      2.00000
      3       2.1569      2.00000
      4       4.7175      2.00000
      5       5.6186      1.99997
      6       8.0960      0.00000
      7       8.7647      0.00000
      8      11.0589      0.00000
      9      11.9387      0.00000
     10      12.0996      0.00000
     11      12.9352      0.00000
     12      14.0162      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.4275      2.00000
      2       1.7910      2.00000
      3       2.3521      2.00000
      4       3.7990      2.00000
      5       5.6206      1.99997
      6       6.9623      0.15976
      7       7.8624      0.00002
      8      10.9872      0.00000
      9      12.4090      0.00000
     10      12.5564      0.00000
     11      13.3730      0.00000
     12      14.8769      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.0437      2.00000
      2       2.1949      2.00000
      3       2.4348      2.00000
      4       3.0251      2.00000
      5       5.7055      1.99992
      6       5.9110      1.99937
      7       7.1403      0.02887
      8      10.1747      0.00000
      9      12.7976      0.00000
     10      13.3278      0.00000
     11      14.5913      0.00000
     12      15.2906      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.5709      2.00000
      2       1.7917      2.00000
      3       2.7107      2.00000
      4       3.1006      2.00000
      5       4.9594      2.00000
      6       5.5943      1.99997
      7       6.8072      0.58098
      8       9.5147      0.00000
      9      13.2805      0.00000
     10      13.6837      0.00000
     11      15.1865      0.00000
     12      15.9688      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.0921      2.00000
      2       1.1291      2.00000
      3       3.3199      2.00000
      4       3.3233      2.00000
      5       4.1277      2.00000
      6       5.3442      2.00000
      7       6.8128      0.55832
      8       9.1184      0.00000
      9      13.8543      0.00000
     10      13.9098      0.00000
     11      14.5208      0.00000
     12      16.0508      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5320      2.00000
      2       0.7338      2.00000
      3       2.0695      2.00000
      4       4.4219      2.00000
      5       7.1970      0.01648
      6       9.3206      0.00000
      7       9.3262      0.00000
      8      10.5367      0.00000
      9      11.1731      0.00000
     10      12.5539      0.00000
     11      12.7877      0.00000
     12      12.8523      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4750      2.00000
      2       0.7886      2.00000
      3       2.1202      2.00000
      4       4.4396      2.00000
      5       6.5561      1.66909
      6       8.6700      0.00000
      7       9.8872      0.00000
      8      10.0908      0.00000
      9      11.8427      0.00000
     10      12.2504      0.00000
     11      12.9568      0.00000
     12      13.2164      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.3047      2.00000
      2       0.9519      2.00000
      3       2.2707      2.00000
      4       4.4442      2.00000
      5       5.5382      1.99998
      6       7.6022      0.00029
      7       8.8585      0.00000
      8      11.1560      0.00000
      9      11.6471      0.00000
     10      12.6045      0.00000
     11      13.6431      0.00000
     12      14.0564      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.0228      2.00000
      2       1.2201      2.00000
      3       2.5136      2.00000
      4       4.0414      2.00000
      5       4.9699      2.00000
      6       6.5589      1.66125
      7       7.8408      0.00003
      8      10.3835      0.00000
      9      12.9427      0.00000
     10      13.1431      0.00000
     11      14.5093      0.00000
     12      14.6603      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.6339      2.00000
      2       1.5815      2.00000
      3       2.7979      2.00000
      4       3.1988      2.00000
      5       4.8929      2.00000
      6       5.6978      1.99993
      7       6.9388      0.19790
      8       9.6060      0.00000
      9      13.3868      0.00000
     10      14.5090      0.00000
     11      15.0467      0.00000
     12      15.3731      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.1516      2.00000
      2       1.9386      2.00000
      3       2.3228      2.00000
      4       3.2580      2.00000
      5       4.4616      2.00000
      6       5.3395      2.00000
      7       6.2662      1.97839
      8       9.0007      0.00000
      9      13.8463      0.00000
     10      15.0461      0.00000
     11      15.6248      0.00000
     12      16.1028      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1       0.3505      2.00000
      2       1.4775      2.00000
      3       2.5141      2.00000
      4       3.5076      2.00000
      5       3.9645      2.00000
      6       5.1332      2.00000
      7       6.0056      1.99839
      8       8.6548      0.00000
      9      14.3243      0.00000
     10      15.0663      0.00000
     11      15.6487      0.00000
     12      16.1621      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1608      2.00000
      2       0.2052      2.00000
      3       2.3170      2.00000
      4       3.9575      2.00000
      5       7.6132      0.00026
      6       8.7101      0.00000
      7       9.6241      0.00000
      8      10.8503      0.00000
      9      10.8957      0.00000
     10      12.2895      0.00000
     11      12.8166      0.00000
     12      12.9918      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1027      2.00000
      2       0.2579      2.00000
      3       2.3728      2.00000
      4       3.9809      2.00000
      5       6.9156      0.24337
      6       8.1264      0.00000
      7      10.1839      0.00000
      8      10.4401      0.00000
      9      11.4007      0.00000
     10      11.9151      0.00000
     11      13.0148      0.00000
     12      13.6307      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.9289      2.00000
      2       0.4149      2.00000
      3       2.5395      2.00000
      4       4.0394      2.00000
      5       5.7799      1.99983
      6       7.1302      0.03187
      7       9.0863      0.00000
      8      10.8308      0.00000
      9      11.8834      0.00000
     10      12.7246      0.00000
     11      13.2616      0.00000
     12      14.9026      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.6406      2.00000
      2       0.6722      2.00000
      3       2.8139      2.00000
      4       4.0617      2.00000
      5       4.6991      2.00000
      6       6.1794      1.99087
      7       7.9843      0.00001
      8      10.0030      0.00000
      9      13.3119      0.00000
     10      13.4838      0.00000
     11      14.0842      0.00000
     12      15.6406      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.2406      2.00000
      2       1.0200      2.00000
      3       3.1809      2.00000
      4       3.5085      2.00000
      5       4.1687      2.00000
      6       5.4683      1.99999
      7       6.9646      0.15647
      8       9.2702      0.00000
      9      13.7409      0.00000
     10      14.7027      0.00000
     11      15.2603      0.00000
     12      16.4921      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.2623      2.00000
      2       1.4296      2.00000
      3       2.5995      2.00000
      4       3.5240      2.00000
      5       3.9144      2.00000
      6       5.1926      2.00000
      7       6.0592      1.99725
      8       8.7123      0.00000
      9      14.2137      0.00000
     10      15.2336      0.00000
     11      16.2045      0.00000
     12      16.7081      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.8157      2.00000
      2       1.7361      2.00000
      3       1.8982      2.00000
      4       3.2355      2.00000
      5       4.2705      2.00000
      6       5.1235      2.00000
      7       5.3834      2.00000
      8       8.4018      0.00000
      9      14.7422      0.00000
     10      15.4358      0.00000
     11      15.6732      0.00000
     12      17.2032      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1153      2.00000
      2       0.8495      2.00000
      3       1.4561      2.00000
      4       3.7525      2.00000
      5       7.6058      0.00028
      6       9.6341      0.00000
      7       9.7130      0.00000
      8       9.8133      0.00000
      9      11.3377      0.00000
     10      12.0564      0.00000
     11      12.1915      0.00000
     12      14.2244      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0581      2.00000
      2       0.9078      2.00000
      3       1.5066      2.00000
      4       3.7784      2.00000
      5       6.9427      0.19116
      6       8.8775      0.00000
      7       9.2662      0.00000
      8      10.4578      0.00000
      9      11.5547      0.00000
     10      12.1654      0.00000
     11      12.8950      0.00000
     12      14.1054      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.8871      2.00000
      2       1.0826      2.00000
      3       1.6562      2.00000
      4       3.8458      2.00000
      5       5.8480      1.99967
      6       7.7078      0.00010
      7       8.2782      0.00000
      8      10.6207      0.00000
      9      11.9562      0.00000
     10      13.4857      0.00000
     11      14.0742      0.00000
     12      14.3458      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.6038      2.00000
      2       1.3732      2.00000
      3       1.8983      2.00000
      4       3.8826      2.00000
      5       4.8396      2.00000
      6       6.5667      1.63880
      7       7.2757      0.00753
      8       9.8072      0.00000
      9      13.5099      0.00000
     10      14.3322      0.00000
     11      14.9883      0.00000
     12      15.1883      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.2123      2.00000
      2       1.7785      2.00000
      3       2.2140      2.00000
      4       3.4555      2.00000
      5       4.4081      2.00000
      6       5.5100      1.99999
      7       6.3667      1.94210
      8       9.0881      0.00000
      9      14.7689      0.00000
     10      15.0358      0.00000
     11      15.6049      0.00000
     12      16.1102      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.2755      2.00000
      2       2.2958      2.00000
      3       2.4501      2.00000
      4       2.7609      2.00000
      5       4.4538      2.00000
      6       4.5545      2.00000
      7       5.6264      1.99996
      8       8.5450      0.00000
      9      15.2482      0.00000
     10      15.7061      0.00000
     11      16.5936      0.00000
     12      17.0378      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.7926      2.00000
      2       1.8711      2.00000
      3       2.9095      2.00000
      4       2.9212      2.00000
      5       3.7207      2.00000
      6       4.4754      2.00000
      7       5.1965      2.00000
      8       8.2458      0.00000
      9      15.8017      0.00000
     10      16.0281      0.00000
     11      16.4131      0.00000
     12      17.2197      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7109      2.00000
      2       0.4782      2.00000
      3       1.4721      2.00000
      4       3.3261      2.00000
      5       8.0222      0.00000
      6       9.1037      0.00000
      7      10.0710      0.00000
      8      10.0963      0.00000
      9      11.1061      0.00000
     10      11.4884      0.00000
     11      12.1026      0.00000
     12      14.3616      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6530      2.00000
      2       0.5338      2.00000
      3       1.5285      2.00000
      4       3.3520      2.00000
      5       7.3312      0.00433
      6       8.4565      0.00000
      7       9.4027      0.00000
      8      10.8011      0.00000
      9      11.0652      0.00000
     10      11.9487      0.00000
     11      12.8843      0.00000
     12      14.5356      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4798      2.00000
      2       0.6997      2.00000
      3       1.6972      2.00000
      4       3.4252      2.00000
      5       6.1950      1.98934
      6       7.3694      0.00296
      7       8.2842      0.00000
      8      10.2351      0.00000
      9      12.3151      0.00000
     10      13.2758      0.00000
     11      14.2575      0.00000
     12      14.7240      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.1924      2.00000
      2       0.9732      2.00000
      3       1.9762      2.00000
      4       3.5275      2.00000
      5       5.0772      2.00000
      6       6.2947      1.97137
      7       7.1774      0.02000
      8       9.4655      0.00000
      9      13.9089      0.00000
     10      14.6596      0.00000
     11      15.0423      0.00000
     12      15.7482      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.2062      2.00000
      2       1.3476      2.00000
      3       2.3603      2.00000
      4       3.5774      2.00000
      5       4.0970      2.00000
      6       5.3269      2.00000
      7       6.1546      1.99287
      8       8.7965      0.00000
      9      15.2969      0.00000
     10      15.5563      0.00000
     11      16.0212      0.00000
     12      16.8373      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.7075      2.00000
      2       1.8026      2.00000
      3       2.8270      2.00000
      4       3.0156      2.00000
      5       3.7428      2.00000
      6       4.5770      2.00000
      7       5.2490      2.00000
      8       8.2977      0.00000
      9      15.7705      0.00000
     10      16.6228      0.00000
     11      17.0660      0.00000
     12      17.5368      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       1.2595      2.00000
      2       2.1992      2.00000
      3       2.3119      2.00000
      4       3.2421      2.00000
      5       3.5270      2.00000
      6       4.2621      2.00000
      7       4.5606      2.00000
      8       8.0272      0.00000
      9      16.3061      0.00000
     10      16.8946      0.00000
     11      17.1588      0.00000
     12      17.6087      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2317      2.00000
      2       0.6389      2.00000
      3       0.8388      2.00000
      4       2.9409      2.00000
      5       8.4462      0.00000
      6       9.4398      0.00000
      7       9.5033      0.00000
      8      10.5519      0.00000
      9      10.9219      0.00000
     10      11.1914      0.00000
     11      11.4921      0.00000
     12      14.4093      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1740      2.00000
      2       0.6973      2.00000
      3       0.8958      2.00000
      4       2.9659      2.00000
      5       7.7672      0.00006
      6       8.6839      0.00000
      7       8.8163      0.00000
      8      10.5526      0.00000
      9      11.3521      0.00000
     10      12.0362      0.00000
     11      12.2964      0.00000
     12      14.8500      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.0013      2.00000
      2       0.8724      2.00000
      3       1.0661      2.00000
      4       3.0379      2.00000
      5       6.6361      1.38753
      6       7.5112      0.00072
      7       7.6892      0.00012
      8       9.8738      0.00000
      9      12.7719      0.00000
     10      13.4695      0.00000
     11      13.6989      0.00000
     12      15.8801      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.2853      2.00000
      2       1.1634      2.00000
      3       1.3482      2.00000
      4       3.1467      2.00000
      5       5.5134      1.99999
      6       6.3673      1.94175
      7       6.5737      1.61770
      8       9.1583      0.00000
      9      14.3678      0.00000
     10      15.0198      0.00000
     11      15.2443      0.00000
     12      16.2005      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.6828      2.00000
      2       1.5694      2.00000
      3       1.7374      2.00000
      4       3.2709      2.00000
      5       4.4765      2.00000
      6       5.3083      2.00000
      7       5.5420      1.99998
      8       8.5362      0.00000
      9      16.0312      0.00000
     10      16.5009      0.00000
     11      16.6048      0.00000
     12      16.7960      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.1828      2.00000
      2       2.0874      2.00000
      3       2.2198      2.00000
      4       3.3223      2.00000
      5       3.6132      2.00000
      6       4.3510      2.00000
      7       4.6241      2.00000
      8       8.0757      0.00000
      9      17.0153      0.00000
     10      17.4941      0.00000
     11      17.6981      0.00000
     12      17.9963      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.7326      2.00000
      2       2.6984      2.00000
      3       2.7012      2.00000
      4       2.7488      2.00000
      5       3.5166      2.00000
      6       3.5283      2.00000
      7       3.8924      2.00000
      8       7.8283      0.00003
      9      17.5732      0.00000
     10      18.1226      0.00000
     11      18.1412      0.00000
     12      18.3149      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.189   5.267  -0.000  -0.000   0.000
  5.267  22.337  -0.000  -0.000   0.000
 -0.000  -0.000  -0.265   0.000   0.000
 -0.000  -0.000   0.000  -0.265  -0.000
  0.000   0.000   0.000  -0.000  -0.265
 total augmentation occupancy for first ion, spin component:           1
  1.153  -0.024   0.000   0.000   0.000
 -0.024   0.001   0.000   0.000   0.000
  0.000   0.000   0.101   0.000   0.000
  0.000   0.000   0.000   0.101  -0.000
  0.000   0.000   0.000   0.000   0.106


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1038: real time    0.1038
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.1954: real time    0.1954
    STRESS:  cpu time    2.3600: real time    2.3627
    FORCOR:  cpu time    0.0434: real time    0.0434
    FORHAR:  cpu time    0.0119: real time    0.0119
    MIXING:  cpu time    0.0045: real time    0.0045
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11919    -0.11919    -0.11919
  Ewald     -72.69096   -74.04378   -74.04378    -0.00000     0.00000    -0.00000
  Hartree     1.46891     0.90901     0.90901    -0.00000    -0.00000    -0.00000
  E(xc)     -27.87382   -27.86641   -27.86641     0.00000    -0.00000    -0.00000
  Local      -4.28253    -2.91507    -2.91507     0.00000    -0.00000    -0.00000
  n-local    59.91602    58.96413    60.85318     0.16043     0.29518     0.50814
  augment    -2.98826    -2.96816    -2.96816     0.00000     0.00000     0.00000
  Kinetic    49.31932    48.55468    47.26554    -1.54914    -3.20363    -6.31172
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       2.74948     0.81517     0.81517    -0.00000     0.00000     0.00000
  in kB      71.03808    21.06160    21.06160    -0.00000     0.00000     0.00000
  external pressure =       37.72 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       62.01
      direct lattice vectors                 reciprocal lattice vectors
     3.824213790  0.000000000  0.000000000     0.261491657  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     3.824213790  4.026832140  4.026832140     0.261491657  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.648E-16 -.291E-16 -.420E-16   -.168E-15 -.537E-16 -.685E-16   -.170E-27 -.169E-25 -.193E-26   0.108E-16 -.256E-17 -.428E-17
   -.455E-14 -.283E-13 0.296E-13   -.675E-15 0.489E-16 -.312E-15   -.224E-24 0.753E-24 0.173E-24   -.120E-15 0.173E-16 -.250E-16
   -.350E-14 0.250E-16 -.944E-13   -.459E-15 0.139E-15 0.296E-15   -.243E-24 -.212E-25 0.895E-24   -.950E-16 -.215E-16 0.487E-16
   0.967E-15 -.407E-14 -.419E-14   0.124E-14 0.312E-16 -.551E-16   0.752E-25 -.132E-23 -.193E-23   0.144E-15 0.171E-16 0.257E-16
 -----------------------------------------------------------------------------------------------
   -.715E-14 -.324E-13 -.690E-13   -.649E-16 0.165E-15 -.140E-15   -.392E-24 -.610E-24 -.864E-24   -.595E-16 0.103E-16 0.452E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000      0.000000      0.000000
      1.91211      2.01342      0.00000         0.000000     -0.000000     -0.000000
      1.91211      0.00000      2.01342        -0.000000     -0.000000     -0.000000
      0.00000      2.01342      2.01342        -0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.48267236 eV

  energy  without entropy=      -13.44140888  energy(sigma->0) =      -13.46204062
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.1408804E-01 0.141E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.7245435E+01-0.725E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0505: real time    0.0505


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   1/ 13
  Displacement:        2/  2
  Total:               2/ 26
  LATTYP: Found a simple orthorhombic cell.
 ALAT       =     4.0254882003
 B/A-ratio  =     1.0003338576
 C/A-ratio  =     1.0503505505
  
  Lattice vectors:
  
 A1 = (  -4.0254882003,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (   0.0000000000,  -4.2281737473,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry D_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The dynamic configuration has the point symmetry D_2h.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   179.999999     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   179.999999     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.000000  0.000000  0.076923      2.000000
  0.076923  0.000000  0.076923      4.000000
  0.153846  0.000000  0.076923      4.000000
  0.230769  0.000000  0.076923      4.000000
  0.307692  0.000000  0.076923      4.000000
  0.384615  0.000000  0.076923      4.000000
  0.461538  0.000000  0.076923      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.076923  0.384615  0.076923      8.000000
  0.153846  0.384615  0.076923      8.000000
  0.230769  0.384615  0.076923      8.000000
  0.307692  0.384615  0.076923      8.000000
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  0.114654  0.109158  0.114616      8.000000
 
    WAVPRE:  cpu time    0.4216: real time    0.4949
    FEWALD:  cpu time    0.0023: real time    0.0023
    GENKIN:  cpu time    0.0958: real time    0.0958
    ORTHCH:  cpu time    1.8911: real time    1.8912
     LOOP+:  cpu time   77.9271: real time   78.0417


--------------------------------------- Iteration      4(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0469: real time    0.0476
    SETDIJ:  cpu time    0.0032: real time    0.0032
     EDDAV:  cpu time   20.6931: real time   20.7006
       DOS:  cpu time    0.0118: real time    0.0118
    CHARGE:  cpu time    0.1755: real time    0.1755
    MIXING:  cpu time    0.0027: real time    0.0027
    --------------------------------------------
      LOOP:  cpu time   20.9333: real time   20.9415

 eigenvalue-minimisations  : 10068
 total energy-change (2. order) :-0.4678886E-01  (-0.1956734E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1159781 magnetization 

 Broyden mixing:
  rms(total) = 0.10738E+00    rms(broyden)= 0.10738E+00
  rms(prec ) = 0.23770E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.17246667
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.01607180
  PAW double counting   =       465.31529456     -363.99931367
  entropy T*S    EENTRO =        -0.04268947
  eigenvalues    EBANDS =        19.11054387
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.52946678 eV

  energy without entropy =      -13.48677731  energy(sigma->0) =      -13.50812205


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0497: real time    0.0501
    SETDIJ:  cpu time    0.0030: real time    0.0030
     EDDAV:  cpu time   20.3665: real time   20.3803
       DOS:  cpu time    0.0115: real time    0.0115
    CHARGE:  cpu time    0.1745: real time    0.1745
    MIXING:  cpu time    0.0030: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time   20.6083: real time   20.6224

 eigenvalue-minimisations  :  9764
 total energy-change (2. order) : 0.2334607E-01  (-0.6103874E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1125886 magnetization 

 Broyden mixing:
  rms(total) = 0.45063E-01    rms(broyden)= 0.45063E-01
  rms(prec ) = 0.11920E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3274
  1.3274

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.33842715
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.04390739
  PAW double counting   =       414.13205246     -312.79697116
  entropy T*S    EENTRO =        -0.04285887
  eigenvalues    EBANDS =        19.30875499
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.50612070 eV

  energy without entropy =      -13.46326184  energy(sigma->0) =      -13.48469127


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0439: real time    0.0442
    SETDIJ:  cpu time    0.0028: real time    0.0028
     EDDAV:  cpu time   23.7152: real time   23.7611
       DOS:  cpu time    0.0145: real time    0.0145
    CHARGE:  cpu time    0.1795: real time    0.1795
    MIXING:  cpu time    0.0051: real time    0.0051
    --------------------------------------------
      LOOP:  cpu time   23.9611: real time   24.0073

 eigenvalue-minimisations  :  9952
 total energy-change (2. order) : 0.9130467E-02  (-0.1730949E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1107759 magnetization 

 Broyden mixing:
  rms(total) = 0.16631E-01    rms(broyden)= 0.16631E-01
  rms(prec ) = 0.34470E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7250
  1.2955  2.1545

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.49515070
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.07207883
  PAW double counting   =       385.79490043     -284.43727667
  entropy T*S    EENTRO =        -0.04302060
  eigenvalues    EBANDS =        19.48039973
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49699024 eV

  energy without entropy =      -13.45396964  energy(sigma->0) =      -13.47547994


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0520: real time    0.0524
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   24.7121: real time   24.7261
       DOS:  cpu time    0.0167: real time    0.0167
    CHARGE:  cpu time    0.1802: real time    0.1802
    MIXING:  cpu time    0.0047: real time    0.0047
    --------------------------------------------
      LOOP:  cpu time   24.9693: real time   24.9837

 eigenvalue-minimisations  :  9732
 total energy-change (2. order) : 0.7268338E-03  (-0.1475925E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1100883 magnetization 

 Broyden mixing:
  rms(total) = 0.10108E-01    rms(broyden)= 0.10108E-01
  rms(prec ) = 0.12173E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2519
  2.0922  1.3578  0.3056

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.52597702
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.08594134
  PAW double counting   =       385.43121110     -284.06251781
  entropy T*S    EENTRO =        -0.04301497
  eigenvalues    EBANDS =        19.51474023
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49626340 eV

  energy without entropy =      -13.45324844  energy(sigma->0) =      -13.47475592


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0522: real time    0.0525
    SETDIJ:  cpu time    0.0041: real time    0.0041
     EDDAV:  cpu time   25.7332: real time   25.7471
       DOS:  cpu time    0.0145: real time    0.0145
    CHARGE:  cpu time    0.1777: real time    0.1777
    MIXING:  cpu time    0.0045: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time   25.9862: real time   26.0005

 eigenvalue-minimisations  : 10300
 total energy-change (2. order) : 0.3848231E-04  (-0.5303441E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1099133 magnetization 

 Broyden mixing:
  rms(total) = 0.72714E-02    rms(broyden)= 0.72714E-02
  rms(prec ) = 0.77437E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7409
  2.3132  2.3132  1.1686  1.1686

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.52791908
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.08963941
  PAW double counting   =       388.80467349     -287.43334174
  entropy T*S    EENTRO =        -0.04301237
  eigenvalues    EBANDS =        19.51777778
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49622492 eV

  energy without entropy =      -13.45321255  energy(sigma->0) =      -13.47471874


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0529: real time    0.0531
    SETDIJ:  cpu time    0.0042: real time    0.0042
     EDDAV:  cpu time   24.8845: real time   24.8924
       DOS:  cpu time    0.0116: real time    0.0116
    --------------------------------------------
      LOOP:  cpu time   24.9532: real time   24.9613

 eigenvalue-minimisations  :  9704
 total energy-change (2. order) : 0.8680975E-05  (-0.5678560E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1099133 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.52603232
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.09243452
  PAW double counting   =       395.03184098     -293.65889214
  entropy T*S    EENTRO =        -0.04301226
  eigenvalues    EBANDS =        19.51707761
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49621624 eV

  energy without entropy =      -13.45320398  energy(sigma->0) =      -13.47471011


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.7246       2 -74.7209       3 -74.7729       4 -74.7187
 
 
 
 E-fermi :   5.8290     XC(G=0):  -9.4009     alpha+bet :-12.8869


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.7707      2.00000
      2       3.5622      2.00000
      3       4.2175      2.00000
      4       4.2224      2.00000
      5       4.6464      1.99999
      6       5.4200      1.96709
      7       7.2918      0.00000
      8      11.6856      0.00000
      9      11.6893      0.00000
     10      11.7339      0.00000
     11      12.1633      0.00000
     12      12.1674      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.7210      2.00000
      2       3.4941      2.00000
      3       3.6117      2.00000
      4       4.2666      2.00000
      5       4.7895      1.99994
      6       5.9248      0.55462
      7       7.5441      0.00000
      8      10.8554      0.00000
      9      11.3406      0.00000
     10      11.3631      0.00000
     11      12.0629      0.00000
     12      12.2123      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5726      2.00000
      2       2.4622      2.00000
      3       3.7597      2.00000
      4       4.4139      2.00000
      5       4.9610      1.99966
      6       6.4286      0.00497
      7       8.4107      0.00000
      8       9.7350      0.00000
      9      10.3214      0.00000
     10      10.6294      0.00000
     11      12.0921      0.00000
     12      12.3580      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3284      2.00000
      2       1.4663      2.00000
      3       4.0051      2.00000
      4       4.6580      1.99998
      5       5.2184      1.99556
      6       6.6946      0.00035
      7       8.6923      0.00000
      8       9.2981      0.00000
      9       9.6375      0.00000
     10       9.8515      0.00000
     11      11.7396      0.00000
     12      12.5955      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.9960      2.00000
      2       0.5574      2.00000
      3       4.3443      2.00000
      4       4.9958      1.99952
      5       5.5676      1.86362
      6       6.8862      0.00005
      7       7.7508      0.00000
      8       8.3657      0.00000
      9       8.9259      0.00000
     10      10.9135      0.00000
     11      11.5636      0.00000
     12      12.6263      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.5985      2.00000
      2      -0.2284      2.00000
      3       4.7647      1.99995
      4       5.4156      1.96849
      5       5.9958      0.31760
      6       6.9276      0.00003
      7       7.0316      0.00001
      8       7.5472      0.00000
      9       8.1646      0.00000
     10      10.7242      0.00000
     11      13.0245      0.00000
     12      13.2710      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.2333      2.00000
      2      -0.7887      2.00000
      3       5.1948      1.99649
      4       5.8494      0.89844
      5       6.2958      0.01862
      6       6.4324      0.00478
      7       6.9136      0.00004
      8       7.0789      0.00001
      9       7.5971      0.00000
     10      10.5243      0.00000
     11      13.4382      0.00000
     12      13.5632      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.7265      2.00000
      2       2.9022      2.00000
      3       4.2616      2.00000
      4       4.2666      2.00000
      5       5.3207      1.98768
      6       5.4679      1.94742
      7       7.3837      0.00000
      8      10.8209      0.00000
      9      10.8253      0.00000
     10      11.4222      0.00000
     11      12.5256      0.00000
     12      12.7291      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.6768      2.00000
      2       2.9234      2.00000
      3       3.6055      2.00000
      4       4.3108      2.00000
      5       5.3969      1.97380
      6       6.0205      0.25691
      7       7.6119      0.00000
      8      10.1165      0.00000
      9      10.8341      0.00000
     10      11.6155      0.00000
     11      11.6584      0.00000
     12      12.2544      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5282      2.00000
      2       2.4620      2.00000
      3       3.1835      2.00000
      4       4.4580      2.00000
      5       5.5537      1.88022
      6       6.5621      0.00131
      7       8.4191      0.00000
      8       9.1406      0.00000
      9      10.3367      0.00000
     10      11.1248      0.00000
     11      11.1772      0.00000
     12      12.0989      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.2838      2.00000
      2       1.4982      2.00000
      3       3.3921      2.00000
      4       4.7022      1.99997
      5       5.8102      1.09417
      6       6.8078      0.00011
      7       8.1365      0.00000
      8       9.3379      0.00000
      9       9.7741      0.00000
     10      10.3106      0.00000
     11      11.3200      0.00000
     12      11.7698      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.9510      2.00000
      2       0.5948      2.00000
      3       3.7173      2.00000
      4       5.0399      1.99925
      5       6.1596      0.07074
      6       6.8029      0.00012
      7       7.4611      0.00000
      8       8.4083      0.00000
      9       9.4372      0.00000
     10      11.0251      0.00000
     11      11.5450      0.00000
     12      11.6358      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.5527      2.00000
      2      -0.1899      2.00000
      3       4.1200      2.00000
      4       5.4596      1.95149
      5       6.2112      0.04285
      6       6.6622      0.00048
      7       7.3817      0.00000
      8       7.5906      0.00000
      9       8.6231      0.00000
     10      10.8326      0.00000
     11      12.0228      0.00000
     12      12.8610      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.1858      2.00000
      2      -0.7513      2.00000
      3       4.5162      2.00000
      4       5.6788      1.63579
      5       5.8934      0.68907
      6       6.9572      0.00003
      7       7.1618      0.00000
      8       7.4616      0.00000
      9       7.9016      0.00000
     10      10.6287      0.00000
     11      12.3855      0.00000
     12      13.4324      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.5949      2.00000
      2       1.9511      2.00000
      3       4.3938      2.00000
      4       4.3988      2.00000
      5       5.6111      1.79678
      6       6.2013      0.04722
      7       7.7695      0.00000
      8       9.8069      0.00000
      9       9.8115      0.00000
     10      10.7277      0.00000
     11      12.1403      0.00000
     12      12.8739      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.5450      2.00000
      2       1.9887      2.00000
      3       3.7342      2.00000
      4       4.4430      2.00000
      5       5.9387      0.50071
      6       6.5695      0.00122
      7       7.8961      0.00000
      8       9.1868      0.00000
      9       9.8502      0.00000
     10      11.1240      0.00000
     11      11.7023      0.00000
     12      12.3460      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3961      2.00000
      2       2.0515      2.00000
      3       2.7866      2.00000
      4       4.5901      1.99999
      5       6.1374      0.08759
      6       7.1986      0.00000
      7       8.0925      0.00000
      8       8.7307      0.00000
      9       9.9511      0.00000
     10      10.6063      0.00000
     11      11.3113      0.00000
     12      12.1207      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.1509      2.00000
      2       1.5621      2.00000
      3       2.5145      2.00000
      4       4.8341      1.99990
      5       6.2983      0.01816
      6       7.1300      0.00000
      7       7.7372      0.00000
      8       9.4446      0.00000
      9       9.8791      0.00000
     10      10.3088      0.00000
     11      10.8720      0.00000
     12      11.8442      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.8168      2.00000
      2       0.7013      2.00000
      3       2.7864      2.00000
      4       5.1717      1.99721
      5       6.0166      0.26589
      6       6.9535      0.00003
      7       7.9059      0.00000
      8       8.5344      0.00000
      9      10.1077      0.00000
     10      10.6070      0.00000
     11      11.3177      0.00000
     12      11.5697      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.4159      2.00000
      2      -0.0768      2.00000
      3       3.1632      2.00000
      4       5.3500      1.98353
      5       5.5912      1.83027
      6       7.2725      0.00000
      7       7.7198      0.00000
      8       8.1105      0.00000
      9       9.3679      0.00000
     10      10.9939      0.00000
     11      11.2116      0.00000
     12      12.3982      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.0437      2.00000
      2      -0.6406      2.00000
      3       3.5239      2.00000
      4       4.8184      1.99992
      5       6.0249      0.24735
      6       7.0874      0.00001
      7       7.6244      0.00000
      8       8.3195      0.00000
      9       8.7423      0.00000
     10      10.9880      0.00000
     11      11.3588      0.00000
     12      12.7296      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.3791      2.00000
      2       1.0442      2.00000
      3       4.6124      1.99999
      4       4.6173      1.99999
      5       5.8490      0.90036
      6       6.7203      0.00027
      7       8.6685      0.00000
      8       8.8695      0.00000
      9       8.8742      0.00000
     10       9.9274      0.00000
     11      11.7099      0.00000
     12      13.0580      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.3290      2.00000
      2       1.0866      2.00000
      3       3.9500      2.00000
      4       4.6615      1.99998
      5       6.1982      0.04866
      6       7.1314      0.00000
      7       8.2058      0.00000
      8       8.8051      0.00000
      9       8.9168      0.00000
     10      10.3800      0.00000
     11      11.9041      0.00000
     12      11.9239      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1794      2.00000
      2       1.2045      2.00000
      3       2.9426      2.00000
      4       4.8085      1.99993
      5       6.3448      0.01144
      6       7.3543      0.00000
      7       8.1454      0.00000
      8       9.0555      0.00000
      9       9.0796      0.00000
     10      10.7695      0.00000
     11      10.7754      0.00000
     12      12.3374      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9328      2.00000
      2       1.3099      2.00000
      3       2.0675      2.00000
      4       5.0524      1.99915
      5       5.9893      0.33528
      6       7.0250      0.00001
      7       8.7725      0.00000
      8       9.2459      0.00000
      9       9.7762      0.00000
     10       9.9978      0.00000
     11      10.8286      0.00000
     12      11.9128      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.5962      2.00000
      2       0.8415      2.00000
      3       1.9346      2.00000
      4       5.2362      1.99469
      5       5.3897      1.97558
      6       7.2279      0.00000
      7       8.7323      0.00000
      8       9.0620      0.00000
      9       9.6799      0.00000
     10      10.4431      0.00000
     11      11.1638      0.00000
     12      12.0573      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.1904      2.00000
      2       0.1020      2.00000
      3       2.2507      2.00000
      4       4.5196      2.00000
      5       5.8090      1.09977
      6       7.5603      0.00000
      7       7.9310      0.00000
      8       9.1929      0.00000
      9      10.0324      0.00000
     10      10.0566      0.00000
     11      11.5630      0.00000
     12      12.2098      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.8082      2.00000
      2      -0.4632      2.00000
      3       2.5725      2.00000
      4       4.0065      2.00000
      5       6.2427      0.03144
      6       7.3006      0.00000
      7       7.8681      0.00000
      8       9.0445      0.00000
      9       9.9311      0.00000
     10      10.4230      0.00000
     11      11.6363      0.00000
     12      11.7943      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -3.0881      2.00000
      2       0.2256      2.00000
      3       4.9129      1.99979
      4       4.9178      1.99978
      5       6.1803      0.05794
      6       6.9694      0.00002
      7       8.0264      0.00000
      8       8.0311      0.00000
      9       9.1341      0.00000
     10       9.8912      0.00000
     11      11.3775      0.00000
     12      13.3216      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -3.0376      2.00000
      2       0.2695      2.00000
      3       4.2454      2.00000
      4       4.9619      1.99966
      5       6.4648      0.00346
      6       7.2995      0.00000
      7       7.6037      0.00000
      8       8.0748      0.00000
      9       9.5743      0.00000
     10      10.0237      0.00000
     11      11.5461      0.00000
     12      12.1829      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8866      2.00000
      2       0.3980      2.00000
      3       3.2181      2.00000
      4       5.1088      1.99851
      5       6.1451      0.08136
      6       7.0616      0.00001
      7       8.2188      0.00000
      8       8.5930      0.00000
      9       9.9134      0.00000
     10      10.4162      0.00000
     11      11.0454      0.00000
     12      12.0932      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6375      2.00000
      2       0.5943      2.00000
      3       2.2399      2.00000
      4       5.3156      1.98829
      5       5.3524      1.98312
      6       7.2130      0.00000
      7       8.4531      0.00000
      8       9.7332      0.00000
      9      10.0109      0.00000
     10      10.1893      0.00000
     11      10.7932      0.00000
     12      12.0411      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.2965      2.00000
      2       0.7404      2.00000
      3       1.4745      2.00000
      4       4.4896      2.00000
      5       5.6895      1.60303
      6       7.5047      0.00000
      7       8.7242      0.00000
      8       9.1325      0.00000
      9      10.0913      0.00000
     10      10.5227      0.00000
     11      11.2131      0.00000
     12      12.2460      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.8823      2.00000
      2       0.3139      2.00000
      3       1.4480      2.00000
      4       3.7758      2.00000
      5       6.1087      0.11503
      6       7.8620      0.00000
      7       8.2115      0.00000
      8       9.2229      0.00000
      9       9.7865      0.00000
     10      10.9114      0.00000
     11      11.2176      0.00000
     12      11.5313      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.4828      2.00000
      2      -0.2341      2.00000
      3       1.7020      2.00000
      4       3.2905      2.00000
      5       6.5437      0.00157
      6       7.5880      0.00000
      7       8.1868      0.00000
      8       9.4050      0.00000
      9       9.5830      0.00000
     10      10.9580      0.00000
     11      11.1709      0.00000
     12      11.3401      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.7476      2.00000
      2      -0.4695      2.00000
      3       5.2805      1.99174
      4       5.2854      1.99133
      5       6.6025      0.00087
      6       7.1152      0.00001
      7       7.2961      0.00000
      8       7.3008      0.00000
      9       8.3909      0.00000
     10      10.6831      0.00000
     11      11.7502      0.00000
     12      13.6109      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.6963      2.00000
      2      -0.4255      2.00000
      3       4.6022      1.99999
      4       5.3294      1.98656
      5       6.4771      0.00306
      6       7.0771      0.00001
      7       7.3449      0.00000
      8       7.6639      0.00000
      9       8.9072      0.00000
     10      10.8873      0.00000
     11      11.7796      0.00000
     12      12.5090      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.5426      2.00000
      2      -0.2955      2.00000
      3       3.5554      2.00000
      4       5.4760      1.94308
      5       5.5890      1.83378
      6       7.2351      0.00000
      7       7.4907      0.00000
      8       8.7478      0.00000
      9       9.6411      0.00000
     10      11.3759      0.00000
     11      11.4760      0.00000
     12      11.8975      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2887      2.00000
      2      -0.0866      2.00000
      3       2.5432      2.00000
      4       4.6810      1.99998
      5       5.7192      1.49996
      6       7.4781      0.00000
      7       7.7306      0.00000
      8       9.4751      0.00000
      9      10.3404      0.00000
     10      10.6822      0.00000
     11      11.6382      0.00000
     12      12.3061      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.9395      2.00000
      2       0.1772      2.00000
      3       1.6311      2.00000
      4       3.8548      2.00000
      5       6.0560      0.18735
      6       7.8055      0.00000
      7       8.0551      0.00000
      8       9.4119      0.00000
      9       9.7856      0.00000
     10      11.1328      0.00000
     11      11.6290      0.00000
     12      11.9159      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.5101      2.00000
      2       0.3558      2.00000
      3       0.9540      2.00000
      4       3.1640      2.00000
      5       6.4759      0.00310
      6       8.1994      0.00000
      7       8.3829      0.00000
      8       8.6622      0.00000
      9       9.8515      0.00000
     10      10.6285      0.00000
     11      10.8265      0.00000
     12      12.4392      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.0780      2.00000
      2       0.0094      2.00000
      3       0.9336      2.00000
      4       2.7165      2.00000
      5       6.9159      0.00004
      6       7.9225      0.00000
      7       8.5773      0.00000
      8       8.8517      0.00000
      9       9.5982      0.00000
     10      10.2549      0.00000
     11      10.4774      0.00000
     12      12.7377      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.4522      2.00000
      2      -0.9430      2.00000
      3       5.6397      1.73839
      4       5.6446      1.72693
      5       6.7552      0.00019
      6       6.7600      0.00018
      7       7.1101      0.00001
      8       7.1905      0.00000
      9       7.7198      0.00000
     10      10.6565      0.00000
     11      13.1571      0.00000
     12      13.8307      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -0.9001      2.00000
      3       4.9395      1.99973
      4       5.6884      1.60636
      5       6.0765      0.15534
      6       6.8044      0.00012
      7       7.2734      0.00000
      8       7.8836      0.00000
      9       8.3089      0.00000
     10      10.8511      0.00000
     11      12.7888      0.00000
     12      13.1656      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.2411      2.00000
      2      -0.7731      2.00000
      3       3.8631      2.00000
      4       5.1364      1.99804
      5       5.8345      0.97275
      6       6.9512      0.00003
      7       7.4396      0.00000
      8       8.7233      0.00000
      9       9.4449      0.00000
     10      11.4686      0.00000
     11      11.6647      0.00000
     12      12.9469      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9787      2.00000
      2      -0.5678      2.00000
      3       2.8189      2.00000
      4       4.2380      2.00000
      5       6.0771      0.15440
      6       7.1930      0.00000
      7       7.6974      0.00000
      8       9.1761      0.00000
      9      10.6342      0.00000
     10      10.8796      0.00000
     11      12.0898      0.00000
     12      12.1414      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6146      2.00000
      2      -0.2995      2.00000
      3       1.8576      2.00000
      4       3.4352      2.00000
      5       6.4141      0.00574
      6       7.5219      0.00000
      7       8.0513      0.00000
      8       9.4535      0.00000
      9       9.7051      0.00000
     10      11.1478      0.00000
     11      11.3124      0.00000
     12      12.3933      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.1569      2.00000
      2      -0.0073      2.00000
      3       1.0015      2.00000
      4       2.7788      2.00000
      5       6.8374      0.00008
      6       7.9136      0.00000
      7       8.4939      0.00000
      8       8.8874      0.00000
      9       9.6341      0.00000
     10      10.3452      0.00000
     11      10.5327      0.00000
     12      13.0360      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.6550      2.00000
      2       0.1598      2.00000
      3       0.3575      2.00000
      4       2.3707      2.00000
      5       7.2942      0.00000
      6       8.1982      0.00000
      7       8.3054      0.00000
      8       8.9802      0.00000
      9       9.6800      0.00000
     10       9.7828      0.00000
     11       9.9248      0.00000
     12      12.9013      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.6768      2.00000
      2       2.9231      2.00000
      3       3.6015      2.00000
      4       4.3157      2.00000
      5       5.3995      1.97310
      6       6.0190      0.26027
      7       7.6100      0.00000
      8      10.1125      0.00000
      9      10.8381      0.00000
     10      11.6160      0.00000
     11      11.6589      0.00000
     12      12.2561      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.6270      2.00000
      2       2.9541      2.00000
      3       3.4925      2.00000
      4       3.8257      2.00000
      5       5.6558      1.69954
      6       6.4284      0.00498
      7       7.7760      0.00000
      8      10.0128      0.00000
      9      10.2485      0.00000
     10      10.9501      0.00000
     11      11.8360      0.00000
     12      12.3897      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4784      2.00000
      2       2.5060      2.00000
      3       3.1766      2.00000
      4       3.8599      2.00000
      5       5.8609      0.84188
      6       7.0144      0.00001
      7       8.4746      0.00000
      8       9.1245      0.00000
      9       9.6940      0.00000
     10      10.5266      0.00000
     11      11.4555      0.00000
     12      12.3351      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.2338      2.00000
      2       1.5424      2.00000
      3       3.4015      2.00000
      4       4.0847      2.00000
      5       6.1101      0.11357
      6       7.2632      0.00000
      7       8.1430      0.00000
      8       8.7694      0.00000
      9       9.7973      0.00000
     10      10.5769      0.00000
     11      10.7743      0.00000
     12      12.2282      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.9006      2.00000
      2       0.6401      2.00000
      3       3.7361      2.00000
      4       4.4017      2.00000
      5       6.4254      0.00513
      6       7.0232      0.00001
      7       7.5824      0.00000
      8       8.0468      0.00000
      9       9.8202      0.00000
     10      10.8529      0.00000
     11      11.2486      0.00000
     12      11.8661      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.5016      2.00000
      2      -0.1447      2.00000
      3       4.1504      2.00000
      4       4.7877      1.99994
      5       6.2903      0.01965
      6       6.6985      0.00033
      7       7.1731      0.00000
      8       7.9469      0.00000
      9       9.0761      0.00000
     10      11.0055      0.00000
     11      11.4108      0.00000
     12      13.0701      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.1333      2.00000
      2      -0.7071      2.00000
      3       4.5620      1.99999
      4       5.1740      1.99714
      5       5.6619      1.68364
      6       6.4222      0.00529
      7       7.2994      0.00000
      8       8.0766      0.00000
      9       8.4852      0.00000
     10      10.8411      0.00000
     11      11.6645      0.00000
     12      13.1578      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.5450      2.00000
      2       1.9886      2.00000
      3       3.7299      2.00000
      4       4.4479      2.00000
      5       5.9431      0.48460
      6       6.5656      0.00127
      7       7.8948      0.00000
      8       9.1831      0.00000
      9       9.8548      0.00000
     10      11.1261      0.00000
     11      11.7023      0.00000
     12      12.3431      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.4951      2.00000
      2       2.0277      2.00000
      3       3.6294      2.00000
      4       3.9598      2.00000
      5       6.5640      0.00128
      6       6.6336      0.00064
      7       7.9966      0.00000
      8       9.0434      0.00000
      9       9.4478      0.00000
     10      11.0081      0.00000
     11      11.5596      0.00000
     12      12.4913      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3461      2.00000
      2       2.0983      2.00000
      3       2.8007      2.00000
      4       3.9848      2.00000
      5       6.7503      0.00020
      6       7.3211      0.00000
      7       8.1389      0.00000
      8       8.6810      0.00000
      9       9.3536      0.00000
     10      10.1360      0.00000
     11      11.8603      0.00000
     12      12.4888      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1008      2.00000
      2       1.6103      2.00000
      3       2.5413      2.00000
      4       4.2066      2.00000
      5       6.8513      0.00007
      6       7.2072      0.00000
      7       7.8695      0.00000
      8       8.8539      0.00000
      9       9.5301      0.00000
     10      10.2105      0.00000
     11      11.4094      0.00000
     12      12.2859      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.7664      2.00000
      2       0.7478      2.00000
      3       2.8214      2.00000
      4       4.5161      2.00000
      5       6.1906      0.05238
      6       7.4072      0.00000
      7       7.7419      0.00000
      8       8.3547      0.00000
      9       9.9423      0.00000
     10      10.5979      0.00000
     11      11.4584      0.00000
     12      11.9626      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.3647      2.00000
      2      -0.0308      2.00000
      3       3.2041      2.00000
      4       4.8616      1.99987
      5       5.4885      1.93573
      6       7.1004      0.00001
      7       7.8574      0.00000
      8       8.4270      0.00000
      9       9.8062      0.00000
     10      10.2982      0.00000
     11      11.4451      0.00000
     12      12.7215      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.9912      2.00000
      2      -0.5959      2.00000
      3       3.5724      2.00000
      4       4.7990      1.99993
      5       5.3611      1.98160
      6       6.5729      0.00118
      7       8.3587      0.00000
      8       8.5482      0.00000
      9       9.1102      0.00000
     10      10.6450      0.00000
     11      11.1030      0.00000
     12      12.3427      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.3290      2.00000
      2       1.0865      2.00000
      3       3.9456      2.00000
      4       4.6664      1.99998
      5       6.2020      0.04687
      6       7.1269      0.00000
      7       8.2021      0.00000
      8       8.8052      0.00000
      9       8.9214      0.00000
     10      10.3812      0.00000
     11      11.9040      0.00000
     12      11.9216      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.2789      2.00000
      2       1.1293      2.00000
      3       3.8562      2.00000
      4       4.1619      2.00000
      5       6.7835      0.00014
      6       7.2720      0.00000
      7       8.1294      0.00000
      8       8.3664      0.00000
      9       9.0206      0.00000
     10      10.8342      0.00000
     11      11.1728      0.00000
     12      12.1437      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1292      2.00000
      2       1.2492      2.00000
      3       2.9687      2.00000
      4       4.1883      2.00000
      5       6.9168      0.00004
      6       7.5154      0.00000
      7       8.1283      0.00000
      8       8.4454      0.00000
      9       9.2432      0.00000
     10      10.2317      0.00000
     11      11.3489      0.00000
     12      12.6601      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.8825      2.00000
      2       1.3602      2.00000
      3       2.0997      2.00000
      4       4.4045      2.00000
      5       6.1924      0.05148
      6       7.5799      0.00000
      7       8.5419      0.00000
      8       8.7606      0.00000
      9       9.2917      0.00000
     10      10.2855      0.00000
     11      11.4979      0.00000
     12      12.3331      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.5456      2.00000
      2       0.8907      2.00000
      3       1.9727      2.00000
      4       4.6718      1.99998
      5       5.4100      1.97016
      6       7.8653      0.00000
      7       8.0671      0.00000
      8       9.0287      0.00000
      9       9.3208      0.00000
     10      11.0841      0.00000
     11      11.5538      0.00000
     12      12.2284      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.1392      2.00000
      2       0.1494      2.00000
      3       2.2947      2.00000
      4       4.4968      2.00000
      5       5.2374      1.99463
      6       7.3235      0.00000
      7       8.2752      0.00000
      8       9.4118      0.00000
      9       9.5024      0.00000
     10      10.4470      0.00000
     11      11.6983      0.00000
     12      12.1371      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.7558      2.00000
      2      -0.4173      2.00000
      3       2.6222      2.00000
      4       4.0193      2.00000
      5       5.5668      1.86459
      6       6.7713      0.00016
      7       8.6419      0.00000
      8       9.5624      0.00000
      9       9.7682      0.00000
     10      10.0158      0.00000
     11      11.1297      0.00000
     12      12.0698      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.0376      2.00000
      2       0.2694      2.00000
      3       4.2410      2.00000
      4       4.9668      1.99964
      5       6.4686      0.00333
      6       7.2937      0.00000
      7       7.6016      0.00000
      8       8.0795      0.00000
      9       9.5759      0.00000
     10      10.0225      0.00000
     11      11.5446      0.00000
     12      12.1828      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.9870      2.00000
      2       0.3136      2.00000
      3       4.1698      2.00000
      4       4.4302      2.00000
      5       6.9966      0.00002
      6       7.3170      0.00000
      7       7.3911      0.00000
      8       8.0314      0.00000
      9      10.0637      0.00000
     10      10.0658      0.00000
     11      11.3391      0.00000
     12      11.8571      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8360      2.00000
      2       0.4430      2.00000
      3       3.2509      2.00000
      4       4.4621      2.00000
      5       6.3381      0.01223
      6       7.5012      0.00000
      7       7.7219      0.00000
      8       8.7915      0.00000
      9      10.1016      0.00000
     10      10.4340      0.00000
     11      10.8043      0.00000
     12      12.2899      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5868      2.00000
      2       0.6413      2.00000
      3       2.2797      2.00000
      4       4.6483      1.99999
      5       5.4765      1.94283
      6       7.7455      0.00000
      7       7.9738      0.00000
      8       9.3572      0.00000
      9       9.9661      0.00000
     10      10.5656      0.00000
     11      11.1659      0.00000
     12      12.4371      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.2457      2.00000
      2       0.7920      2.00000
      3       1.5139      2.00000
      4       4.4542      2.00000
      5       5.1516      1.99772
      6       8.0216      0.00000
      7       8.1793      0.00000
      8       8.6325      0.00000
      9      10.5252      0.00000
     10      11.0144      0.00000
     11      11.5893      0.00000
     12      11.7233      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.8310      2.00000
      2       0.3636      2.00000
      3       1.4927      2.00000
      4       3.7931      2.00000
      5       5.4885      1.93577
      6       7.5748      0.00000
      7       8.5394      0.00000
      8       8.6779      0.00000
      9      10.4601      0.00000
     10      10.9077      0.00000
     11      11.2508      0.00000
     12      11.7887      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.4304      2.00000
      2      -0.1865      2.00000
      3       1.7524      2.00000
      4       3.3121      2.00000
      5       5.8687      0.80441
      6       7.0227      0.00001
      7       8.8956      0.00000
      8       8.9720      0.00000
      9       9.9832      0.00000
     10      10.5759      0.00000
     11      11.4063      0.00000
     12      11.9182      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.6963      2.00000
      2      -0.4256      2.00000
      3       4.5976      1.99999
      4       5.3343      1.98589
      5       6.4757      0.00311
      6       7.0791      0.00001
      7       7.3496      0.00000
      8       7.6600      0.00000
      9       8.9068      0.00000
     10      10.8859      0.00000
     11      11.7794      0.00000
     12      12.5089      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.6449      2.00000
      2      -0.3814      2.00000
      3       4.5601      1.99999
      4       4.7390      1.99996
      5       6.4735      0.00317
      6       6.8840      0.00005
      7       7.5722      0.00000
      8       8.0094      0.00000
      9       9.3413      0.00000
     10      11.0392      0.00000
     11      11.5841      0.00000
     12      12.0454      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4913      2.00000
      2      -0.2506      2.00000
      3       3.5954      2.00000
      4       4.7797      1.99994
      5       5.6852      1.61633
      6       6.9398      0.00003
      7       7.9510      0.00000
      8       9.0323      0.00000
      9      10.0080      0.00000
     10      10.6723      0.00000
     11      11.5486      0.00000
     12      12.0516      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2374      2.00000
      2      -0.0405      2.00000
      3       2.5879      2.00000
      4       4.6258      1.99999
      5       5.1741      1.99714
      6       7.1595      0.00000
      7       8.2159      0.00000
      8       9.6671      0.00000
      9      10.0757      0.00000
     10      10.7870      0.00000
     11      11.8200      0.00000
     12      12.1019      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.8881      2.00000
      2       0.2255      2.00000
      3       1.6769      2.00000
      4       3.8701      2.00000
      5       5.4344      1.96208
      6       7.4490      0.00000
      7       8.5303      0.00000
      8       8.8054      0.00000
      9      10.4599      0.00000
     10      11.1246      0.00000
     11      11.7361      0.00000
     12      12.0227      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.4586      2.00000
      2       0.4079      2.00000
      3       0.9994      2.00000
      4       3.1881      2.00000
      5       5.8327      0.98176
      6       7.6759      0.00000
      7       8.1190      0.00000
      8       8.9321      0.00000
      9      10.3264      0.00000
     10      10.6475      0.00000
     11      11.3435      0.00000
     12      12.5513      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.0258      2.00000
      2       0.0595      2.00000
      3       0.9844      2.00000
      4       2.7401      2.00000
      5       6.2445      0.03092
      6       7.2955      0.00000
      7       8.1842      0.00000
      8       9.3236      0.00000
      9       9.8150      0.00000
     10      10.4111      0.00000
     11      11.2407      0.00000
     12      12.8555      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.3994      2.00000
      2      -0.9002      2.00000
      3       4.9348      1.99974
      4       5.6933      1.59058
      5       6.0729      0.16051
      6       6.8091      0.00011
      7       7.2798      0.00000
      8       7.8793      0.00000
      9       8.3064      0.00000
     10      10.8499      0.00000
     11      12.7888      0.00000
     12      13.1657      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.3466      2.00000
      2      -0.8571      2.00000
      3       4.9680      1.99964
      4       4.9986      1.99951
      5       5.9002      0.65866
      6       6.4966      0.00252
      7       8.0241      0.00000
      8       8.0644      0.00000
      9       8.7123      0.00000
     10      10.9998      0.00000
     11      12.0341      0.00000
     12      13.1912      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.1884      2.00000
      2      -0.7294      2.00000
      3       3.9116      2.00000
      4       5.0245      1.99936
      5       5.2381      1.99459
      6       6.5018      0.00239
      7       8.2222      0.00000
      8       9.1907      0.00000
      9       9.5612      0.00000
     10      10.9640      0.00000
     11      11.5054      0.00000
     12      12.6238      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.9261      2.00000
      2      -0.5230      2.00000
      3       2.8687      2.00000
      4       4.2445      2.00000
      5       5.3989      1.97326
      6       6.6983      0.00034
      7       8.4775      0.00000
      8       9.7269      0.00000
      9       9.9827      0.00000
     10      10.9254      0.00000
     11      11.5176      0.00000
     12      12.6620      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5621      2.00000
      2      -0.2529      2.00000
      3       1.9082      2.00000
      4       3.4557      2.00000
      5       5.7363      1.43310
      6       6.9804      0.00002
      7       8.8194      0.00000
      8       9.0422      0.00000
      9      10.0071      0.00000
     10      10.7949      0.00000
     11      12.0521      0.00000
     12      12.4490      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.1045      2.00000
      2       0.0421      2.00000
      3       1.0525      2.00000
      4       2.8025      2.00000
      5       6.1641      0.06776
      6       7.3011      0.00000
      7       8.2247      0.00000
      8       9.2489      0.00000
      9       9.8487      0.00000
     10      10.4872      0.00000
     11      11.2864      0.00000
     12      13.4675      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.6027      2.00000
      2       0.2121      2.00000
      3       0.4087      2.00000
      4       2.3934      2.00000
      5       6.6276      0.00068
      6       7.4884      0.00000
      7       7.6400      0.00000
      8       9.4367      0.00000
      9       9.7567      0.00000
     10      10.4763      0.00000
     11      10.7029      0.00000
     12      13.3016      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.3962      2.00000
      2       2.0506      2.00000
      3       2.7836      2.00000
      4       4.5949      1.99999
      5       6.1424      0.08347
      6       7.1969      0.00000
      7       8.0879      0.00000
      8       8.7272      0.00000
      9       9.9552      0.00000
     10      10.6075      0.00000
     11      11.3153      0.00000
     12      12.1229      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.3462      2.00000
      2       2.0975      2.00000
      3       2.7980      2.00000
      4       3.9888      2.00000
      5       6.7546      0.00019
      6       7.3200      0.00000
      7       8.1344      0.00000
      8       8.6793      0.00000
      9       9.3558      0.00000
     10      10.1369      0.00000
     11      11.8627      0.00000
     12      12.4896      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1970      2.00000
      2       2.2148      2.00000
      3       2.6466      2.00000
      4       3.2891      2.00000
      5       7.2204      0.00000
      6       7.9066      0.00000
      7       8.2463      0.00000
      8       8.3108      0.00000
      9       8.7119      0.00000
     10       9.7346      0.00000
     11      12.2234      0.00000
     12      12.7918      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.9512      2.00000
      2       1.7489      2.00000
      3       2.5483      2.00000
      4       3.3227      2.00000
      5       7.1607      0.00000
      6       7.3907      0.00000
      7       7.8996      0.00000
      8       8.5858      0.00000
      9       8.9372      0.00000
     10      10.3299      0.00000
     11      11.8883      0.00000
     12      12.8332      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.6157      2.00000
      2       0.8845      2.00000
      3       2.8755      2.00000
      4       3.5809      2.00000
      5       6.2641      0.02548
      6       6.9390      0.00003
      7       7.9505      0.00000
      8       8.9021      0.00000
      9       9.2067      0.00000
     10      11.1555      0.00000
     11      11.6681      0.00000
     12      12.3728      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.2120      2.00000
      2       0.1056      2.00000
      3       3.2953      2.00000
      4       3.9076      2.00000
      5       5.4471      1.95708
      6       6.3113      0.01596
      7       8.3174      0.00000
      8       9.2988      0.00000
      9       9.3978      0.00000
     10      10.4508      0.00000
     11      11.5739      0.00000
     12      12.3888      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.8339      2.00000
      2      -0.4631      2.00000
      3       3.7116      2.00000
      4       4.2312      2.00000
      5       4.7757      1.99995
      6       5.8798      0.75133
      7       8.6861      0.00000
      8       9.5270      0.00000
      9       9.6641      0.00000
     10       9.9153      0.00000
     11      10.9947      0.00000
     12      12.2022      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -3.1795      2.00000
      2       1.2042      2.00000
      3       2.9389      2.00000
      4       4.8133      1.99992
      5       6.3490      0.01098
      6       7.3521      0.00000
      7       8.1406      0.00000
      8       9.0600      0.00000
      9       9.0783      0.00000
     10      10.7702      0.00000
     11      10.7792      0.00000
     12      12.3382      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -3.1293      2.00000
      2       1.2490      2.00000
      3       2.9653      2.00000
      4       4.1924      2.00000
      5       6.9183      0.00004
      6       7.5164      0.00000
      7       8.1247      0.00000
      8       8.4478      0.00000
      9       9.2418      0.00000
     10      10.2324      0.00000
     11      11.3524      0.00000
     12      12.6553      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9794      2.00000
      2       1.3761      2.00000
      3       2.8771      2.00000
      4       3.4123      2.00000
      5       7.1155      0.00001
      6       7.5496      0.00000
      7       8.3884      0.00000
      8       8.3979      0.00000
      9       8.9397      0.00000
     10       9.8979      0.00000
     11      12.1323      0.00000
     12      12.9386      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7323      2.00000
      2       1.5091      2.00000
      3       2.1721      2.00000
      4       3.4431      2.00000
      5       6.3409      0.01190
      6       7.5105      0.00000
      7       8.2053      0.00000
      8       8.6469      0.00000
      9       9.2570      0.00000
     10      10.5246      0.00000
     11      12.4301      0.00000
     12      12.5701      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.3945      2.00000
      2       1.0370      2.00000
      3       2.0767      2.00000
      4       3.7105      2.00000
      5       5.4920      1.93356
      6       7.0617      0.00001
      7       8.1400      0.00000
      8       8.9824      0.00000
      9       9.6147      0.00000
     10      11.5025      0.00000
     11      12.0464      0.00000
     12      12.0507      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.9863      2.00000
      2       0.2899      2.00000
      3       2.4213      2.00000
      4       4.0124      2.00000
      5       4.7786      1.99995
      6       6.4022      0.00646
      7       8.4344      0.00000
      8       9.4163      0.00000
      9       9.8537      0.00000
     10      10.8944      0.00000
     11      11.3327      0.00000
     12      12.7085      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.5988      2.00000
      2      -0.2811      2.00000
      3       2.7699      2.00000
      4       4.0138      2.00000
      5       4.5377      2.00000
      6       5.9237      0.55903
      7       8.7108      0.00000
      8       9.9097      0.00000
      9      10.0568      0.00000
     10      10.3592      0.00000
     11      10.6733      0.00000
     12      12.5066      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.8867      2.00000
      2       0.3978      2.00000
      3       3.2144      2.00000
      4       5.1136      1.99844
      5       6.1440      0.08222
      6       7.0649      0.00001
      7       8.2234      0.00000
      8       8.5874      0.00000
      9       9.9161      0.00000
     10      10.4158      0.00000
     11      11.0461      0.00000
     12      12.0890      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.8361      2.00000
      2       0.4429      2.00000
      3       3.2473      2.00000
      4       4.4662      2.00000
      5       6.3355      0.01255
      6       7.5066      0.00000
      7       7.7248      0.00000
      8       8.7861      0.00000
      9      10.1019      0.00000
     10      10.4367      0.00000
     11      10.8044      0.00000
     12      12.2858      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6849      2.00000
      2       0.5753      2.00000
      3       3.1963      2.00000
      4       3.6329      2.00000
      5       6.2766      0.02251
      6       6.8844      0.00005
      7       8.6962      0.00000
      8       9.0989      0.00000
      9       9.3255      0.00000
     10      10.5873      0.00000
     11      11.5172      0.00000
     12      12.4067      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4355      2.00000
      2       0.7802      2.00000
      3       2.3868      2.00000
      4       3.6789      2.00000
      5       5.5543      1.87954
      6       6.8809      0.00005
      7       8.4066      0.00000
      8       9.1366      0.00000
      9      10.1489      0.00000
     10      10.8977      0.00000
     11      11.7588      0.00000
     12      12.1741      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.0937      2.00000
      2       0.9461      2.00000
      3       1.6271      2.00000
      4       3.9096      2.00000
      5       4.7900      1.99994
      6       6.9723      0.00002
      7       7.7115      0.00000
      8       9.4635      0.00000
      9      10.6203      0.00000
     10      11.0107      0.00000
     11      12.0712      0.00000
     12      12.3784      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.6777      2.00000
      2       0.5119      2.00000
      3       1.6244      2.00000
      4       3.7926      2.00000
      5       4.5498      1.99999
      6       6.5732      0.00117
      7       7.6748      0.00000
      8       9.7820      0.00000
      9      10.2118      0.00000
     10      11.1605      0.00000
     11      11.9381      0.00000
     12      12.8667      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.2738      2.00000
      2      -0.0449      2.00000
      3       1.9028      2.00000
      4       3.3672      2.00000
      5       4.8154      1.99992
      6       6.0897      0.13746
      7       7.8784      0.00000
      8       9.6422      0.00000
      9      10.3092      0.00000
     10      11.2102      0.00000
     11      11.6023      0.00000
     12      13.1172      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.5428      2.00000
      2      -0.2956      2.00000
      3       3.5516      2.00000
      4       5.4808      1.94037
      5       5.5861      1.83815
      6       7.2408      0.00000
      7       7.4953      0.00000
      8       8.7450      0.00000
      9       9.6397      0.00000
     10      11.3766      0.00000
     11      11.4733      0.00000
     12      11.8957      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.4914      2.00000
      2      -0.2508      2.00000
      3       3.5916      2.00000
      4       4.7837      1.99994
      5       5.6827      1.62401
      6       6.9435      0.00003
      7       7.9569      0.00000
      8       9.0272      0.00000
      9      10.0094      0.00000
     10      10.6726      0.00000
     11      11.5462      0.00000
     12      12.0502      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.3378      2.00000
      2      -0.1179      2.00000
      3       3.5954      2.00000
      4       3.8869      2.00000
      5       5.5231      1.91039
      6       6.3204      0.01459
      7       9.0857      0.00000
      8       9.4121      0.00000
      9       9.6651      0.00000
     10      10.8472      0.00000
     11      11.7437      0.00000
     12      11.7984      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0839      2.00000
      2       0.0961      2.00000
      3       2.7153      2.00000
      4       3.9541      2.00000
      5       4.8760      1.99985
      6       6.2881      0.02010
      7       8.6926      0.00000
      8       9.4871      0.00000
      9      10.6441      0.00000
     10      10.9817      0.00000
     11      11.5281      0.00000
     12      12.2553      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.7345      2.00000
      2       0.3692      2.00000
      3       1.8123      2.00000
      4       3.8479      2.00000
      5       4.5101      2.00000
      6       6.4797      0.00298
      7       7.8258      0.00000
      8       9.7629      0.00000
      9      10.2894      0.00000
     10      11.6966      0.00000
     11      12.1068      0.00000
     12      12.7310      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.3043      2.00000
      2       0.5639      2.00000
      3       1.1339      2.00000
      4       3.2508      2.00000
      5       4.8143      1.99992
      6       6.6058      0.00085
      7       7.1929      0.00000
      8       9.5045      0.00000
      9      10.3136      0.00000
     10      11.9304      0.00000
     11      12.4391      0.00000
     12      12.8123      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.8694      2.00000
      2       0.2090      2.00000
      3       1.1362      2.00000
      4       2.8070      2.00000
      5       5.1897      1.99666
      6       6.2848      0.02077
      7       7.1465      0.00000
      8       9.1333      0.00000
      9      10.6807      0.00000
     10      11.6274      0.00000
     11      12.5196      0.00000
     12      13.0261      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.2413      2.00000
      2      -0.7732      2.00000
      3       3.8590      2.00000
      4       5.1333      1.99810
      5       5.8393      0.94873
      6       6.9558      0.00003
      7       7.4462      0.00000
      8       8.7249      0.00000
      9       9.4379      0.00000
     10      11.4645      0.00000
     11      11.6654      0.00000
     12      12.9558      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.1885      2.00000
      2      -0.7295      2.00000
      3       3.9076      2.00000
      4       5.0251      1.99936
      5       5.2395      1.99451
      6       6.5052      0.00231
      7       8.2290      0.00000
      8       9.1897      0.00000
      9       9.5568      0.00000
     10      10.9644      0.00000
     11      11.5024      0.00000
     12      12.6239      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.0306      2.00000
      2      -0.5999      2.00000
      3       4.0211      2.00000
      4       4.0837      2.00000
      5       4.9188      1.99978
      6       5.9659      0.40583
      7       9.5229      0.00000
      8       9.5665      0.00000
      9       9.9379      0.00000
     10      10.2590      0.00000
     11      11.2809      0.00000
     12      12.3202      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7685      2.00000
      2      -0.3901      2.00000
      3       3.0169      2.00000
      4       4.1542      2.00000
      5       4.4249      2.00000
      6       5.8998      0.66015
      7       8.9266      0.00000
      8       9.8010      0.00000
      9      10.5106      0.00000
     10      10.8683      0.00000
     11      11.1886      0.00000
     12      12.9280      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4049      2.00000
      2      -0.1143      2.00000
      3       2.0592      2.00000
      4       3.5051      2.00000
      5       4.6813      1.99998
      6       6.0717      0.16228
      7       8.0065      0.00000
      8       9.7712      0.00000
      9      10.1856      0.00000
     10      11.3881      0.00000
     11      12.5951      0.00000
     12      13.3010      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.9478      2.00000
      2       0.1891      2.00000
      3       1.2049      2.00000
      4       2.8694      2.00000
      5       5.1078      1.99853
      6       6.3025      0.01742
      7       7.1896      0.00000
      8       9.1918      0.00000
      9      10.5950      0.00000
     10      11.6896      0.00000
     11      12.5623      0.00000
     12      13.9151      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.4461      2.00000
      2       0.3688      2.00000
      3       0.5619      2.00000
      4       2.4589      2.00000
      5       5.5737      1.85568
      6       6.4149      0.00569
      7       6.5960      0.00093
      8       8.8309      0.00000
      9      11.0616      0.00000
     10      11.7954      0.00000
     11      11.9986      0.00000
     12      14.2288      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.9332      2.00000
      2       1.3086      2.00000
      3       2.0653      2.00000
      4       5.0570      1.99911
      5       5.9884      0.33789
      6       7.0287      0.00001
      7       8.7712      0.00000
      8       9.2498      0.00000
      9       9.7781      0.00000
     10       9.9931      0.00000
     11      10.8319      0.00000
     12      11.9154      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.8828      2.00000
      2       1.3590      2.00000
      3       2.0976      2.00000
      4       4.4085      2.00000
      5       6.1903      0.05256
      6       7.5854      0.00000
      7       8.5445      0.00000
      8       8.7611      0.00000
      9       9.2912      0.00000
     10      10.2807      0.00000
     11      11.5022      0.00000
     12      12.3364      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7325      2.00000
      2       1.5082      2.00000
      3       2.1703      2.00000
      4       3.4461      2.00000
      5       6.3385      0.01218
      6       7.5129      0.00000
      7       8.2065      0.00000
      8       8.6516      0.00000
      9       9.2563      0.00000
     10      10.5195      0.00000
     11      12.4327      0.00000
     12      12.5707      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.4845      2.00000
      2       1.7258      2.00000
      3       2.0576      2.00000
      4       2.8022      2.00000
      5       6.3444      0.01150
      6       6.5625      0.00130
      7       7.5254      0.00000
      8       9.1766      0.00000
      9      10.1358      0.00000
     10      10.8211      0.00000
     11      11.7982      0.00000
     12      12.8731      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.1451      2.00000
      2       1.2708      2.00000
      3       2.1468      2.00000
      4       2.8740      2.00000
      5       5.5417      1.89305
      6       6.1499      0.07771
      7       7.3066      0.00000
      8       9.5022      0.00000
      9      10.5016      0.00000
     10      10.9312      0.00000
     11      12.2774      0.00000
     12      12.6240      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.7335      2.00000
      2       0.5185      2.00000
      3       2.5701      2.00000
      4       3.1448      2.00000
      5       4.7107      1.99997
      6       5.6253      1.76942
      7       7.4907      0.00000
      8       9.7508      0.00000
      9      10.1293      0.00000
     10      11.1243      0.00000
     11      12.0342      0.00000
     12      13.5602      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.3384      2.00000
      2      -0.0591      2.00000
      3       3.0018      2.00000
      4       3.4244      2.00000
      5       4.0236      2.00000
      6       5.2472      1.99408
      7       7.7063      0.00000
      8       9.5098      0.00000
      9      10.3161      0.00000
     10      11.2490      0.00000
     11      11.6089      0.00000
     12      13.3096      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.6378      2.00000
      2       0.5937      2.00000
      3       2.2368      2.00000
      4       5.3132      1.98856
      5       5.3570      1.98233
      6       7.2185      0.00000
      7       8.4574      0.00000
      8       9.7308      0.00000
      9      10.0123      0.00000
     10      10.1912      0.00000
     11      10.7911      0.00000
     12      12.0431      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.5871      2.00000
      2       0.6408      2.00000
      3       2.2768      2.00000
      4       4.6519      1.99998
      5       5.4745      1.94391
      6       7.7506      0.00000
      7       7.9784      0.00000
      8       9.3585      0.00000
      9       9.9611      0.00000
     10      10.5672      0.00000
     11      11.1667      0.00000
     12      12.4398      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4357      2.00000
      2       0.7799      2.00000
      3       2.3842      2.00000
      4       3.6821      2.00000
      5       5.5521      1.88197
      6       6.8837      0.00005
      7       8.4075      0.00000
      8       9.1430      0.00000
      9      10.1438      0.00000
     10      10.8957      0.00000
     11      11.7612      0.00000
     12      12.1760      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1857      2.00000
      2       0.9992      2.00000
      3       2.3794      2.00000
      4       2.9277      2.00000
      5       5.4863      1.93712
      6       6.1325      0.09182
      7       7.5345      0.00000
      8      10.3792      0.00000
      9      10.4427      0.00000
     10      10.5936      0.00000
     11      11.6951      0.00000
     12      12.9785      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.8428      2.00000
      2       1.2001      2.00000
      3       1.7837      2.00000
      4       3.0150      2.00000
      5       4.8563      1.99988
      6       5.9473      0.46924
      7       6.8825      0.00005
      8       9.9067      0.00000
      9      10.7337      0.00000
     10      11.2803      0.00000
     11      12.5714      0.00000
     12      13.3401      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.4242      2.00000
      2       0.7551      2.00000
      3       1.8311      2.00000
      4       3.3020      2.00000
      5       4.1615      2.00000
      6       5.6026      1.81187
      7       6.7517      0.00020
      8       9.2971      0.00000
      9      11.1596      0.00000
     10      11.6604      0.00000
     11      12.9755      0.00000
     12      13.9392      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.0139      2.00000
      2       0.1869      2.00000
      3       2.1500      2.00000
      4       3.3886      2.00000
      5       3.8292      2.00000
      6       5.2057      1.99608
      7       6.8693      0.00006
      8       8.9157      0.00000
      9      11.6342      0.00000
     10      11.8783      0.00000
     11      12.3929      0.00000
     12      13.7890      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.2890      2.00000
      2      -0.0870      2.00000
      3       2.5399      2.00000
      4       4.6784      1.99998
      5       5.7238      1.48244
      6       7.4842      0.00000
      7       7.7350      0.00000
      8       9.4783      0.00000
      9      10.3418      0.00000
     10      10.6756      0.00000
     11      11.6396      0.00000
     12      12.3055      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.2377      2.00000
      2      -0.0409      2.00000
      3       2.5847      2.00000
      4       4.6245      1.99999
      5       5.1770      1.99706
      6       7.1634      0.00000
      7       8.2222      0.00000
      8       9.6686      0.00000
      9      10.0770      0.00000
     10      10.7825      0.00000
     11      11.8204      0.00000
     12      12.1016      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0841      2.00000
      2       0.0959      2.00000
      3       2.7123      2.00000
      4       3.9571      2.00000
      5       4.8745      1.99986
      6       6.2907      0.01958
      7       8.6933      0.00000
      8       9.4941      0.00000
      9      10.6375      0.00000
     10      10.9834      0.00000
     11      11.5305      0.00000
     12      12.2537      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8301      2.00000
      2       0.3173      2.00000
      3       2.7819      2.00000
      4       3.1387      2.00000
      5       4.7235      1.99997
      6       5.6476      1.71989
      7       7.7379      0.00000
      8      10.1039      0.00000
      9      10.8230      0.00000
     10      11.1097      0.00000
     11      12.5050      0.00000
     12      12.5164      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.4803      2.00000
      2       0.6036      2.00000
      3       2.0254      2.00000
      4       3.2643      2.00000
      5       4.1954      2.00000
      6       5.5507      1.88357
      7       6.8861      0.00005
      8       9.3804      0.00000
      9      11.2960      0.00000
     10      12.2705      0.00000
     11      12.9480      0.00000
     12      13.2481      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.0489      2.00000
      2       0.8226      2.00000
      3       1.3501      2.00000
      4       3.2723      2.00000
      5       3.9032      2.00000
      6       5.5704      1.85995
      7       6.2676      0.02461
      8       8.7931      0.00000
      9      11.7110      0.00000
     10      12.8957      0.00000
     11      13.3488      0.00000
     12      13.8393      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.6099      2.00000
      2       0.4553      2.00000
      3       1.3869      2.00000
      4       2.9015      2.00000
      5       4.1655      2.00000
      6       5.2980      1.99017
      7       6.1339      0.09060
      8       8.4459      0.00000
      9      12.1333      0.00000
     10      12.9528      0.00000
     11      13.2941      0.00000
     12      13.9032      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.9790      2.00000
      2      -0.5682      2.00000
      3       2.8154      2.00000
      4       4.2355      2.00000
      5       6.0818      0.14792
      6       7.1973      0.00000
      7       7.7038      0.00000
      8       9.1801      0.00000
      9      10.6357      0.00000
     10      10.8711      0.00000
     11      12.0911      0.00000
     12      12.1442      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.9263      2.00000
      2      -0.5234      2.00000
      3       2.8653      2.00000
      4       4.2422      2.00000
      5       5.4032      1.97210
      6       6.7020      0.00032
      7       8.4842      0.00000
      8       9.7310      0.00000
      9       9.9841      0.00000
     10      10.9171      0.00000
     11      11.5176      0.00000
     12      12.6567      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.7687      2.00000
      2      -0.3903      2.00000
      3       3.0137      2.00000
      4       4.1545      2.00000
      5       4.4265      2.00000
      6       5.9022      0.64986
      7       8.9273      0.00000
      8       9.8084      0.00000
      9      10.5129      0.00000
     10      10.8659      0.00000
     11      11.1841      0.00000
     12      12.9238      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5071      2.00000
      2      -0.1742      2.00000
      3       3.2121      2.00000
      4       3.3051      2.00000
      5       4.1125      2.00000
      6       5.3336      1.98599
      7       7.9233      0.00000
      8       9.7631      0.00000
      9      11.2326      0.00000
     10      11.3310      0.00000
     11      11.9910      0.00000
     12      13.3952      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1442      2.00000
      2       0.1115      2.00000
      3       2.3080      2.00000
      4       3.4598      2.00000
      5       3.7418      2.00000
      6       5.2219      1.99540
      7       6.9981      0.00002
      8       9.0545      0.00000
      9      11.6233      0.00000
     10      12.6121      0.00000
     11      12.8737      0.00000
     12      14.2008      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.6877      2.00000
      2       0.4306      2.00000
      3       1.4571      2.00000
      4       2.9627      2.00000
      5       4.0822      2.00000
      6       5.3275      1.98682
      7       6.1778      0.05936
      8       8.4999      0.00000
      9      12.0490      0.00000
     10      13.0666      0.00000
     11      13.9433      0.00000
     12      14.1591      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.1861      2.00000
      2       0.6289      2.00000
      3       0.8153      2.00000
      4       2.5578      2.00000
      5       4.5432      1.99999
      6       5.3766      1.97855
      7       5.5771      1.85098
      8       8.1818      0.00000
      9      12.5180      0.00000
     10      13.2235      0.00000
     11      13.4189      0.00000
     12      14.7034      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.2970      2.00000
      2       0.7389      2.00000
      3       1.4728      2.00000
      4       4.4876      2.00000
      5       5.6938      1.58894
      6       7.5104      0.00000
      7       8.7279      0.00000
      8       9.1351      0.00000
      9      10.0945      0.00000
     10      10.5248      0.00000
     11      11.2128      0.00000
     12      12.2406      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.2462      2.00000
      2       0.7905      2.00000
      3       1.5122      2.00000
      4       4.4530      2.00000
      5       5.1547      1.99765
      6       8.0250      0.00000
      7       8.1850      0.00000
      8       8.6350      0.00000
      9      10.5248      0.00000
     10      11.0191      0.00000
     11      11.5915      0.00000
     12      11.7207      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0942      2.00000
      2       0.9448      2.00000
      3       1.6256      2.00000
      4       3.9121      2.00000
      5       4.7888      1.99994
      6       6.9748      0.00002
      7       7.7134      0.00000
      8       9.4702      0.00000
      9      10.6205      0.00000
     10      11.0099      0.00000
     11      12.0707      0.00000
     12      12.3786      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8430      2.00000
      2       1.1991      2.00000
      3       1.7825      2.00000
      4       3.0172      2.00000
      5       4.8548      1.99988
      6       5.9489      0.46331
      7       6.8835      0.00005
      8       9.9075      0.00000
      9      10.7379      0.00000
     10      11.2811      0.00000
     11      12.5652      0.00000
     12      13.3423      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.4979      2.00000
      2       1.5226      2.00000
      3       1.7562      2.00000
      4       2.4359      2.00000
      5       4.8818      1.99985
      6       5.0404      1.99925
      7       6.2301      0.03560
      8       9.1897      0.00000
      9      11.2906      0.00000
     10      12.3399      0.00000
     11      13.1314      0.00000
     12      13.7905      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.0748      2.00000
      2       1.0807      2.00000
      3       2.0169      2.00000
      4       2.5554      2.00000
      5       4.1431      2.00000
      6       4.7942      1.99994
      7       5.9411      0.49169
      8       8.6090      0.00000
      9      11.6982      0.00000
     10      12.9405      0.00000
     11      13.6190      0.00000
     12      14.4230      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.6535      2.00000
      2       0.4989      2.00000
      3       2.4686      2.00000
      4       2.7969      2.00000
      5       3.4499      2.00000
      6       4.5435      1.99999
      7       5.9415      0.49034
      8       8.2674      0.00000
      9      12.0734      0.00000
     10      13.0250      0.00000
     11      13.4128      0.00000
     12      14.7975      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.9400      2.00000
      2       0.1764      2.00000
      3       1.6285      2.00000
      4       3.8528      2.00000
      5       6.0604      0.18006
      6       7.8115      0.00000
      7       8.0592      0.00000
      8       9.4140      0.00000
      9       9.7905      0.00000
     10      11.1363      0.00000
     11      11.6310      0.00000
     12      11.9104      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.8886      2.00000
      2       0.2248      2.00000
      3       1.6744      2.00000
      4       3.8682      2.00000
      5       5.4384      1.96058
      6       7.4526      0.00000
      7       8.5364      0.00000
      8       8.8074      0.00000
      9      10.4651      0.00000
     10      11.1262      0.00000
     11      11.7383      0.00000
     12      12.0181      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.7349      2.00000
      2       0.3686      2.00000
      3       1.8099      2.00000
      4       3.8472      2.00000
      5       4.5123      2.00000
      6       6.4826      0.00290
      7       7.8271      0.00000
      8       9.7691      0.00000
      9      10.2914      0.00000
     10      11.6997      0.00000
     11      12.1046      0.00000
     12      12.7285      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4805      2.00000
      2       0.6032      2.00000
      3       2.0232      2.00000
      4       3.2665      2.00000
      5       4.1944      2.00000
      6       5.5525      1.88155
      7       6.8867      0.00005
      8       9.3811      0.00000
      9      11.3034      0.00000
     10      12.2653      0.00000
     11      12.9500      0.00000
     12      13.2477      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.1298      2.00000
      2       0.9132      2.00000
      3       2.1602      2.00000
      4       2.5616      2.00000
      5       4.1150      2.00000
      6       4.8513      1.99989
      7       6.0542      0.19050
      8       8.6881      0.00000
      9      12.5723      0.00000
     10      12.7087      0.00000
     11      13.5880      0.00000
     12      14.0941      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.6961      2.00000
      2       1.1805      2.00000
      3       1.6231      2.00000
      4       2.7477      2.00000
      5       3.6546      2.00000
      6       4.6179      1.99999
      7       5.4347      1.96198
      8       8.1508      0.00000
      9      13.0124      0.00000
     10      13.4611      0.00000
     11      14.4727      0.00000
     12      14.7226      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.2498      2.00000
      2       0.7915      2.00000
      3       1.7304      2.00000
      4       2.9416      2.00000
      5       3.2812      2.00000
      6       4.4121      2.00000
      7       5.2038      1.99616
      8       7.8471      0.00000
      9      13.4533      0.00000
     10      13.8027      0.00000
     11      14.1862      0.00000
     12      15.1855      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.6151      2.00000
      2      -0.3002      2.00000
      3       1.8548      2.00000
      4       3.4332      2.00000
      5       6.4185      0.00549
      6       7.5260      0.00000
      7       8.0575      0.00000
      8       9.4584      0.00000
      9       9.7071      0.00000
     10      11.1497      0.00000
     11      11.3164      0.00000
     12      12.3842      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.5626      2.00000
      2      -0.2535      2.00000
      3       1.9054      2.00000
      4       3.4539      2.00000
      5       5.7404      1.41621
      6       6.9840      0.00002
      7       8.8258      0.00000
      8       9.0442      0.00000
      9      10.0121      0.00000
     10      10.7967      0.00000
     11      12.0562      0.00000
     12      12.4400      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.4054      2.00000
      2      -0.1149      2.00000
      3       2.0566      2.00000
      4       3.5035      2.00000
      5       4.6848      1.99998
      6       6.0745      0.15827
      7       8.0077      0.00000
      8       9.7731      0.00000
      9      10.1924      0.00000
     10      11.3931      0.00000
     11      12.5862      0.00000
     12      13.3055      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1444      2.00000
      2       0.1112      2.00000
      3       2.3056      2.00000
      4       3.4602      2.00000
      5       3.7431      2.00000
      6       5.2235      1.99532
      7       6.9987      0.00002
      8       9.0551      0.00000
      9      11.6313      0.00000
     10      12.6143      0.00000
     11      12.8676      0.00000
     12      14.1984      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.7822      2.00000
      2       0.4131      2.00000
      3       2.5907      2.00000
      4       2.7097      2.00000
      5       3.5025      2.00000
      6       4.6338      1.99999
      7       6.0696      0.16547
      8       8.3964      0.00000
      9      13.0796      0.00000
     10      13.1953      0.00000
     11      13.8185      0.00000
     12      14.6165      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.3265      2.00000
      2       0.7581      2.00000
      3       1.8041      2.00000
      4       2.9626      2.00000
      5       3.2306      2.00000
      6       4.4599      2.00000
      7       5.2472      1.99407
      8       7.8954      0.00000
      9      13.5540      0.00000
     10      14.4266      0.00000
     11      14.4896      0.00000
     12      15.1788      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.1755      2.00000
      2       0.9899      2.00000
      3       1.1642      2.00000
      4       2.6713      2.00000
      5       3.5947      2.00000
      6       4.4210      2.00000
      7       4.6406      1.99999
      8       7.6179      0.00000
      9      14.0263      0.00000
     10      14.6617      0.00000
     11      14.8620      0.00000
     12      15.0485      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.5110      2.00000
      2       0.3542      2.00000
      3       0.9524      2.00000
      4       3.1626      2.00000
      5       6.4800      0.00297
      6       8.2052      0.00000
      7       8.3863      0.00000
      8       8.6653      0.00000
      9       9.8565      0.00000
     10      10.6332      0.00000
     11      10.8291      0.00000
     12      12.4384      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.4594      2.00000
      2       0.4064      2.00000
      3       0.9979      2.00000
      4       3.1867      2.00000
      5       5.8364      0.96313
      6       7.6789      0.00000
      7       8.1218      0.00000
      8       8.9381      0.00000
      9      10.3292      0.00000
     10      10.6525      0.00000
     11      11.3481      0.00000
     12      12.5500      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.3051      2.00000
      2       0.5625      2.00000
      3       1.1325      2.00000
      4       3.2497      2.00000
      5       4.8173      1.99992
      6       6.6082      0.00083
      7       7.1951      0.00000
      8       9.5067      0.00000
      9      10.3199      0.00000
     10      11.9359      0.00000
     11      12.4432      0.00000
     12      12.8121      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0495      2.00000
      2       0.8213      2.00000
      3       1.3489      2.00000
      4       3.2720      2.00000
      5       3.9048      2.00000
      6       5.5721      1.85772
      7       6.2691      0.02426
      8       8.7942      0.00000
      9      11.7184      0.00000
     10      12.8949      0.00000
     11      13.3544      0.00000
     12      13.8432      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.6964      2.00000
      2       1.1796      2.00000
      3       1.6223      2.00000
      4       2.7491      2.00000
      5       3.6540      2.00000
      6       4.6190      1.99999
      7       5.4354      1.96170
      8       8.1513      0.00000
      9      13.0160      0.00000
     10      13.4639      0.00000
     11      14.4753      0.00000
     12      14.7167      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.2576      2.00000
      2       1.6077      2.00000
      3       1.7416      2.00000
      4       2.1994      2.00000
      5       3.7067      2.00000
      6       3.7847      2.00000
      7       4.7629      1.99995
      8       7.6671      0.00000
      9      13.5537      0.00000
     10      14.6277      0.00000
     11      15.0115      0.00000
     12      15.3948      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.2029      2.00000
      2       1.1964      2.00000
      3       2.1181      2.00000
      4       2.3566      2.00000
      5       3.0644      2.00000
      6       3.7317      2.00000
      7       4.3846      2.00000
      8       7.4018      0.00000
      9      13.9494      0.00000
     10      14.7935      0.00000
     11      15.3122      0.00000
     12      15.6233      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -1.1577      2.00000
      2      -0.0084      2.00000
      3       0.9993      2.00000
      4       2.7775      2.00000
      5       6.8415      0.00008
      6       7.9174      0.00000
      7       8.4999      0.00000
      8       8.8901      0.00000
      9       9.6392      0.00000
     10      10.3478      0.00000
     11      10.5373      0.00000
     12      13.0394      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -1.1054      2.00000
      2       0.0410      2.00000
      3       1.0503      2.00000
      4       2.8012      2.00000
      5       6.1679      0.06529
      6       7.3045      0.00000
      7       8.2272      0.00000
      8       9.2551      0.00000
      9       9.8518      0.00000
     10      10.4919      0.00000
     11      11.2913      0.00000
     12      13.4714      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.9485      2.00000
      2       0.1882      2.00000
      3       1.2028      2.00000
      4       2.8683      2.00000
      5       5.1110      1.99848
      6       6.3052      0.01697
      7       7.1914      0.00000
      8       9.1937      0.00000
      9      10.6019      0.00000
     10      11.6956      0.00000
     11      12.5677      0.00000
     12      13.9087      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6882      2.00000
      2       0.4299      2.00000
      3       1.4552      2.00000
      4       2.9618      2.00000
      5       4.0848      2.00000
      6       5.3294      1.98657
      7       6.1790      0.05868
      8       8.5010      0.00000
      9      12.0568      0.00000
     10      13.0731      0.00000
     11      13.9488      0.00000
     12      14.1532      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3268      2.00000
      2       0.7576      2.00000
      3       1.8024      2.00000
      4       2.9630      2.00000
      5       3.2314      2.00000
      6       4.4610      2.00000
      7       5.2478      1.99404
      8       7.8959      0.00000
      9      13.5623      0.00000
     10      14.4282      0.00000
     11      14.4877      0.00000
     12      15.1780      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.1284      2.00000
      2       1.1456      2.00000
      3       2.1714      2.00000
      4       2.3051      2.00000
      5       3.0942      2.00000
      6       3.8137      2.00000
      7       4.4264      2.00000
      8       7.4451      0.00000
      9      14.8186      0.00000
     10      14.9847      0.00000
     11      15.5096      0.00000
     12      15.7779      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.6326      2.00000
      2       1.4443      2.00000
      3       1.5930      2.00000
      4       2.6685      2.00000
      5       2.8542      2.00000
      6       3.5668      2.00000
      7       3.8133      2.00000
      8       7.2011      0.00000
      9      15.2739      0.00000
     10      15.6654      0.00000
     11      15.9084      0.00000
     12      16.1404      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.6562      2.00000
      2       0.1581      2.00000
      3       0.3559      2.00000
      4       2.3699      2.00000
      5       7.2980      0.00000
      6       8.2013      0.00000
      7       8.3087      0.00000
      8       8.9858      0.00000
      9       9.6851      0.00000
     10       9.7860      0.00000
     11       9.9299      0.00000
     12      12.9054      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.6039      2.00000
      2       0.2104      2.00000
      3       0.4072      2.00000
      4       2.3927      2.00000
      5       6.6312      0.00066
      6       7.4914      0.00000
      7       7.6431      0.00000
      8       9.4398      0.00000
      9       9.7625      0.00000
     10      10.4817      0.00000
     11      10.7083      0.00000
     12      13.3062      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.4472      2.00000
      2       0.3672      2.00000
      3       0.5605      2.00000
      4       2.4582      2.00000
      5       5.5766      1.85175
      6       6.4173      0.00556
      7       6.5984      0.00091
      8       8.8330      0.00000
      9      11.0683      0.00000
     10      11.8014      0.00000
     11      12.0047      0.00000
     12      14.2337      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1869      2.00000
      2       0.6275      2.00000
      3       0.8141      2.00000
      4       2.5573      2.00000
      5       4.5455      1.99999
      6       5.3783      1.97819
      7       5.5789      1.84855
      8       8.1833      0.00000
      9      12.5255      0.00000
     10      13.2302      0.00000
     11      13.4257      0.00000
     12      14.7006      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1749      2.00000
      2       0.9888      2.00000
      3       1.1632      2.00000
      4       2.6711      2.00000
      5       3.5963      2.00000
      6       4.4221      2.00000
      7       4.6417      1.99999
      8       7.6187      0.00000
      9      14.0344      0.00000
     10      14.6683      0.00000
     11      14.8689      0.00000
     12      15.0464      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.6323      2.00000
      2       1.4435      2.00000
      3       1.5923      2.00000
      4       2.6692      2.00000
      5       2.8545      2.00000
      6       3.5673      2.00000
      7       3.8139      2.00000
      8       7.2014      0.00000
      9      15.2762      0.00000
     10      15.6683      0.00000
     11      15.9126      0.00000
     12      16.1457      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.1470      2.00000
      2       1.9383      2.00000
      3       1.9604      2.00000
      4       2.0797      2.00000
      5       2.8585      2.00000
      6       2.8898      2.00000
      7       3.1667      2.00000
      8       6.9777      0.00002
      9      15.7683      0.00000
     10      16.3186      0.00000
     11      16.5168      0.00000
     12      16.8728      0.00000

 k-point   197 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.7210      2.00000
      2       3.4896      2.00000
      3       3.6116      2.00000
      4       4.2716      2.00000
      5       4.7910      1.99994
      6       5.9248      0.55481
      7       7.5421      0.00000
      8      10.8511      0.00000
      9      11.3414      0.00000
     10      11.3600      0.00000
     11      12.0658      0.00000
     12      12.2164      0.00000

 k-point   198 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.6713      2.00000
      2       3.4468      2.00000
      3       3.6408      2.00000
      4       3.6611      2.00000
      5       5.0458      1.99921
      6       6.3829      0.00784
      7       7.7216      0.00000
      8      10.6134      0.00000
      9      10.7430      0.00000
     10      11.1662      0.00000
     11      11.4038      0.00000
     12      11.9039      0.00000

 k-point   199 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5228      2.00000
      2       2.4999      2.00000
      3       3.7109      2.00000
      4       3.8091      2.00000
      5       5.2487      1.99399
      6       6.9558      0.00003
      7       8.4687      0.00000
      8       9.6119      0.00000
      9       9.7749      0.00000
     10      10.8840      0.00000
     11      11.1334      0.00000
     12      11.9001      0.00000

 k-point   200 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.2784      2.00000
      2       1.5096      2.00000
      3       3.9539      2.00000
      4       4.0545      2.00000
      5       5.4865      1.93696
      6       7.2496      0.00000
      7       8.6107      0.00000
      8       8.7394      0.00000
      9       9.7034      0.00000
     10      10.1999      0.00000
     11      11.3582      0.00000
     12      11.9425      0.00000

 k-point   201 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.9456      2.00000
      2       0.6024      2.00000
      3       4.2927      2.00000
      4       4.3936      2.00000
      5       5.7820      1.23110
      6       7.4524      0.00000
      7       7.7191      0.00000
      8       7.7993      0.00000
      9       9.3655      0.00000
     10      11.1715      0.00000
     11      11.6141      0.00000
     12      11.6792      0.00000

 k-point   202 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.5474      2.00000
      2      -0.1833      2.00000
      3       4.7117      1.99997
      4       4.8139      1.99992
      5       6.0894      0.13785
      6       6.9304      0.00003
      7       6.9766      0.00002
      8       7.6298      0.00000
      9       8.7395      0.00000
     10      11.0164      0.00000
     11      12.0658      0.00000
     12      12.6369      0.00000

 k-point   203 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.1808      2.00000
      2      -0.7448      2.00000
      3       5.1397      1.99797
      4       5.2439      1.99427
      5       6.1003      0.12449
      6       6.3451      0.01141
      7       6.5770      0.00113
      8       7.6864      0.00000
      9       8.3568      0.00000
     10      10.7790      0.00000
     11      12.4210      0.00000
     12      13.0870      0.00000

 k-point   204 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.5727      2.00000
      2       2.4583      2.00000
      3       3.7596      2.00000
      4       4.4187      2.00000
      5       4.9628      1.99965
      6       6.4311      0.00485
      7       8.4048      0.00000
      8       9.7311      0.00000
      9      10.3221      0.00000
     10      10.6275      0.00000
     11      12.0969      0.00000
     12      12.3006      0.00000

 k-point   205 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.5229      2.00000
      2       2.4961      2.00000
      3       3.7151      2.00000
      4       3.8090      2.00000
      5       5.2494      1.99394
      6       6.9592      0.00002
      7       8.4635      0.00000
      8       9.6122      0.00000
      9       9.7711      0.00000
     10      10.8819      0.00000
     11      11.1378      0.00000
     12      11.9039      0.00000

 k-point   206 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3741      2.00000
      2       2.4611      2.00000
      3       2.8751      2.00000
      4       3.9570      2.00000
      5       5.4631      1.94982
      6       7.9292      0.00000
      7       8.5217      0.00000
      8       8.8986      0.00000
      9       9.7600      0.00000
     10      10.1429      0.00000
     11      10.7852      0.00000
     12      11.6492      0.00000

 k-point   207 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.1291      2.00000
      2       1.6279      2.00000
      3       2.9575      2.00000
      4       4.2023      2.00000
      5       5.6709      1.65896
      6       7.6505      0.00000
      7       8.4289      0.00000
      8       8.8757      0.00000
      9       9.8363      0.00000
     10      10.2161      0.00000
     11      10.3431      0.00000
     12      11.6894      0.00000

 k-point   208 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.7952      2.00000
      2       0.7340      2.00000
      3       3.2742      2.00000
      4       4.5413      1.99999
      5       5.8548      0.87179
      6       6.8649      0.00006
      7       7.9436      0.00000
      8       8.5826      0.00000
      9       9.7919      0.00000
     10      10.5311      0.00000
     11      11.2260      0.00000
     12      11.9238      0.00000

 k-point   209 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.3947      2.00000
      2      -0.0498      2.00000
      3       3.6741      2.00000
      4       4.9614      1.99966
      5       5.6732      1.65229
      6       6.5739      0.00116
      7       7.1229      0.00000
      8       8.4722      0.00000
      9       9.5991      0.00000
     10      10.9206      0.00000
     11      11.7015      0.00000
     12      12.1437      0.00000

 k-point   210 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.0233      2.00000
      2      -0.6145      2.00000
      3       4.0686      2.00000
      4       5.1958      1.99645
      5       5.3909      1.97529
      6       6.4923      0.00263
      7       6.7089      0.00030
      8       8.2309      0.00000
      9       9.6467      0.00000
     10      11.2828      0.00000
     11      11.4930      0.00000
     12      12.3383      0.00000

 k-point   211 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.5284      2.00000
      2       2.4583      2.00000
      3       3.1833      2.00000
      4       4.4629      2.00000
      5       5.5564      1.87710
      6       6.5633      0.00129
      7       8.4132      0.00000
      8       9.1374      0.00000
      9      10.3376      0.00000
     10      11.1290      0.00000
     11      11.1760      0.00000
     12      12.1036      0.00000

 k-point   212 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.4785      2.00000
      2       2.5023      2.00000
      3       3.1771      2.00000
      4       3.8636      2.00000
      5       5.8620      0.83694
      6       7.0173      0.00001
      7       8.4693      0.00000
      8       9.1217      0.00000
      9       9.6948      0.00000
     10      10.5298      0.00000
     11      11.4532      0.00000
     12      12.3399      0.00000

 k-point   213 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3296      2.00000
      2       2.5075      2.00000
      3       2.7939      2.00000
      4       3.5119      2.00000
      5       6.1012      0.12345
      6       7.9629      0.00000
      7       8.5601      0.00000
      8       8.7595      0.00000
      9       9.0892      0.00000
     10       9.8934      0.00000
     11      11.4667      0.00000
     12      12.0945      0.00000

 k-point   214 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.0844      2.00000
      2       1.6644      2.00000
      3       2.9389      2.00000
      4       3.6903      2.00000
      5       6.3148      0.01543
      6       7.6519      0.00000
      7       8.1286      0.00000
      8       8.7157      0.00000
      9       9.4643      0.00000
     10      10.1703      0.00000
     11      10.9561      0.00000
     12      12.1495      0.00000

 k-point   215 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.7501      2.00000
      2       0.7728      2.00000
      3       3.2728      2.00000
      4       3.9857      2.00000
      5       6.3824      0.00787
      6       6.9374      0.00003
      7       7.4644      0.00000
      8       8.8634      0.00000
      9       9.8265      0.00000
     10      10.2744      0.00000
     11      11.5155      0.00000
     12      12.2993      0.00000

 k-point   216 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.3488      2.00000
      2      -0.0104      2.00000
      3       3.6902      2.00000
      4       4.3456      2.00000
      5       5.7951      1.16790
      6       6.5967      0.00093
      7       7.2322      0.00000
      8       8.9156      0.00000
      9       9.7475      0.00000
     10      10.2725      0.00000
     11      11.8794      0.00000
     12      12.6218      0.00000

 k-point   217 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.9759      2.00000
      2      -0.5763      2.00000
      3       4.1078      2.00000
      4       4.6965      1.99998
      5       5.1688      1.99729
      6       6.1514      0.07655
      7       7.4629      0.00000
      8       8.7111      0.00000
      9       9.6986      0.00000
     10      10.5890      0.00000
     11      11.4400      0.00000
     12      12.3497      0.00000

 k-point   218 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.3287      2.00000
      2       1.4631      2.00000
      3       4.0048      2.00000
      4       4.6627      1.99998
      5       5.2200      1.99548
      6       6.6979      0.00034
      7       8.6890      0.00000
      8       9.2995      0.00000
      9       9.6314      0.00000
     10       9.8490      0.00000
     11      11.7410      0.00000
     12      12.3130      0.00000

 k-point   219 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.2787      2.00000
      2       1.5064      2.00000
      3       3.9581      2.00000
      4       4.0542      2.00000
      5       5.4872      1.93658
      6       7.2543      0.00000
      7       8.6116      0.00000
      8       8.7361      0.00000
      9       9.6960      0.00000
     10      10.1985      0.00000
     11      11.3626      0.00000
     12      11.9463      0.00000

 k-point   220 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1293      2.00000
      2       1.6250      2.00000
      3       2.9609      2.00000
      4       4.2022      2.00000
      5       5.6709      1.65884
      6       7.6512      0.00000
      7       8.4340      0.00000
      8       8.8726      0.00000
      9       9.8293      0.00000
     10      10.2197      0.00000
     11      10.3426      0.00000
     12      11.6915      0.00000

 k-point   221 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.8831      2.00000
      2       1.6384      2.00000
      3       2.1898      2.00000
      4       4.4473      2.00000
      5       5.7711      1.28201
      6       6.8395      0.00008
      7       8.9690      0.00000
      8       9.3133      0.00000
      9       9.5374      0.00000
     10      10.0841      0.00000
     11      10.2926      0.00000
     12      11.5550      0.00000

 k-point   222 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.5471      2.00000
      2       0.9332      2.00000
      3       2.3068      2.00000
      4       4.7860      1.99994
      5       5.4704      1.94610
      6       6.5486      0.00150
      7       8.1771      0.00000
      8       9.3970      0.00000
      9       9.4904      0.00000
     10      10.4824      0.00000
     11      10.8726      0.00000
     12      12.0687      0.00000

 k-point   223 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.1424      2.00000
      2       0.1654      2.00000
      3       2.6708      2.00000
      4       4.8314      1.99991
      5       5.2058      1.99608
      6       6.7377      0.00023
      7       7.3635      0.00000
      8       8.9135      0.00000
      9       9.8766      0.00000
     10      10.8327      0.00000
     11      11.2167      0.00000
     12      12.2096      0.00000

 k-point   224 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.7622      2.00000
      2      -0.4033      2.00000
      3       3.0293      2.00000
      4       4.3073      2.00000
      5       5.6350      1.74889
      6       6.7347      0.00023
      7       6.9594      0.00002
      8       8.5517      0.00000
      9      10.2433      0.00000
     10      11.1047      0.00000
     11      11.4409      0.00000
     12      11.6399      0.00000

 k-point   225 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.2841      2.00000
      2       1.4950      2.00000
      3       3.3919      2.00000
      4       4.7068      1.99997
      5       5.8128      1.08128
      6       6.8097      0.00011
      7       8.1338      0.00000
      8       9.3393      0.00000
      9       9.7665      0.00000
     10      10.3101      0.00000
     11      11.3243      0.00000
     12      11.7712      0.00000

 k-point   226 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.2341      2.00000
      2       1.5392      2.00000
      3       3.4018      2.00000
      4       4.0884      2.00000
      5       6.1110      0.11257
      6       7.2669      0.00000
      7       8.1412      0.00000
      8       8.7698      0.00000
      9       9.7906      0.00000
     10      10.5772      0.00000
     11      10.7761      0.00000
     12      12.2301      0.00000

 k-point   227 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0846      2.00000
      2       1.6615      2.00000
      3       2.9420      2.00000
      4       3.6904      2.00000
      5       6.3148      0.01542
      6       7.6521      0.00000
      7       8.1292      0.00000
      8       8.7182      0.00000
      9       9.4648      0.00000
     10      10.1659      0.00000
     11      10.9548      0.00000
     12      12.1527      0.00000

 k-point   228 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.8383      2.00000
      2       1.6852      2.00000
      3       2.2024      2.00000
      4       3.8774      2.00000
      5       6.2921      0.01931
      6       7.0053      0.00002
      7       8.2582      0.00000
      8       8.8060      0.00000
      9       9.7388      0.00000
     10      10.4188      0.00000
     11      10.9019      0.00000
     12      11.8304      0.00000

 k-point   229 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.5019      2.00000
      2       0.9747      2.00000
      3       2.3351      2.00000
      4       4.1733      2.00000
      5       5.6692      1.66349
      6       7.0429      0.00001
      7       7.6252      0.00000
      8       8.9169      0.00000
      9       9.9632      0.00000
     10      10.7223      0.00000
     11      11.3419      0.00000
     12      12.0300      0.00000

 k-point   230 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.0965      2.00000
      2       0.2060      2.00000
      3       2.7065      2.00000
      4       4.4792      2.00000
      5       5.0119      1.99943
      6       6.8045      0.00012
      7       7.4458      0.00000
      8       9.1961      0.00000
      9       9.5755      0.00000
     10      10.8865      0.00000
     11      11.6494      0.00000
     12      11.9065      0.00000

 k-point   231 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.7149      2.00000
      2      -0.3639      2.00000
      3       3.0730      2.00000
      4       4.2918      2.00000
      5       4.9956      1.99952
      6       6.2990      0.01803
      7       7.7121      0.00000
      8       9.0543      0.00000
      9       9.6001      0.00000
     10      11.0543      0.00000
     11      11.2505      0.00000
     12      12.1526      0.00000

 k-point   232 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -3.1513      2.00000
      2       1.5590      2.00000
      3       2.5141      2.00000
      4       4.8388      1.99990
      5       6.3024      0.01744
      6       7.1281      0.00000
      7       7.7368      0.00000
      8       9.4461      0.00000
      9       9.8721      0.00000
     10      10.3131      0.00000
     11      10.8743      0.00000
     12      11.8468      0.00000

 k-point   233 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -3.1011      2.00000
      2       1.6072      2.00000
      3       2.5411      2.00000
      4       4.2107      2.00000
      5       6.8532      0.00007
      6       7.2065      0.00000
      7       7.8709      0.00000
      8       8.8551      0.00000
      9       9.5301      0.00000
     10      10.2069      0.00000
     11      11.4101      0.00000
     12      12.2888      0.00000

 k-point   234 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9513      2.00000
      2       1.7460      2.00000
      3       2.5492      2.00000
      4       3.3251      2.00000
      5       7.1589      0.00000
      6       7.3904      0.00000
      7       7.9013      0.00000
      8       8.5908      0.00000
      9       8.9379      0.00000
     10      10.3244      0.00000
     11      11.8865      0.00000
     12      12.8377      0.00000

 k-point   235 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7045      2.00000
      2       1.8253      2.00000
      3       2.1681      2.00000
      4       3.0911      2.00000
      5       6.6286      0.00067
      6       7.2800      0.00000
      7       7.7179      0.00000
      8       8.2310      0.00000
      9       9.9075      0.00000
     10      10.7011      0.00000
     11      11.9727      0.00000
     12      12.3348      0.00000

 k-point   236 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.3671      2.00000
      2       1.0956      2.00000
      3       2.3880      2.00000
      4       3.3130      2.00000
      5       5.7670      1.30063
      6       6.7014      0.00033
      7       7.9498      0.00000
      8       8.3434      0.00000
      9      10.4288      0.00000
     10      11.3370      0.00000
     11      11.5896      0.00000
     12      12.0468      0.00000

 k-point   237 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.9595      2.00000
      2       0.3262      2.00000
      3       2.7945      2.00000
      4       3.6259      2.00000
      5       4.9706      1.99963
      6       6.0678      0.16825
      7       8.3183      0.00000
      8       8.6194      0.00000
      9      10.4768      0.00000
     10      10.6746      0.00000
     11      11.3616      0.00000
     12      12.9184      0.00000

 k-point   238 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.5732      2.00000
      2      -0.2473      2.00000
      3       3.1998      2.00000
      4       3.9313      2.00000
      5       4.3239      2.00000
      6       5.6389      1.74021
      7       8.6192      0.00000
      8       8.9373      0.00000
      9       9.9310      0.00000
     10      10.5145      0.00000
     11      11.3278      0.00000
     12      13.0080      0.00000

 k-point   239 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.9966      2.00000
      2       0.5548      2.00000
      3       4.3438      2.00000
      4       5.0002      1.99950
      5       5.5687      1.86212
      6       6.8896      0.00005
      7       7.7481      0.00000
      8       8.3678      0.00000
      9       8.9262      0.00000
     10      10.9104      0.00000
     11      11.5593      0.00000
     12      12.6307      0.00000

 k-point   240 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.9462      2.00000
      2       0.5998      2.00000
      3       4.2966      2.00000
      4       4.3931      2.00000
      5       5.7822      1.22983
      6       7.4572      0.00000
      7       7.7204      0.00000
      8       7.7966      0.00000
      9       9.3654      0.00000
     10      11.1660      0.00000
     11      11.6144      0.00000
     12      11.6833      0.00000

 k-point   241 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.7956      2.00000
      2       0.7315      2.00000
      3       3.2776      2.00000
      4       4.5409      1.99999
      5       5.8549      0.87148
      6       6.8657      0.00006
      7       7.9411      0.00000
      8       8.5869      0.00000
      9       9.7924      0.00000
     10      10.5345      0.00000
     11      11.2216      0.00000
     12      11.9241      0.00000

 k-point   242 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.5474      2.00000
      2       0.9311      2.00000
      3       2.3094      2.00000
      4       4.7858      1.99994
      5       5.4708      1.94588
      6       6.5485      0.00150
      7       8.1748      0.00000
      8       9.3972      0.00000
      9       9.4931      0.00000
     10      10.4884      0.00000
     11      10.8712      0.00000
     12      12.0637      0.00000

 k-point   243 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.2076      2.00000
      2       1.0120      2.00000
      3       1.6247      2.00000
      4       4.7231      1.99997
      5       5.1242      1.99826
      6       6.7325      0.00024
      7       8.3748      0.00000
      8       8.6807      0.00000
      9       9.4845      0.00000
     10      10.4661      0.00000
     11      11.7375      0.00000
     12      12.0730      0.00000

 k-point   244 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.7956      2.00000
      2       0.4382      2.00000
      3       1.7683      2.00000
      4       4.0120      2.00000
      5       5.5438      1.89092
      6       7.0376      0.00001
      7       7.6886      0.00000
      8       8.9425      0.00000
      9       9.1220      0.00000
     10      10.4928      0.00000
     11      11.2708      0.00000
     12      12.2863      0.00000

 k-point   245 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.4004      2.00000
      2      -0.1247      2.00000
      3       2.0726      2.00000
      4       3.5031      2.00000
      5       5.9734      0.38204
      6       7.0647      0.00001
      7       7.3082      0.00000
      8       8.7593      0.00000
      9       9.3074      0.00000
     10      10.5893      0.00000
     11      10.6961      0.00000
     12      12.5669      0.00000

 k-point   246 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.9516      2.00000
      2       0.5921      2.00000
      3       3.7168      2.00000
      4       5.0443      1.99922
      5       6.1621      0.06910
      6       6.8025      0.00012
      7       7.4616      0.00000
      8       8.4104      0.00000
      9       9.4375      0.00000
     10      11.0210      0.00000
     11      11.5418      0.00000
     12      11.6399      0.00000

 k-point   247 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.9012      2.00000
      2       0.6374      2.00000
      3       3.7360      2.00000
      4       4.4053      2.00000
      5       6.4260      0.00510
      6       7.0221      0.00001
      7       7.5861      0.00000
      8       8.0481      0.00000
      9       9.8199      0.00000
     10      10.8558      0.00000
     11      11.2437      0.00000
     12      11.8654      0.00000

 k-point   248 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7506      2.00000
      2       0.7703      2.00000
      3       3.2759      2.00000
      4       3.9856      2.00000
      5       6.3829      0.00783
      6       6.9369      0.00003
      7       7.4635      0.00000
      8       8.8684      0.00000
      9       9.8291      0.00000
     10      10.2737      0.00000
     11      11.5084      0.00000
     12      12.3031      0.00000

 k-point   249 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.5022      2.00000
      2       0.9726      2.00000
      3       2.3377      2.00000
      4       4.1731      2.00000
      5       5.6697      1.66211
      6       7.0425      0.00001
      7       7.6236      0.00000
      8       8.9192      0.00000
      9       9.9654      0.00000
     10      10.7252      0.00000
     11      11.3399      0.00000
     12      12.0274      0.00000

 k-point   250 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.1622      2.00000
      2       1.0590      2.00000
      3       1.6550      2.00000
      4       4.3886      2.00000
      5       4.9461      1.99971
      6       7.3330      0.00000
      7       7.6778      0.00000
      8       8.2671      0.00000
      9      10.2433      0.00000
     10      10.9440      0.00000
     11      11.5273      0.00000
     12      11.7901      0.00000

 k-point   251 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.7497      2.00000
      2       0.4814      2.00000
      3       1.8069      2.00000
      4       4.0056      2.00000
      5       4.9847      1.99957
      6       7.0951      0.00001
      7       7.7286      0.00000
      8       8.3750      0.00000
      9       9.8018      0.00000
     10      10.7189      0.00000
     11      11.2292      0.00000
     12      12.3941      0.00000

 k-point   252 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.3532      2.00000
      2      -0.0835      2.00000
      3       2.1176      2.00000
      4       3.5155      2.00000
      5       5.3242      1.98724
      6       6.5666      0.00125
      7       8.0516      0.00000
      8       8.6495      0.00000
      9       9.2978      0.00000
     10      10.3754      0.00000
     11      11.3222      0.00000
     12      12.7056      0.00000

 k-point   253 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.8174      2.00000
      2       0.6986      2.00000
      3       2.7860      2.00000
      4       5.1761      1.99708
      5       6.0158      0.26776
      6       6.9568      0.00003
      7       7.9062      0.00000
      8       8.5365      0.00000
      9      10.1096      0.00000
     10      10.6111      0.00000
     11      11.3104      0.00000
     12      11.5706      0.00000

 k-point   254 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.7669      2.00000
      2       0.7451      2.00000
      3       2.8210      2.00000
      4       4.5199      2.00000
      5       6.1889      0.05326
      6       7.4098      0.00000
      7       7.7447      0.00000
      8       8.3560      0.00000
      9       9.9458      0.00000
     10      10.5990      0.00000
     11      11.4505      0.00000
     12      11.9633      0.00000

 k-point   255 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6161      2.00000
      2       0.8820      2.00000
      3       2.8760      2.00000
      4       3.5834      2.00000
      5       6.2627      0.02584
      6       6.9395      0.00003
      7       7.9512      0.00000
      8       8.9064      0.00000
      9       9.2105      0.00000
     10      11.1543      0.00000
     11      11.6604      0.00000
     12      12.3750      0.00000

 k-point   256 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.3673      2.00000
      2       1.0934      2.00000
      3       2.3904      2.00000
      4       3.3129      2.00000
      5       5.7673      1.29928
      6       6.6999      0.00033
      7       7.9515      0.00000
      8       8.3438      0.00000
      9      10.4348      0.00000
     10      11.3363      0.00000
     11      11.5860      0.00000
     12      12.0443      0.00000

 k-point   257 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.0266      2.00000
      2       1.1997      2.00000
      3       1.7363      2.00000
      4       3.5481      2.00000
      5       4.9711      1.99962
      6       6.6889      0.00037
      7       7.4225      0.00000
      8       8.5656      0.00000
      9      10.6631      0.00000
     10      11.3630      0.00000
     11      11.9605      0.00000
     12      11.9918      0.00000

 k-point   258 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.6123      2.00000
      2       0.6093      2.00000
      3       1.9193      2.00000
      4       3.7724      2.00000
      5       4.3492      2.00000
      6       6.2130      0.04212
      7       7.4882      0.00000
      8       8.8928      0.00000
      9       9.9949      0.00000
     10      11.0138      0.00000
     11      12.2469      0.00000
     12      12.5683      0.00000

 k-point   259 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.2118      2.00000
      2       0.0386      2.00000
      3       2.2513      2.00000
      4       3.5351      2.00000
      5       4.3596      2.00000
      6       5.7544      1.35688
      7       7.7009      0.00000
      8       9.2121      0.00000
      9       9.5096      0.00000
     10      10.6402      0.00000
     11      12.4916      0.00000
     12      12.8632      0.00000

 k-point   260 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.5968      2.00000
      2       0.8389      2.00000
      3       1.9340      2.00000
      4       5.2343      1.99479
      5       5.3941      1.97450
      6       7.2331      0.00000
      7       8.7344      0.00000
      8       9.0618      0.00000
      9       9.6840      0.00000
     10      10.4467      0.00000
     11      11.1627      0.00000
     12      12.0537      0.00000

 k-point   261 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.5462      2.00000
      2       0.8882      2.00000
      3       1.9722      2.00000
      4       4.6750      1.99998
      5       5.4087      1.97055
      6       7.8709      0.00000
      7       8.0690      0.00000
      8       9.0316      0.00000
      9       9.3210      0.00000
     10      11.0874      0.00000
     11      11.5490      0.00000
     12      12.2301      0.00000

 k-point   262 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3950      2.00000
      2       1.0346      2.00000
      3       2.0765      2.00000
      4       3.7135      2.00000
      5       5.4901      1.93472
      6       7.0631      0.00001
      7       8.1429      0.00000
      8       8.9867      0.00000
      9       9.6164      0.00000
     10      11.5008      0.00000
     11      12.0415      0.00000
     12      12.0521      0.00000

 k-point   263 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1454      2.00000
      2       1.2685      2.00000
      3       2.1477      2.00000
      4       2.8755      2.00000
      5       5.5404      1.89433
      6       6.1505      0.07728
      7       7.3084      0.00000
      8       9.5024      0.00000
      9      10.5057      0.00000
     10      10.9328      0.00000
     11      12.2705      0.00000
     12      12.6231      0.00000

 k-point   264 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.8031      2.00000
      2       1.4330      2.00000
      3       1.8039      2.00000
      4       2.7588      2.00000
      5       5.0421      1.99924
      6       5.7454      1.39531
      7       6.7349      0.00023
      8       9.6394      0.00000
      9      10.1253      0.00000
     10      12.0047      0.00000
     11      12.7287      0.00000
     12      12.7948      0.00000

 k-point   265 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.3856      2.00000
      2       0.8163      2.00000
      3       2.0817      2.00000
      4       3.0265      2.00000
      5       4.2783      2.00000
      6       5.3757      1.97874
      7       6.6598      0.00049
      8       9.1868      0.00000
      9      10.3333      0.00000
     10      12.1781      0.00000
     11      12.8394      0.00000
     12      13.4401      0.00000

 k-point   266 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.9775      2.00000
      2       0.2368      2.00000
      3       2.4679      2.00000
      4       3.3095      2.00000
      5       3.6524      2.00000
      6       5.0168      1.99941
      7       6.7820      0.00015
      8       8.8223      0.00000
      9      10.6540      0.00000
     10      11.7962      0.00000
     11      13.0826      0.00000
     12      13.7478      0.00000

 k-point   267 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.5994      2.00000
      2      -0.2305      2.00000
      3       4.7638      1.99995
      4       5.4197      1.96720
      5       5.9962      0.31643
      6       6.9255      0.00003
      7       7.0348      0.00001
      8       7.5499      0.00000
      9       8.1663      0.00000
     10      10.7258      0.00000
     11      13.0062      0.00000
     12      13.2738      0.00000

 k-point   268 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.5483      2.00000
      2      -0.1854      2.00000
      3       4.7155      1.99997
      4       4.8131      1.99992
      5       6.0893      0.13790
      6       6.9322      0.00003
      7       6.9745      0.00002
      8       7.6335      0.00000
      9       8.7416      0.00000
     10      11.0189      0.00000
     11      12.0696      0.00000
     12      12.6374      0.00000

 k-point   269 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.3954      2.00000
      2      -0.0517      2.00000
      3       3.6772      2.00000
      4       4.9606      1.99966
      5       5.6745      1.64864
      6       6.5736      0.00117
      7       7.1210      0.00000
      8       8.4736      0.00000
      9       9.6037      0.00000
     10      10.9236      0.00000
     11      11.7058      0.00000
     12      12.1452      0.00000

 k-point   270 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.1429      2.00000
      2       0.1637      2.00000
      3       2.6733      2.00000
      4       4.8325      1.99991
      5       5.2052      1.99610
      6       6.7371      0.00023
      7       7.3617      0.00000
      8       8.9132      0.00000
      9       9.8790      0.00000
     10      10.8396      0.00000
     11      11.2187      0.00000
     12      12.2109      0.00000

 k-point   271 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.7960      2.00000
      2       0.4369      2.00000
      3       1.7699      2.00000
      4       4.0125      2.00000
      5       5.5435      1.89125
      6       7.0372      0.00001
      7       7.6871      0.00000
      8       8.9442      0.00000
      9       9.1215      0.00000
     10      10.4940      0.00000
     11      11.2714      0.00000
     12      12.2937      0.00000

 k-point   272 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.3706      2.00000
      2       0.5911      2.00000
      3       1.1438      2.00000
      4       3.3085      2.00000
      5       5.9635      0.41361
      6       7.4054      0.00000
      7       7.9785      0.00000
      8       8.2293      0.00000
      9       9.1311      0.00000
     10       9.9788      0.00000
     11      10.4660      0.00000
     12      12.6564      0.00000

 k-point   273 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.9471      2.00000
      2       0.1842      2.00000
      3       1.2220      2.00000
      4       2.8350      2.00000
      5       6.3967      0.00683
      6       7.4579      0.00000
      7       7.7432      0.00000
      8       8.4862      0.00000
      9       8.8976      0.00000
     10       9.8115      0.00000
     11       9.8915      0.00000
     12      12.4952      0.00000

 k-point   274 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.5536      2.00000
      2      -0.1920      2.00000
      3       4.1192      2.00000
      4       5.4637      1.94952
      5       6.2104      0.04320
      6       6.6630      0.00048
      7       7.3844      0.00000
      8       7.5933      0.00000
      9       8.6241      0.00000
     10      10.8338      0.00000
     11      12.0266      0.00000
     12      12.8581      0.00000

 k-point   275 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.5025      2.00000
      2      -0.1467      2.00000
      3       4.1498      2.00000
      4       4.7912      1.99994
      5       6.2893      0.01986
      6       6.6987      0.00033
      7       7.1750      0.00000
      8       7.9505      0.00000
      9       9.0774      0.00000
     10      11.0083      0.00000
     11      11.4134      0.00000
     12      13.0614      0.00000

 k-point   276 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3496      2.00000
      2      -0.0124      2.00000
      3       3.6932      2.00000
      4       4.3451      2.00000
      5       5.7964      1.16183
      6       6.5952      0.00094
      7       7.2319      0.00000
      8       8.9182      0.00000
      9       9.7506      0.00000
     10      10.2754      0.00000
     11      11.8834      0.00000
     12      12.6316      0.00000

 k-point   277 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.0971      2.00000
      2       0.2043      2.00000
      3       2.7089      2.00000
      4       4.4790      2.00000
      5       5.0126      1.99943
      6       6.8030      0.00012
      7       7.4453      0.00000
      8       9.1977      0.00000
      9       9.5758      0.00000
     10      10.8929      0.00000
     11      11.6512      0.00000
     12      11.9081      0.00000

 k-point   278 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.7500      2.00000
      2       0.4800      2.00000
      3       1.8086      2.00000
      4       4.0060      2.00000
      5       4.9844      1.99957
      6       7.0938      0.00001
      7       7.7284      0.00000
      8       8.3764      0.00000
      9       9.8010      0.00000
     10      10.7199      0.00000
     11      11.2304      0.00000
     12      12.4012      0.00000

 k-point   279 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.3244      2.00000
      2       0.6382      2.00000
      3       1.1824      2.00000
      4       3.3252      2.00000
      5       5.3581      1.98214
      6       7.2823      0.00000
      7       7.7220      0.00000
      8       8.1220      0.00000
      9       9.9036      0.00000
     10       9.9384      0.00000
     11      10.7418      0.00000
     12      13.0777      0.00000

 k-point   280 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.8999      2.00000
      2       0.2282      2.00000
      3       1.2675      2.00000
      4       2.8531      2.00000
      5       5.7482      1.38347
      6       6.8775      0.00006
      7       7.8420      0.00000
      8       8.4718      0.00000
      9       9.3202      0.00000
     10       9.8327      0.00000
     11      10.5576      0.00000
     12      12.8712      0.00000

 k-point   281 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.4168      2.00000
      2      -0.0789      2.00000
      3       3.1624      2.00000
      4       5.3485      1.98376
      5       5.5953      1.82384
      6       7.2772      0.00000
      7       7.7225      0.00000
      8       8.1106      0.00000
      9       9.3696      0.00000
     10      10.9977      0.00000
     11      11.2118      0.00000
     12      12.4009      0.00000

 k-point   282 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.3656      2.00000
      2      -0.0328      2.00000
      3       3.2034      2.00000
      4       4.8646      1.99987
      5       5.4877      1.93624
      6       7.1025      0.00001
      7       7.8610      0.00000
      8       8.4284      0.00000
      9       9.8078      0.00000
     10      10.3016      0.00000
     11      11.4460      0.00000
     12      12.7226      0.00000

 k-point   283 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2127      2.00000
      2       0.1037      2.00000
      3       3.2952      2.00000
      4       3.9101      2.00000
      5       5.4464      1.95735
      6       6.3121      0.01583
      7       8.3173      0.00000
      8       9.3022      0.00000
      9       9.4024      0.00000
     10      10.4515      0.00000
     11      11.5765      0.00000
     12      12.3902      0.00000

 k-point   284 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.9601      2.00000
      2       0.3245      2.00000
      3       2.7968      2.00000
      4       3.6255      2.00000
      5       4.9713      1.99962
      6       6.0668      0.16980
      7       8.3202      0.00000
      8       8.6192      0.00000
      9      10.4776      0.00000
     10      10.6779      0.00000
     11      11.3650      0.00000
     12      12.9203      0.00000

 k-point   285 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.6126      2.00000
      2       0.6079      2.00000
      3       1.9210      2.00000
      4       3.7724      2.00000
      5       4.3494      2.00000
      6       6.2120      0.04254
      7       7.4896      0.00000
      8       8.8925      0.00000
      9       9.9952      0.00000
     10      11.0135      0.00000
     11      12.2487      0.00000
     12      12.5746      0.00000

 k-point   286 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.1861      2.00000
      2       0.7793      2.00000
      3       1.2957      2.00000
      4       3.3592      2.00000
      5       4.4411      2.00000
      6       6.2893      0.01984
      7       6.9080      0.00004
      8       9.0770      0.00000
      9       9.5636      0.00000
     10      11.1215      0.00000
     11      11.7774      0.00000
     12      13.9085      0.00000

 k-point   287 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.7588      2.00000
      2       0.3591      2.00000
      3       1.4033      2.00000
      4       2.9032      2.00000
      5       4.7741      1.99995
      6       5.9623      0.41765
      7       6.8868      0.00005
      8       8.8556      0.00000
      9       9.7345      0.00000
     10      10.8492      0.00000
     11      11.7421      0.00000
     12      13.7356      0.00000

 k-point   288 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.1913      2.00000
      2       0.0999      2.00000
      3       2.2499      2.00000
      4       4.5181      2.00000
      5       5.8131      1.07960
      6       7.5657      0.00000
      7       7.9337      0.00000
      8       9.1942      0.00000
      9      10.0338      0.00000
     10      10.0604      0.00000
     11      11.5668      0.00000
     12      12.2091      0.00000

 k-point   289 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.1401      2.00000
      2       0.1473      2.00000
      3       2.2940      2.00000
      4       4.4958      2.00000
      5       5.2405      1.99446
      6       7.3259      0.00000
      7       8.2809      0.00000
      8       9.4151      0.00000
      9       9.5026      0.00000
     10      10.4498      0.00000
     11      11.6997      0.00000
     12      12.1402      0.00000

 k-point   290 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9871      2.00000
      2       0.2880      2.00000
      3       2.4207      2.00000
      4       4.0147      2.00000
      5       4.7779      1.99995
      6       6.4038      0.00636
      7       8.4373      0.00000
      8       9.4203      0.00000
      9       9.8555      0.00000
     10      10.8961      0.00000
     11      11.3348      0.00000
     12      12.7091      0.00000

 k-point   291 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7341      2.00000
      2       0.5167      2.00000
      3       2.5703      2.00000
      4       3.1464      2.00000
      5       4.7102      1.99997
      6       5.6257      1.76860
      7       7.4928      0.00000
      8       9.7510      0.00000
      9      10.1305      0.00000
     10      11.1299      0.00000
     11      12.0348      0.00000
     12      13.5614      0.00000

 k-point   292 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.3860      2.00000
      2       0.8148      2.00000
      3       2.0833      2.00000
      4       3.0263      2.00000
      5       4.2785      2.00000
      6       5.3751      1.97887
      7       6.6611      0.00049
      8       9.1873      0.00000
      9      10.3330      0.00000
     10      12.1789      0.00000
     11      12.8450      0.00000
     12      13.4411      0.00000

 k-point   293 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.9575      2.00000
      2       1.0132      2.00000
      3       1.4734      2.00000
      4       3.2231      2.00000
      5       3.7624      2.00000
      6       5.3421      1.98477
      7       6.0844      0.14438
      8       8.6230      0.00000
      9      10.7069      0.00000
     10      12.4263      0.00000
     11      13.0034      0.00000
     12      14.1177      0.00000

 k-point   294 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.5249      2.00000
      2       0.5735      2.00000
      3       1.6270      2.00000
      4       2.9674      2.00000
      5       3.8441      2.00000
      6       5.0787      1.99890
      7       5.9649      0.40899
      8       8.2855      0.00000
      9      11.0711      0.00000
     10      12.1261      0.00000
     11      13.0414      0.00000
     12      14.6469      0.00000

 k-point   295 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.8832      2.00000
      2       0.3118      2.00000
      3       1.4471      2.00000
      4       3.7743      2.00000
      5       6.1128      0.11071
      6       7.8676      0.00000
      7       8.2141      0.00000
      8       9.2268      0.00000
      9       9.7906      0.00000
     10      10.9141      0.00000
     11      11.2189      0.00000
     12      11.5339      0.00000

 k-point   296 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.8319      2.00000
      2       0.3615      2.00000
      3       1.4918      2.00000
      4       3.7917      2.00000
      5       5.4921      1.93347
      6       7.5772      0.00000
      7       8.5446      0.00000
      8       8.6821      0.00000
      9      10.4637      0.00000
     10      10.9094      0.00000
     11      11.2523      0.00000
     12      11.7927      0.00000

 k-point   297 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6785      2.00000
      2       0.5099      2.00000
      3       1.6237      2.00000
      4       3.7920      2.00000
      5       4.5521      1.99999
      6       6.5750      0.00115
      7       7.6775      0.00000
      8       9.7877      0.00000
      9      10.2143      0.00000
     10      11.1606      0.00000
     11      11.9418      0.00000
     12      12.8716      0.00000

 k-point   298 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.4248      2.00000
      2       0.7533      2.00000
      3       1.8307      2.00000
      4       3.3038      2.00000
      5       4.1608      2.00000
      6       5.6037      1.80983
      7       6.7537      0.00019
      8       9.2982      0.00000
      9      11.1635      0.00000
     10      11.6630      0.00000
     11      12.9779      0.00000
     12      13.9417      0.00000

 k-point   299 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.0752      2.00000
      2       1.0791      2.00000
      3       2.0174      2.00000
      4       2.5563      2.00000
      5       4.1426      2.00000
      6       4.7947      1.99994
      7       5.9422      0.48781
      8       8.6095      0.00000
      9      11.6981      0.00000
     10      12.9467      0.00000
     11      13.6191      0.00000
     12      14.4157      0.00000

 k-point   300 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.6433      2.00000
      2       1.3371      2.00000
      3       1.6757      2.00000
      4       2.5822      2.00000
      5       3.7140      2.00000
      6       4.4754      2.00000
      7       5.3491      1.98367
      8       8.0773      0.00000
      9      12.1095      0.00000
     10      13.7253      0.00000
     11      14.2960      0.00000
     12      14.4192      0.00000

 k-point   301 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.2012      2.00000
      2       0.8617      2.00000
      3       1.9302      2.00000
      4       2.8625      2.00000
      5       3.1597      2.00000
      6       4.3000      2.00000
      7       5.1226      1.99829
      8       7.7773      0.00000
      9      12.4926      0.00000
     10      13.4708      0.00000
     11      14.3785      0.00000
     12      14.9491      0.00000

 k-point   302 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.2346      2.00000
      2      -0.7903      2.00000
      3       5.1936      1.99653
      4       5.8532      0.88002
      5       6.2942      0.01892
      6       6.4315      0.00482
      7       6.9167      0.00004
      8       7.0809      0.00001
      9       7.6016      0.00000
     10      10.5261      0.00000
     11      13.4419      0.00000
     12      13.5659      0.00000

 k-point   303 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.1820      2.00000
      2      -0.7463      2.00000
      3       5.1432      1.99790
      4       5.2427      1.99433
      5       6.1024      0.12201
      6       6.3435      0.01159
      7       6.5761      0.00114
      8       7.6884      0.00000
      9       8.3619      0.00000
     10      10.7817      0.00000
     11      12.4243      0.00000
     12      13.0903      0.00000

 k-point   304 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0245      2.00000
      2      -0.6159      2.00000
      3       4.0714      2.00000
      4       5.1978      1.99638
      5       5.3898      1.97556
      6       6.4909      0.00267
      7       6.7077      0.00031
      8       8.2315      0.00000
      9       9.6530      0.00000
     10      11.2855      0.00000
     11      11.4975      0.00000
     12      12.3377      0.00000

 k-point   305 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.7632      2.00000
      2      -0.4045      2.00000
      3       3.0314      2.00000
      4       4.3088      2.00000
      5       5.6340      1.75092
      6       6.7335      0.00024
      7       6.9584      0.00002
      8       8.5516      0.00000
      9      10.2453      0.00000
     10      11.1118      0.00000
     11      11.4431      0.00000
     12      11.6418      0.00000

 k-point   306 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.4011      2.00000
      2      -0.1257      2.00000
      3       2.0741      2.00000
      4       3.5040      2.00000
      5       5.9727      0.38418
      6       7.0637      0.00001
      7       7.3075      0.00000
      8       8.7590      0.00000
      9       9.3088      0.00000
     10      10.5907      0.00000
     11      10.6972      0.00000
     12      12.5723      0.00000

 k-point   307 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.9475      2.00000
      2       0.1835      2.00000
      3       1.2229      2.00000
      4       2.8354      2.00000
      5       6.3963      0.00685
      6       7.4573      0.00000
      7       7.7428      0.00000
      8       8.4870      0.00000
      9       8.8974      0.00000
     10       9.8122      0.00000
     11       9.8920      0.00000
     12      12.4958      0.00000

 k-point   308 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.4572      2.00000
      2       0.3798      2.00000
      3       0.5821      2.00000
      4       2.4090      2.00000
      5       6.8455      0.00008
      6       7.7803      0.00000
      7       7.8743      0.00000
      8       8.2067      0.00000
      9       8.9438      0.00000
     10       9.2011      0.00000
     11       9.3272      0.00000
     12      12.3527      0.00000

 k-point   309 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.1871      2.00000
      2      -0.7528      2.00000
      3       4.5150      2.00000
      4       5.6778      1.63893
      5       5.8971      0.67233
      6       6.9604      0.00002
      7       7.1617      0.00000
      8       7.4653      0.00000
      9       7.9035      0.00000
     10      10.6302      0.00000
     11      12.3889      0.00000
     12      13.4380      0.00000

 k-point   310 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.1345      2.00000
      2      -0.7087      2.00000
      3       4.5609      1.99999
      4       5.1773      1.99705
      5       5.6616      1.68435
      6       6.4239      0.00520
      7       7.2984      0.00000
      8       8.0795      0.00000
      9       8.4890      0.00000
     10      10.8436      0.00000
     11      11.6677      0.00000
     12      13.1606      0.00000

 k-point   311 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.9770      2.00000
      2      -0.5777      2.00000
      3       4.1106      2.00000
      4       4.6956      1.99998
      5       5.1702      1.99725
      6       6.1507      0.07707
      7       7.4618      0.00000
      8       8.7117      0.00000
      9       9.7048      0.00000
     10      10.5916      0.00000
     11      11.4441      0.00000
     12      12.3520      0.00000

 k-point   312 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.7158      2.00000
      2      -0.3652      2.00000
      3       3.0751      2.00000
      4       4.2932      2.00000
      5       4.9947      1.99952
      6       6.2980      0.01821
      7       7.7111      0.00000
      8       9.0541      0.00000
      9       9.6020      0.00000
     10      11.0588      0.00000
     11      11.2553      0.00000
     12      12.1548      0.00000

 k-point   313 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.3539      2.00000
      2      -0.0845      2.00000
      3       2.1191      2.00000
      4       3.5164      2.00000
      5       5.3235      1.98733
      6       6.5657      0.00126
      7       8.0508      0.00000
      8       8.6508      0.00000
      9       9.2974      0.00000
     10      10.3765      0.00000
     11      11.3235      0.00000
     12      12.7133      0.00000

 k-point   314 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.9003      2.00000
      2       0.2275      2.00000
      3       1.2684      2.00000
      4       2.8535      2.00000
      5       5.7478      1.38518
      6       6.8770      0.00006
      7       7.8428      0.00000
      8       8.4714      0.00000
      9       9.3201      0.00000
     10       9.8330      0.00000
     11      10.5583      0.00000
     12      12.8717      0.00000

 k-point   315 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.4099      2.00000
      2       0.4270      2.00000
      3       0.6279      2.00000
      4       2.4264      2.00000
      5       6.1991      0.04824
      6       7.0834      0.00001
      7       7.2412      0.00000
      8       8.8944      0.00000
      9       9.0809      0.00000
     10       9.7197      0.00000
     11       9.9661      0.00000
     12      12.6902      0.00000

 k-point   316 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -2.0450      2.00000
      2      -0.6422      2.00000
      3       3.5226      2.00000
      4       4.8174      1.99992
      5       6.0286      0.23939
      6       7.0905      0.00001
      7       7.6297      0.00000
      8       8.3201      0.00000
      9       8.7428      0.00000
     10      10.9887      0.00000
     11      11.3622      0.00000
     12      12.7327      0.00000

 k-point   317 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.9924      2.00000
      2      -0.5975      2.00000
      3       3.5711      2.00000
      4       4.7983      1.99993
      5       5.3643      1.98101
      6       6.5754      0.00115
      7       8.3631      0.00000
      8       8.5485      0.00000
      9       9.1122      0.00000
     10      10.6482      0.00000
     11      11.1047      0.00000
     12      12.3451      0.00000

 k-point   318 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8351      2.00000
      2      -0.4646      2.00000
      3       3.7106      2.00000
      4       4.2338      2.00000
      5       4.7759      1.99995
      6       5.8809      0.74649
      7       8.6851      0.00000
      8       9.5296      0.00000
      9       9.6669      0.00000
     10       9.9197      0.00000
     11      10.9978      0.00000
     12      12.2046      0.00000

 k-point   319 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.5742      2.00000
      2      -0.2486      2.00000
      3       3.2020      2.00000
      4       3.9307      2.00000
      5       4.3246      2.00000
      6       5.6384      1.74124
      7       8.6211      0.00000
      8       8.9364      0.00000
      9       9.9310      0.00000
     10      10.5166      0.00000
     11      11.3347      0.00000
     12      13.0129      0.00000

 k-point   320 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.2125      2.00000
      2       0.0376      2.00000
      3       2.2529      2.00000
      4       3.5359      2.00000
      5       4.3589      2.00000
      6       5.7537      1.35970
      7       7.7022      0.00000
      8       9.2117      0.00000
      9       9.5098      0.00000
     10      10.6402      0.00000
     11      12.4931      0.00000
     12      12.8711      0.00000

 k-point   321 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.7592      2.00000
      2       0.3585      2.00000
      3       1.4042      2.00000
      4       2.9036      2.00000
      5       4.7737      1.99995
      6       5.9618      0.41908
      7       6.8876      0.00005
      8       8.8559      0.00000
      9       9.7341      0.00000
     10      10.8490      0.00000
     11      11.7429      0.00000
     12      13.7364      0.00000

 k-point   322 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.2686      2.00000
      2       0.5682      2.00000
      3       0.7649      2.00000
      4       2.4765      2.00000
      5       5.2233      1.99533
      6       6.0885      0.13899
      7       6.2803      0.02169
      8       8.5216      0.00000
      9      10.1692      0.00000
     10      10.9498      0.00000
     11      11.1621      0.00000
     12      13.5052      0.00000

 k-point   323 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.8095      2.00000
      2      -0.4648      2.00000
      3       2.5712      2.00000
      4       4.0055      2.00000
      5       6.2465      0.03031
      6       7.3037      0.00000
      7       7.8735      0.00000
      8       9.0480      0.00000
      9       9.9300      0.00000
     10      10.4264      0.00000
     11      11.6369      0.00000
     12      11.7974      0.00000

 k-point   324 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.7570      2.00000
      2      -0.4189      2.00000
      3       2.6210      2.00000
      4       4.0184      2.00000
      5       5.5702      1.86025
      6       6.7739      0.00016
      7       8.6476      0.00000
      8       9.5655      0.00000
      9       9.7713      0.00000
     10      10.0154      0.00000
     11      11.1317      0.00000
     12      12.0705      0.00000

 k-point   325 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.5999      2.00000
      2      -0.2826      2.00000
      3       2.7688      2.00000
      4       4.0135      2.00000
      5       4.5402      1.99999
      6       5.9255      0.55176
      7       8.7134      0.00000
      8       9.9143      0.00000
      9      10.0576      0.00000
     10      10.3616      0.00000
     11      10.6757      0.00000
     12      12.5080      0.00000

 k-point   326 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.3394      2.00000
      2      -0.0604      2.00000
      3       3.0010      2.00000
      4       3.4263      2.00000
      5       4.0238      2.00000
      6       5.2478      1.99404
      7       7.7083      0.00000
      8       9.5112      0.00000
      9      10.3153      0.00000
     10      11.2517      0.00000
     11      11.6144      0.00000
     12      13.3137      0.00000

 k-point   327 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.9782      2.00000
      2       0.2358      2.00000
      3       2.4694      2.00000
      4       3.3092      2.00000
      5       3.6526      2.00000
      6       5.0165      1.99941
      7       6.7833      0.00014
      8       8.8232      0.00000
      9      10.6532      0.00000
     10      11.7962      0.00000
     11      13.0904      0.00000
     12      13.7496      0.00000

 k-point   328 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.5253      2.00000
      2       0.5727      2.00000
      3       1.6279      2.00000
      4       2.9677      2.00000
      5       3.8437      2.00000
      6       5.0783      1.99890
      7       5.9656      0.40662
      8       8.2858      0.00000
      9      11.0706      0.00000
     10      12.1258      0.00000
     11      13.0422      0.00000
     12      14.6549      0.00000

 k-point   329 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.0340      2.00000
      2       0.8024      2.00000
      3       0.9905      2.00000
      4       2.5515      2.00000
      5       4.2819      2.00000
      6       5.1395      1.99798
      7       5.3526      1.98309
      8       7.9794      0.00000
      9      11.5136      0.00000
     10      12.2834      0.00000
     11      12.4797      0.00000
     12      14.5590      0.00000

 k-point   330 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.4840      2.00000
      2      -0.2358      2.00000
      3       1.7007      2.00000
      4       3.2895      2.00000
      5       6.5474      0.00152
      6       7.5911      0.00000
      7       8.1923      0.00000
      8       9.4095      0.00000
      9       9.5865      0.00000
     10      10.9611      0.00000
     11      11.1761      0.00000
     12      11.3388      0.00000

 k-point   331 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.4317      2.00000
      2      -0.1882      2.00000
      3       1.7511      2.00000
      4       3.3112      2.00000
      5       5.8721      0.78806
      6       7.0254      0.00001
      7       8.8993      0.00000
      8       8.9773      0.00000
      9       9.9878      0.00000
     10      10.5786      0.00000
     11      11.4050      0.00000
     12      11.9237      0.00000

 k-point   332 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2749      2.00000
      2      -0.0464      2.00000
      3       1.9017      2.00000
      4       3.3665      2.00000
      5       4.8181      1.99992
      6       6.0918      0.13483
      7       7.8810      0.00000
      8       9.6446      0.00000
      9      10.3155      0.00000
     10      11.2139      0.00000
     11      11.6018      0.00000
     12      13.1213      0.00000

 k-point   333 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0148      2.00000
      2       0.1856      2.00000
      3       2.1490      2.00000
      4       3.3885      2.00000
      5       3.8309      2.00000
      6       5.2070      1.99603
      7       6.8712      0.00006
      8       8.9172      0.00000
      9      11.6371      0.00000
     10      11.8814      0.00000
     11      12.3961      0.00000
     12      13.7908      0.00000

 k-point   334 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.6542      2.00000
      2       0.4977      2.00000
      3       2.4681      2.00000
      4       2.7981      2.00000
      5       3.4500      2.00000
      6       4.5439      1.99999
      7       5.9428      0.48550
      8       8.2682      0.00000
      9      12.0727      0.00000
     10      13.0264      0.00000
     11      13.4198      0.00000
     12      14.8069      0.00000

 k-point   335 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.2016      2.00000
      2       0.8609      2.00000
      3       1.9311      2.00000
      4       2.8623      2.00000
      5       3.1597      2.00000
      6       4.2998      2.00000
      7       5.1233      1.99828
      8       7.7776      0.00000
      9      12.4921      0.00000
     10      13.4706      0.00000
     11      14.3796      0.00000
     12      14.9568      0.00000

 k-point   336 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.2915      2.00000
      2       1.1266      2.00000
      3       1.2988      2.00000
      4       2.6365      2.00000
      5       3.4212      2.00000
      6       4.2715      2.00000
      7       4.5044      2.00000
      8       7.5072      0.00000
      9      12.9323      0.00000
     10      13.6703      0.00000
     11      13.8589      0.00000
     12      15.7315      0.00000

 k-point   337 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -1.0793      2.00000
      2       0.0076      2.00000
      3       0.9323      2.00000
      4       2.7156      2.00000
      5       6.9196      0.00004
      6       7.9256      0.00000
      7       8.5828      0.00000
      8       8.8551      0.00000
      9       9.6030      0.00000
     10      10.2581      0.00000
     11      10.4827      0.00000
     12      12.7379      0.00000

 k-point   338 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -1.0270      2.00000
      2       0.0577      2.00000
      3       0.9831      2.00000
      4       2.7392      2.00000
      5       6.2479      0.02989
      6       7.2983      0.00000
      7       8.1873      0.00000
      8       9.3293      0.00000
      9       9.8182      0.00000
     10      10.4159      0.00000
     11      11.2462      0.00000
     12      12.8541      0.00000

 k-point   339 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8705      2.00000
      2       0.2074      2.00000
      3       1.1350      2.00000
      4       2.8063      2.00000
      5       5.1925      1.99657
      6       6.2869      0.02032
      7       7.1491      0.00000
      8       9.1356      0.00000
      9      10.6872      0.00000
     10      11.6330      0.00000
     11      12.5258      0.00000
     12      13.0245      0.00000

 k-point   340 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.6108      2.00000
      2       0.4539      2.00000
      3       1.3859      2.00000
      4       2.9010      2.00000
      5       4.1676      2.00000
      6       5.2995      1.99002
      7       6.1358      0.08897
      8       8.4474      0.00000
      9      12.1406      0.00000
     10      12.9582      0.00000
     11      13.2932      0.00000
     12      13.9100      0.00000

 k-point   341 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.2505      2.00000
      2       0.7903      2.00000
      3       1.7297      2.00000
      4       2.9418      2.00000
      5       3.2823      2.00000
      6       4.4130      2.00000
      7       5.2050      1.99611
      8       7.8479      0.00000
      9      13.4555      0.00000
     10      13.8071      0.00000
     11      14.1898      0.00000
     12      15.1912      0.00000

 k-point   342 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.2026      2.00000
      2       1.1955      2.00000
      3       2.1181      2.00000
      4       2.3571      2.00000
      5       3.0644      2.00000
      6       3.7320      2.00000
      7       4.3853      2.00000
      8       7.4021      0.00000
      9      13.9490      0.00000
     10      14.7939      0.00000
     11      15.3194      0.00000
     12      15.6258      0.00000

 k-point   343 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.7004      2.00000
      2       1.5313      2.00000
      3       1.6689      2.00000
      4       2.5893      2.00000
      5       2.7892      2.00000
      6       3.5019      2.00000
      7       3.7588      2.00000
      8       7.1612      0.00000
      9      14.3862      0.00000
     10      15.0593      0.00000
     11      15.2510      0.00000
     12      16.5798      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.182   5.261  -0.000  -0.000  -0.000
  5.261  22.403  -0.000  -0.000  -0.000
 -0.000  -0.000  -0.304  -0.000  -0.000
 -0.000  -0.000  -0.000  -0.304   0.000
 -0.000  -0.000  -0.000   0.000  -0.304
 total augmentation occupancy for first ion, spin component:           1
  1.012  -0.020   0.000   0.000   0.000
 -0.020   0.000   0.000   0.000   0.000
  0.000   0.000   0.082   0.000   0.000
  0.000   0.000   0.000   0.087   0.000
  0.000   0.000   0.000   0.000   0.087


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1837: real time    0.1837
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3407: real time    0.3407
    STRESS:  cpu time    4.1243: real time    4.1308
    FORCOR:  cpu time    0.0479: real time    0.0479
    FORHAR:  cpu time    0.0136: real time    0.0136
    MIXING:  cpu time    0.0058: real time    0.0058
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.10784    -0.10784    -0.10784
  Ewald     -70.62451   -72.27634   -70.63167     0.00000     0.00000    -0.00000
  Hartree     1.35873     0.81087     1.35709    -0.00000    -0.00000    -0.00000
  E(xc)     -27.03475   -26.99442   -27.03465     0.00000    -0.00000    -0.00000
  Local      -5.30207    -3.34945    -5.29918     0.00000    -0.00000    -0.00000
  n-local    58.34476    57.95293    58.34598     0.18446     0.18415     0.24107
  augment    -3.13541    -3.10169    -3.13532     0.00000     0.00000    -0.00000
  Kinetic    45.90314    44.82537    45.89388    -3.27530    -3.27101    -3.98317
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.59794    -2.24058    -0.61171     0.00000     0.00000    -0.00000
  in kB     -13.97768   -52.37645   -14.29945     0.00000     0.00000    -0.00000
  external pressure =      -26.88 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       68.54
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.228173747  0.000000000     0.000000000  0.236508729  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.228173747  4.026832140     0.248417074  0.236508729  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.384E-16 0.210E-15 -.319E-15   0.246E-15 0.555E-16 -.206E-15   -.325E-27 0.544E-25 0.725E-26   0.131E-15 -.279E-16 -.436E-17
   -.332E-14 -.328E-13 0.125E-13   -.598E-15 0.638E-15 0.853E-16   0.206E-25 0.751E-25 -.280E-24   -.997E-15 0.176E-15 -.874E-17
   -.436E-14 -.183E-14 -.987E-13   0.460E-15 -.938E-15 0.228E-15   -.642E-25 -.928E-25 -.690E-25   -.100E-14 -.138E-15 0.376E-16
   0.735E-15 -.236E-14 -.453E-14   -.642E-16 0.256E-15 -.429E-16   0.149E-24 -.240E-24 -.599E-24   0.108E-14 0.221E-15 0.177E-16
 -----------------------------------------------------------------------------------------------
   -.691E-14 -.368E-13 -.910E-13   0.436E-16 0.117E-16 0.645E-16   0.105E-24 -.204E-24 -.942E-24   -.786E-15 0.232E-15 0.421E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      2.01274      2.11409      0.00000         0.000000     -0.000000      0.000000
      2.01274      0.00000      2.01342        -0.000000      0.000000     -0.000000
      0.00000      2.11409      2.01342         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.49621624 eV

  energy  without entropy=      -13.45320398  energy(sigma->0) =      -13.47471011
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.1354388E-01-0.135E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.7245982E+01 0.725E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0557: real time    0.0557


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   2/ 13
  Displacement:        1/  2
  Total:               3/ 26
  LATTYP: Found a simple orthorhombic cell.
 ALAT       =     3.8254905333
 B/A-ratio  =     1.0522802671
 C/A-ratio  =     1.0526315789
  
  Lattice vectors:
  
 A1 = (   0.0000000000,  -3.8254905333,   0.0000000000)
 A2 = (  -4.0254882003,   0.0000000000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  -4.0268321403)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry D_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The dynamic configuration has the point symmetry D_2h.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.000000  0.000000  0.076923      2.000000
  0.076923  0.000000  0.076923      4.000000
  0.153846  0.000000  0.076923      4.000000
  0.230769  0.000000  0.076923      4.000000
  0.307692  0.000000  0.076923      4.000000
  0.384615  0.000000  0.076923      4.000000
  0.461538  0.000000  0.076923      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.076923  0.384615  0.076923      8.000000
  0.153846  0.384615  0.076923      8.000000
  0.230769  0.384615  0.076923      8.000000
  0.307692  0.384615  0.076923      8.000000
  0.384615  0.384615  0.076923      8.000000
  0.461538  0.384615  0.076923      8.000000
  0.000000  0.461538  0.076923      4.000000
  0.076923  0.461538  0.076923      8.000000
  0.153846  0.461538  0.076923      8.000000
  0.230769  0.461538  0.076923      8.000000
  0.307692  0.461538  0.076923      8.000000
  0.384615  0.461538  0.076923      8.000000
  0.461538  0.461538  0.076923      8.000000
  0.000000  0.000000  0.153846      2.000000
  0.076923  0.000000  0.153846      4.000000
  0.153846  0.000000  0.153846      4.000000
  0.230769  0.000000  0.153846      4.000000
  0.307692  0.000000  0.153846      4.000000
  0.384615  0.000000  0.153846      4.000000
  0.461538  0.000000  0.153846      4.000000
  0.000000  0.076923  0.153846      4.000000
  0.076923  0.076923  0.153846      8.000000
  0.153846  0.076923  0.153846      8.000000
  0.230769  0.076923  0.153846      8.000000
  0.307692  0.076923  0.153846      8.000000
  0.384615  0.076923  0.153846      8.000000
  0.461538  0.076923  0.153846      8.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      4.000000
  0.076923  0.230769  0.153846      8.000000
  0.153846  0.230769  0.153846      8.000000
  0.230769  0.230769  0.153846      8.000000
  0.307692  0.230769  0.153846      8.000000
  0.384615  0.230769  0.153846      8.000000
  0.461538  0.230769  0.153846      8.000000
  0.000000  0.307692  0.153846      4.000000
  0.076923  0.307692  0.153846      8.000000
  0.153846  0.307692  0.153846      8.000000
  0.230769  0.307692  0.153846      8.000000
  0.307692  0.307692  0.153846      8.000000
  0.384615  0.307692  0.153846      8.000000
  0.461538  0.307692  0.153846      8.000000
  0.000000  0.384615  0.153846      4.000000
  0.076923  0.384615  0.153846      8.000000
  0.153846  0.384615  0.153846      8.000000
  0.230769  0.384615  0.153846      8.000000
  0.307692  0.384615  0.153846      8.000000
  0.384615  0.384615  0.153846      8.000000
  0.461538  0.384615  0.153846      8.000000
  0.000000  0.461538  0.153846      4.000000
  0.076923  0.461538  0.153846      8.000000
  0.153846  0.461538  0.153846      8.000000
  0.230769  0.461538  0.153846      8.000000
  0.307692  0.461538  0.153846      8.000000
  0.384615  0.461538  0.153846      8.000000
  0.461538  0.461538  0.153846      8.000000
  0.000000  0.000000  0.230769      2.000000
  0.076923  0.000000  0.230769      4.000000
  0.153846  0.000000  0.230769      4.000000
  0.230769  0.000000  0.230769      4.000000
  0.307692  0.000000  0.230769      4.000000
  0.384615  0.000000  0.230769      4.000000
  0.461538  0.000000  0.230769      4.000000
  0.000000  0.076923  0.230769      4.000000
  0.076923  0.076923  0.230769      8.000000
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  0.076436  0.100540  0.057308      8.000000
  0.095545  0.100540  0.057308      8.000000
  0.114654  0.100540  0.057308      8.000000
  0.000000  0.120648  0.057308      4.000000
  0.019109  0.120648  0.057308      8.000000
  0.038218  0.120648  0.057308      8.000000
  0.057327  0.120648  0.057308      8.000000
  0.076436  0.120648  0.057308      8.000000
  0.095545  0.120648  0.057308      8.000000
  0.114654  0.120648  0.057308      8.000000
  0.000000  0.000000  0.076411      2.000000
  0.019109  0.000000  0.076411      4.000000
  0.038218  0.000000  0.076411      4.000000
  0.057327  0.000000  0.076411      4.000000
  0.076436  0.000000  0.076411      4.000000
  0.095545  0.000000  0.076411      4.000000
  0.114654  0.000000  0.076411      4.000000
  0.000000  0.020108  0.076411      4.000000
  0.019109  0.020108  0.076411      8.000000
  0.038218  0.020108  0.076411      8.000000
  0.057327  0.020108  0.076411      8.000000
  0.076436  0.020108  0.076411      8.000000
  0.095545  0.020108  0.076411      8.000000
  0.114654  0.020108  0.076411      8.000000
  0.000000  0.040216  0.076411      4.000000
  0.019109  0.040216  0.076411      8.000000
  0.038218  0.040216  0.076411      8.000000
  0.057327  0.040216  0.076411      8.000000
  0.076436  0.040216  0.076411      8.000000
  0.095545  0.040216  0.076411      8.000000
  0.114654  0.040216  0.076411      8.000000
  0.000000  0.060324  0.076411      4.000000
  0.019109  0.060324  0.076411      8.000000
  0.038218  0.060324  0.076411      8.000000
  0.057327  0.060324  0.076411      8.000000
  0.076436  0.060324  0.076411      8.000000
  0.095545  0.060324  0.076411      8.000000
  0.114654  0.060324  0.076411      8.000000
  0.000000  0.080432  0.076411      4.000000
  0.019109  0.080432  0.076411      8.000000
  0.038218  0.080432  0.076411      8.000000
  0.057327  0.080432  0.076411      8.000000
  0.076436  0.080432  0.076411      8.000000
  0.095545  0.080432  0.076411      8.000000
  0.114654  0.080432  0.076411      8.000000
  0.000000  0.100540  0.076411      4.000000
  0.019109  0.100540  0.076411      8.000000
  0.038218  0.100540  0.076411      8.000000
  0.057327  0.100540  0.076411      8.000000
  0.076436  0.100540  0.076411      8.000000
  0.095545  0.100540  0.076411      8.000000
  0.114654  0.100540  0.076411      8.000000
  0.000000  0.120648  0.076411      4.000000
  0.019109  0.120648  0.076411      8.000000
  0.038218  0.120648  0.076411      8.000000
  0.057327  0.120648  0.076411      8.000000
  0.076436  0.120648  0.076411      8.000000
  0.095545  0.120648  0.076411      8.000000
  0.114654  0.120648  0.076411      8.000000
  0.000000  0.000000  0.095513      2.000000
  0.019109  0.000000  0.095513      4.000000
  0.038218  0.000000  0.095513      4.000000
  0.057327  0.000000  0.095513      4.000000
  0.076436  0.000000  0.095513      4.000000
  0.095545  0.000000  0.095513      4.000000
  0.114654  0.000000  0.095513      4.000000
  0.000000  0.020108  0.095513      4.000000
  0.019109  0.020108  0.095513      8.000000
  0.038218  0.020108  0.095513      8.000000
  0.057327  0.020108  0.095513      8.000000
  0.076436  0.020108  0.095513      8.000000
  0.095545  0.020108  0.095513      8.000000
  0.114654  0.020108  0.095513      8.000000
  0.000000  0.040216  0.095513      4.000000
  0.019109  0.040216  0.095513      8.000000
  0.038218  0.040216  0.095513      8.000000
  0.057327  0.040216  0.095513      8.000000
  0.076436  0.040216  0.095513      8.000000
  0.095545  0.040216  0.095513      8.000000
  0.114654  0.040216  0.095513      8.000000
  0.000000  0.060324  0.095513      4.000000
  0.019109  0.060324  0.095513      8.000000
  0.038218  0.060324  0.095513      8.000000
  0.057327  0.060324  0.095513      8.000000
  0.076436  0.060324  0.095513      8.000000
  0.095545  0.060324  0.095513      8.000000
  0.114654  0.060324  0.095513      8.000000
  0.000000  0.080432  0.095513      4.000000
  0.019109  0.080432  0.095513      8.000000
  0.038218  0.080432  0.095513      8.000000
  0.057327  0.080432  0.095513      8.000000
  0.076436  0.080432  0.095513      8.000000
  0.095545  0.080432  0.095513      8.000000
  0.114654  0.080432  0.095513      8.000000
  0.000000  0.100540  0.095513      4.000000
  0.019109  0.100540  0.095513      8.000000
  0.038218  0.100540  0.095513      8.000000
  0.057327  0.100540  0.095513      8.000000
  0.076436  0.100540  0.095513      8.000000
  0.095545  0.100540  0.095513      8.000000
  0.114654  0.100540  0.095513      8.000000
  0.000000  0.120648  0.095513      4.000000
  0.019109  0.120648  0.095513      8.000000
  0.038218  0.120648  0.095513      8.000000
  0.057327  0.120648  0.095513      8.000000
  0.076436  0.120648  0.095513      8.000000
  0.095545  0.120648  0.095513      8.000000
  0.114654  0.120648  0.095513      8.000000
  0.000000  0.000000  0.114616      2.000000
  0.019109  0.000000  0.114616      4.000000
  0.038218  0.000000  0.114616      4.000000
  0.057327  0.000000  0.114616      4.000000
  0.076436  0.000000  0.114616      4.000000
  0.095545  0.000000  0.114616      4.000000
  0.114654  0.000000  0.114616      4.000000
  0.000000  0.020108  0.114616      4.000000
  0.019109  0.020108  0.114616      8.000000
  0.038218  0.020108  0.114616      8.000000
  0.057327  0.020108  0.114616      8.000000
  0.076436  0.020108  0.114616      8.000000
  0.095545  0.020108  0.114616      8.000000
  0.114654  0.020108  0.114616      8.000000
  0.000000  0.040216  0.114616      4.000000
  0.019109  0.040216  0.114616      8.000000
  0.038218  0.040216  0.114616      8.000000
  0.057327  0.040216  0.114616      8.000000
  0.076436  0.040216  0.114616      8.000000
  0.095545  0.040216  0.114616      8.000000
  0.114654  0.040216  0.114616      8.000000
  0.000000  0.060324  0.114616      4.000000
  0.019109  0.060324  0.114616      8.000000
  0.038218  0.060324  0.114616      8.000000
  0.057327  0.060324  0.114616      8.000000
  0.076436  0.060324  0.114616      8.000000
  0.095545  0.060324  0.114616      8.000000
  0.114654  0.060324  0.114616      8.000000
  0.000000  0.080432  0.114616      4.000000
  0.019109  0.080432  0.114616      8.000000
  0.038218  0.080432  0.114616      8.000000
  0.057327  0.080432  0.114616      8.000000
  0.076436  0.080432  0.114616      8.000000
  0.095545  0.080432  0.114616      8.000000
  0.114654  0.080432  0.114616      8.000000
  0.000000  0.100540  0.114616      4.000000
  0.019109  0.100540  0.114616      8.000000
  0.038218  0.100540  0.114616      8.000000
  0.057327  0.100540  0.114616      8.000000
  0.076436  0.100540  0.114616      8.000000
  0.095545  0.100540  0.114616      8.000000
  0.114654  0.100540  0.114616      8.000000
  0.000000  0.120648  0.114616      4.000000
  0.019109  0.120648  0.114616      8.000000
  0.038218  0.120648  0.114616      8.000000
  0.057327  0.120648  0.114616      8.000000
  0.076436  0.120648  0.114616      8.000000
  0.095545  0.120648  0.114616      8.000000
  0.114654  0.120648  0.114616      8.000000
 
    WAVPRE:  cpu time    0.4115: real time    0.6681
    FEWALD:  cpu time    0.0044: real time    0.0044
    GENKIN:  cpu time    0.1001: real time    0.1001
    ORTHCH:  cpu time    2.2227: real time    2.2228
     LOOP+:  cpu time  149.2092: real time  149.5801


--------------------------------------- Iteration      5(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0598: real time    0.0693
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   24.3364: real time   24.3486
       DOS:  cpu time    0.0159: real time    0.0159
    CHARGE:  cpu time    0.1693: real time    0.1693
    MIXING:  cpu time    0.0035: real time    0.0035
    --------------------------------------------
      LOOP:  cpu time   24.5880: real time   24.6097

 eigenvalue-minimisations  : 10052
 total energy-change (2. order) :-0.3882539E-01  (-0.3089590E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.0989919 magnetization 

 Broyden mixing:
  rms(total) = 0.12971E+00    rms(broyden)= 0.12971E+00
  rms(prec ) = 0.31698E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.62133476
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.58738643
  PAW double counting   =       396.86156987     -295.48836334
  entropy T*S    EENTRO =        -0.04038527
  eigenvalues    EBANDS =        26.32339565
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53505031 eV

  energy without entropy =      -13.49466505  energy(sigma->0) =      -13.51485768


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0530: real time    0.0533
    SETDIJ:  cpu time    0.0040: real time    0.0040
     EDDAV:  cpu time   25.2117: real time   25.2221
       DOS:  cpu time    0.0149: real time    0.0149
    CHARGE:  cpu time    0.1697: real time    0.1697
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   25.4578: real time   25.4685

 eigenvalue-minimisations  :  9888
 total energy-change (2. order) : 0.3731847E-01  (-0.1312704E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1006920 magnetization 

 Broyden mixing:
  rms(total) = 0.56694E-01    rms(broyden)= 0.56694E-01
  rms(prec ) = 0.15774E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1327
  1.1327

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.45430936
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.56024469
  PAW double counting   =       447.81236112     -346.45919302
  entropy T*S    EENTRO =        -0.04077878
  eigenvalues    EBANDS =        26.18697893
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49773184 eV

  energy without entropy =      -13.45695306  energy(sigma->0) =      -13.47734245


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0496: real time    0.0499
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   24.5864: real time   24.6020
       DOS:  cpu time    0.0132: real time    0.0132
    CHARGE:  cpu time    0.1713: real time    0.1713
    MIXING:  cpu time    0.0057: real time    0.0057
    --------------------------------------------
      LOOP:  cpu time   24.8297: real time   24.8456

 eigenvalue-minimisations  :  9700
 total energy-change (2. order) : 0.1362309E-01  (-0.3612939E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1021759 magnetization 

 Broyden mixing:
  rms(total) = 0.23112E-01    rms(broyden)= 0.23112E-01
  rms(prec ) = 0.43654E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6416
  1.2241  2.0592

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.31497386
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.52528241
  PAW double counting   =       476.63451179     -375.30277362
  entropy T*S    EENTRO =        -0.04121708
  eigenvalues    EBANDS =        26.04817247
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48410874 eV

  energy without entropy =      -13.44289166  energy(sigma->0) =      -13.46350020


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0542: real time    0.0546
    SETDIJ:  cpu time    0.0043: real time    0.0043
     EDDAV:  cpu time   25.2812: real time   25.2928
       DOS:  cpu time    0.0163: real time    0.0163
    CHARGE:  cpu time    0.1689: real time    0.1689
    MIXING:  cpu time    0.0055: real time    0.0055
    --------------------------------------------
      LOOP:  cpu time   25.5304: real time   25.5423

 eigenvalue-minimisations  :  9968
 total energy-change (2. order) : 0.6810944E-03  (-0.2306855E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1028380 magnetization 

 Broyden mixing:
  rms(total) = 0.12238E-01    rms(broyden)= 0.12238E-01
  rms(prec ) = 0.18422E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1935
  1.9832  1.2677  0.3296

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.28969939
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.50911539
  PAW double counting   =       477.83148340     -376.50877749
  entropy T*S    EENTRO =        -0.04122196
  eigenvalues    EBANDS =        26.01644922
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48342765 eV

  energy without entropy =      -13.44220569  energy(sigma->0) =      -13.46281667


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0526: real time    0.0530
    SETDIJ:  cpu time    0.0041: real time    0.0041
     EDDAV:  cpu time   25.4923: real time   25.5027
       DOS:  cpu time    0.0158: real time    0.0158
    CHARGE:  cpu time    0.1720: real time    0.1720
    MIXING:  cpu time    0.0055: real time    0.0055
    --------------------------------------------
      LOOP:  cpu time   25.7424: real time   25.7532

 eigenvalue-minimisations  : 10168
 total energy-change (2. order) : 0.1044330E-03  (-0.1156606E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1030788 magnetization 

 Broyden mixing:
  rms(total) = 0.80300E-02    rms(broyden)= 0.80300E-02
  rms(prec ) = 0.92326E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7082
  2.4434  1.1159  1.2956  1.9780

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.28456173
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.50125159
  PAW double counting   =       473.61658570     -372.29803509
  entropy T*S    EENTRO =        -0.04122232
  eigenvalues    EBANDS =        26.00770785
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48332322 eV

  energy without entropy =      -13.44210089  energy(sigma->0) =      -13.46271206


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0504: real time    0.0506
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   24.4950: real time   24.5088
       DOS:  cpu time    0.0154: real time    0.0154
    --------------------------------------------
      LOOP:  cpu time   24.5642: real time   24.5782

 eigenvalue-minimisations  :  9892
 total energy-change (2. order) : 0.8325003E-05  (-0.1428853E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1030788 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.28630192
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.49650437
  PAW double counting   =       466.83958104     -365.52335679
  entropy T*S    EENTRO =        -0.04122008
  eigenvalues    EBANDS =        26.00703327
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48331489 eV

  energy without entropy =      -13.44209481  energy(sigma->0) =      -13.46270485


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -23.7345       2 -73.7171       3 -73.6685       4 -73.7166
 
 
 
 E-fermi :   6.7179     XC(G=0):  -9.7443     alpha+bet :-14.2434


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4639      2.00000
      2       4.4486      2.00000
      3       4.4533      2.00000
      4       5.2504      2.00000
      5       5.6930      1.99993
      6       6.3973      1.92213
      7       8.0781      0.00000
      8      12.9429      0.00000
      9      12.9445      0.00000
     10      13.0078      0.00000
     11      13.4502      0.00000
     12      13.5843      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4150      2.00000
      2       3.7908      2.00000
      3       4.4974      2.00000
      4       5.2990      2.00000
      5       6.0453      1.99760
      6       6.7532      0.82528
      7       8.1966      0.00000
      8      11.7308      0.00000
      9      12.4398      0.00000
     10      12.6606      0.00000
     11      13.6319      0.00000
     12      13.9430      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2693      2.00000
      2       2.7738      2.00000
      3       4.6437      2.00000
      4       5.4443      1.99999
      5       6.2922      1.97207
      6       7.4323      0.00158
      7       8.7762      0.00000
      8      10.5920      0.00000
      9      11.3272      0.00000
     10      11.9921      0.00000
     11      13.6932      0.00000
     12      13.7728      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.0303      2.00000
      2       1.7874      2.00000
      3       4.8860      2.00000
      4       5.6852      1.99993
      5       6.5544      1.67369
      6       7.7478      0.00007
      7       9.5505      0.00000
      8       9.9802      0.00000
      9      10.2984      0.00000
     10      11.1935      0.00000
     11      13.2106      0.00000
     12      14.0011      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.7069      2.00000
      2       0.8906      2.00000
      3       5.2204      2.00000
      4       6.0181      1.99818
      5       6.8863      0.31333
      6       7.9139      0.00001
      7       8.6148      0.00000
      8       9.3711      0.00000
      9      10.3687      0.00000
     10      11.4688      0.00000
     11      12.8195      0.00000
     12      14.6558      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.3260      2.00000
      2       0.1234      2.00000
      3       5.6335      1.99996
      4       6.4306      1.89307
      5       7.2650      0.00839
      6       7.8004      0.00004
      7       8.0392      0.00000
      8       8.5613      0.00000
      9       9.6491      0.00000
     10      12.3148      0.00000
     11      13.2953      0.00000
     12      14.6334      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.9895      2.00000
      2      -0.4071      2.00000
      3       6.0504      1.99748
      4       6.8517      0.41594
      5       7.1826      0.01900
      6       7.5785      0.00037
      7       7.9413      0.00001
      8       8.1464      0.00000
      9       9.1184      0.00000
     10      12.2115      0.00000
     11      14.8908      0.00000
     12      14.9493      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.4087      2.00000
      2       4.5030      2.00000
      3       4.5056      2.00000
      4       4.5078      2.00000
      5       5.7514      1.99987
      6       6.8346      0.47498
      7       8.5136      0.00000
      8      12.3918      0.00000
      9      12.3953      0.00000
     10      12.9991      0.00000
     11      13.0666      0.00000
     12      13.1696      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3598      2.00000
      2       3.8316      2.00000
      3       4.5519      2.00000
      4       4.5815      2.00000
      5       6.1526      1.99301
      6       7.1786      0.01978
      7       8.5777      0.00000
      8      11.6688      0.00000
      9      11.7681      0.00000
     10      12.5372      0.00000
     11      12.8264      0.00000
     12      13.5323      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.2140      2.00000
      2       2.8208      2.00000
      3       4.6981      2.00000
      4       4.7274      2.00000
      5       6.4626      1.85561
      6       8.0029      0.00001
      7       8.9266      0.00000
      8      10.6440      0.00000
      9      10.6473      0.00000
     10      12.2451      0.00000
     11      12.6639      0.00000
     12      13.7773      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.9747      2.00000
      2       1.8368      2.00000
      3       4.9404      2.00000
      4       4.9677      2.00000
      5       6.7053      1.06296
      6       8.4215      0.00000
      7       9.6043      0.00000
      8       9.6267      0.00000
      9      10.0560      0.00000
     10      11.5522      0.00000
     11      12.8952      0.00000
     12      13.5460      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.6509      2.00000
      2       0.9407      2.00000
      3       5.2748      2.00000
      4       5.2974      2.00000
      5       6.9626      0.15934
      6       8.6119      0.00000
      7       8.6693      0.00000
      8       8.7767      0.00000
      9      10.7845      0.00000
     10      11.5725      0.00000
     11      13.0904      0.00000
     12      13.2103      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.2692      2.00000
      2       0.1733      2.00000
      3       5.6877      1.99993
      4       5.7001      1.99992
      5       7.1647      0.02268
      6       7.8552      0.00002
      7       8.0780      0.00000
      8       8.7552      0.00000
      9      10.2173      0.00000
     10      12.6075      0.00000
     11      13.2829      0.00000
     12      13.5808      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -1.9311      2.00000
      2      -0.3585      2.00000
      3       6.0978      1.99595
      4       6.1042      1.99569
      5       7.0581      0.06448
      6       7.2379      0.01098
      7       7.8036      0.00004
      8       8.8501      0.00000
      9       9.8365      0.00000
     10      12.4698      0.00000
     11      13.9049      0.00000
     12      14.7750      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2439      2.00000
      2       3.3803      2.00000
      3       4.6662      2.00000
      4       4.6710      2.00000
      5       5.9262      1.99927
      6       7.1507      0.02606
      7       9.7032      0.00000
      8      11.1890      0.00000
      9      11.1932      0.00000
     10      12.2177      0.00000
     11      13.1628      0.00000
     12      13.2882      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.1949      2.00000
      2       3.3974      2.00000
      3       4.0572      2.00000
      4       4.7151      2.00000
      5       6.3266      1.96085
      6       7.5152      0.00069
      7       9.7235      0.00000
      8      10.5738      0.00000
      9      11.2230      0.00000
     10      11.9968      0.00000
     11      12.5555      0.00000
     12      13.1327      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.0487      2.00000
      2       2.9276      2.00000
      3       3.6627      2.00000
      4       4.8613      2.00000
      5       6.6280      1.42179
      6       8.5548      0.00000
      7       9.5433      0.00000
      8       9.9064      0.00000
      9      10.7855      0.00000
     10      11.4330      0.00000
     11      12.3426      0.00000
     12      13.2536      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       1.9783      2.00000
      3       3.8645      2.00000
      4       5.1034      2.00000
      5       6.8039      0.59470
      6       8.6856      0.00000
      7       9.6399      0.00000
      8       9.7644      0.00000
      9      10.2478      0.00000
     10      11.6467      0.00000
     11      11.8546      0.00000
     12      13.4593      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.4836      2.00000
      2       1.0886      2.00000
      3       4.1796      2.00000
      4       5.4375      1.99999
      5       6.8417      0.44971
      6       8.0512      0.00000
      7       8.8320      0.00000
      8       9.7985      0.00000
      9      11.2917      0.00000
     10      11.7502      0.00000
     11      11.9638      0.00000
     12      13.5810      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.0992      2.00000
      2       0.3214      2.00000
      3       4.5667      2.00000
      4       5.8499      1.99966
      5       6.5175      1.76259
      6       7.8900      0.00002
      7       8.0191      0.00000
      8       9.6753      0.00000
      9      11.2077      0.00000
     10      12.3437      0.00000
     11      13.1523      0.00000
     12      13.4229      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.7563      2.00000
      2      -0.2142      2.00000
      3       4.9392      2.00000
      4       6.0693      1.99696
      5       6.2653      1.97860
      6       7.4033      0.00211
      7       7.9815      0.00001
      8       9.4970      0.00000
      9      11.1997      0.00000
     10      12.6859      0.00000
     11      13.2032      0.00000
     12      14.1899      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9725      2.00000
      2       2.2850      2.00000
      3       4.9372      2.00000
      4       4.9420      2.00000
      5       6.2157      1.98691
      6       7.3297      0.00440
      7      10.0452      0.00000
      8      10.0496      0.00000
      9      11.2369      0.00000
     10      11.2441      0.00000
     11      13.0499      0.00000
     12      13.4302      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9232      2.00000
      2       2.3246      2.00000
      3       4.3042      2.00000
      4       4.9860      2.00000
      5       6.5873      1.57386
      6       7.7040      0.00010
      7       9.4898      0.00000
      8      10.0921      0.00000
      9      11.2586      0.00000
     10      11.6709      0.00000
     11      12.2431      0.00000
     12      13.0762      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7764      2.00000
      2       2.4169      2.00000
      3       3.3434      2.00000
      4       5.1321      2.00000
      5       6.7933      0.64000
      6       8.5034      0.00000
      7       8.9355      0.00000
      8      10.2262      0.00000
      9      11.1083      0.00000
     10      11.2793      0.00000
     11      11.9797      0.00000
     12      13.0605      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.5350      2.00000
      2       2.1398      2.00000
      3       2.8667      2.00000
      4       5.3740      2.00000
      5       6.7093      1.04313
      6       7.9985      0.00001
      7      10.0111      0.00000
      8      10.1806      0.00000
      9      10.5180      0.00000
     10      11.1374      0.00000
     11      12.0552      0.00000
     12      13.1133      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.2074      2.00000
      2       1.3207      2.00000
      3       3.1010      2.00000
      4       5.7077      1.99992
      5       6.2254      1.98558
      6       7.9034      0.00001
      7       9.0998      0.00000
      8      10.6585      0.00000
      9      10.8178      0.00000
     10      11.6574      0.00000
     11      12.2639      0.00000
     12      13.3191      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.8181      2.00000
      2       0.5614      2.00000
      3       3.4616      2.00000
      4       5.5954      1.99997
      5       6.1193      1.99499
      6       8.0803      0.00000
      7       8.2901      0.00000
      8      10.2215      0.00000
      9      11.2018      0.00000
     10      12.5514      0.00000
     11      12.7131      0.00000
     12      13.5651      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.4663      2.00000
      2       0.0206      2.00000
      3       3.8035      2.00000
      4       5.0990      2.00000
      5       6.5329      1.72842
      6       7.6767      0.00014
      7       8.2673      0.00000
      8       9.9023      0.00000
      9      11.5548      0.00000
     10      12.7549      0.00000
     11      13.0114      0.00000
     12      13.1819      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6022      2.00000
      2       1.2818      2.00000
      3       5.3132      2.00000
      4       5.3179      2.00000
      5       6.6163      1.46868
      6       7.4782      0.00100
      7       9.0082      0.00000
      8       9.0126      0.00000
      9      10.2828      0.00000
     10      12.4536      0.00000
     11      13.0448      0.00000
     12      13.7881      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.5525      2.00000
      2       1.3250      2.00000
      3       4.6711      2.00000
      4       5.3620      2.00000
      5       6.9070      0.26227
      6       7.8568      0.00002
      7       8.5659      0.00000
      8       9.0564      0.00000
      9      10.7356      0.00000
     10      12.6045      0.00000
     11      12.6504      0.00000
     12      12.9240      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4043      2.00000
      2       1.4500      2.00000
      3       3.6691      2.00000
      4       5.5078      1.99999
      5       6.7769      0.71352
      6       7.9546      0.00001
      7       9.0530      0.00000
      8       9.2001      0.00000
      9      11.2921      0.00000
     10      11.4630      0.00000
     11      12.5723      0.00000
     12      13.2743      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.1605      2.00000
      2       1.6260      2.00000
      3       2.7291      2.00000
      4       5.7493      1.99988
      5       6.1483      1.99331
      6       7.9245      0.00001
      7       9.4330      0.00000
      8      10.2689      0.00000
      9      10.4279      0.00000
     10      11.5785      0.00000
     11      12.2896      0.00000
     12      13.7819      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.8286      2.00000
      2       1.5285      2.00000
      3       2.2266      2.00000
      4       5.3923      2.00000
      5       6.0825      1.99653
      6       8.1304      0.00000
      7       9.4457      0.00000
      8       9.8079      0.00000
      9      10.8560      0.00000
     10      11.7091      0.00000
     11      12.7740      0.00000
     12      13.9552      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.4312      2.00000
      2       0.8727      2.00000
      3       2.4572      2.00000
      4       4.7024      2.00000
      5       6.4930      1.80916
      6       8.4160      0.00000
      7       8.6620      0.00000
      8      10.1720      0.00000
      9      10.5098      0.00000
     10      12.0515      0.00000
     11      12.5169      0.00000
     12      13.9468      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.0640      2.00000
      2       0.3320      2.00000
      3       2.7521      2.00000
      4       4.2158      2.00000
      5       6.9046      0.26795
      6       8.0525      0.00000
      7       8.6603      0.00000
      8      10.1686      0.00000
      9      10.5315      0.00000
     10      11.9541      0.00000
     11      12.2378      0.00000
     12      14.1841      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.1565      2.00000
      2       0.4097      2.00000
      3       5.7841      1.99982
      4       5.7888      1.99982
      5       7.1191      0.03556
      6       7.5999      0.00030
      7       8.0949      0.00000
      8       8.0994      0.00000
      9       9.3909      0.00000
     10      12.1352      0.00000
     11      14.1994      0.00000
     12      14.8132      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.1060      2.00000
      2       0.4535      2.00000
      3       5.1285      2.00000
      4       5.8327      1.99971
      5       7.0486      0.07070
      6       7.8662      0.00002
      7       8.1436      0.00000
      8       8.1477      0.00000
      9       9.8746      0.00000
     10      12.2930      0.00000
     11      13.0460      0.00000
     12      14.0303      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.9552      2.00000
      2       0.5827      2.00000
      3       4.1058      2.00000
      4       5.9782      1.99878
      5       6.2813      1.97492
      6       7.9701      0.00001
      7       8.2891      0.00000
      8       9.1915      0.00000
      9      10.6628      0.00000
     10      11.9091      0.00000
     11      12.7214      0.00000
     12      13.5466      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.7065      2.00000
      2       0.7896      2.00000
      3       3.1157      2.00000
      4       5.4182      2.00000
      5       6.2191      1.98646
      6       8.1829      0.00000
      7       8.5286      0.00000
      8      10.0843      0.00000
      9      10.8727      0.00000
     10      11.5943      0.00000
     11      12.5506      0.00000
     12      13.3389      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.3664      2.00000
      2       1.0444      2.00000
      3       2.2339      2.00000
      4       4.6128      2.00000
      5       6.5513      1.68206
      6       8.4831      0.00000
      7       8.8535      0.00000
      8       9.9455      0.00000
      9      10.5168      0.00000
     10      11.9119      0.00000
     11      12.4072      0.00000
     12      12.9136      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.9541      2.00000
      2       1.1132      2.00000
      3       1.6963      2.00000
      4       3.9285      2.00000
      5       6.9609      0.16192
      6       8.8382      0.00000
      7       9.0854      0.00000
      8       9.2996      0.00000
      9      10.5653      0.00000
     10      11.5000      0.00000
     11      11.6083      0.00000
     12      13.9482      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.5584      2.00000
      2       0.6819      2.00000
      3       1.8121      2.00000
      4       3.4750      2.00000
      5       7.3715      0.00290
      6       8.5117      0.00000
      7       9.1529      0.00000
      8       9.6293      0.00000
      9      10.3450      0.00000
     10      11.0393      0.00000
     11      11.3821      0.00000
     12      13.9597      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.7391      2.00000
      2      -0.2219      2.00000
      3       6.2855      1.97385
      4       6.2903      1.97260
      5       7.3719      0.00288
      6       7.3764      0.00276
      7       7.6709      0.00015
      8       7.6763      0.00014
      9       8.6362      0.00000
     10      11.9376      0.00000
     11      14.5417      0.00000
     12      14.8584      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6869      2.00000
      2      -0.1794      2.00000
      3       5.6024      1.99997
      4       6.3338      1.95795
      5       6.6371      1.38351
      6       7.4211      0.00177
      7       7.9709      0.00001
      8       8.3729      0.00000
      9       9.1546      0.00000
     10      12.0847      0.00000
     11      13.4694      0.00000
     12      14.5297      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.5304      2.00000
      2      -0.0536      2.00000
      3       4.5469      2.00000
      4       5.7122      1.99991
      5       6.4784      1.83287
      6       7.5678      0.00041
      7       8.1930      0.00000
      8       9.2237      0.00000
      9      10.2869      0.00000
     10      12.3435      0.00000
     11      12.5429      0.00000
     12      13.7239      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2714      2.00000
      2       0.1497      2.00000
      3       3.5188      2.00000
      4       4.8325      2.00000
      5       6.7181      0.99925
      6       7.8096      0.00004
      7       8.4624      0.00000
      8       9.7858      0.00000
      9      11.3145      0.00000
     10      11.6834      0.00000
     11      12.6747      0.00000
     12      12.8683      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.9135      2.00000
      2       0.4163      2.00000
      3       2.5719      2.00000
      4       4.0451      2.00000
      5       7.0491      0.07034
      6       8.1393      0.00000
      7       8.8164      0.00000
      8      10.1157      0.00000
      9      10.3903      0.00000
     10      11.7343      0.00000
     11      12.0758      0.00000
     12      13.2091      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.4685      2.00000
      2       0.7086      2.00000
      3       1.7328      2.00000
      4       3.3986      2.00000
      5       7.4589      0.00121
      6       8.5341      0.00000
      7       9.2502      0.00000
      8       9.5850      0.00000
      9      10.3031      0.00000
     10      10.9307      0.00000
     11      11.3165      0.00000
     12      13.8521      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.0031      2.00000
      2       0.9003      2.00000
      3       1.1043      2.00000
      4       2.9936      2.00000
      5       7.8759      0.00002
      6       8.8891      0.00000
      7       8.9781      0.00000
      8       9.7028      0.00000
      9      10.3629      0.00000
     10      10.3846      0.00000
     11      10.7011      0.00000
     12      13.7948      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3598      2.00000
      2       3.8274      2.00000
      3       4.5566      2.00000
      4       4.5816      2.00000
      5       6.1555      1.99281
      6       7.1752      0.02044
      7       8.5773      0.00000
      8      11.6651      0.00000
      9      11.7680      0.00000
     10      12.5412      0.00000
     11      12.8285      0.00000
     12      13.5360      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3108      2.00000
      2       3.7495      2.00000
      3       4.0217      2.00000
      4       4.6818      2.00000
      5       6.6949      1.11480
      6       7.3436      0.00383
      7       8.6312      0.00000
      8      11.0501      0.00000
      9      11.5983      0.00000
     10      12.0115      0.00000
     11      13.1303      0.00000
     12      13.9868      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.1649      2.00000
      2       2.8505      2.00000
      3       4.0679      2.00000
      4       4.8240      2.00000
      5       7.1250      0.03355
      6       8.0419      0.00000
      7       8.9304      0.00000
      8      10.0747      0.00000
      9      10.7605      0.00000
     10      11.9868      0.00000
     11      12.7662      0.00000
     12      14.1340      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.9254      2.00000
      2       1.8764      2.00000
      3       4.3020      2.00000
      4       5.0534      2.00000
      5       7.3810      0.00264
      6       8.3307      0.00000
      7       9.1515      0.00000
      8       9.7246      0.00000
      9      10.1929      0.00000
     10      11.9852      0.00000
     11      12.2280      0.00000
     12      13.6960      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.6011      2.00000
      2       0.9830      2.00000
      3       4.6299      2.00000
      4       5.3650      2.00000
      5       7.6362      0.00021
      6       7.8995      0.00001
      7       8.7758      0.00000
      8       9.1268      0.00000
      9      11.2072      0.00000
     10      11.5772      0.00000
     11      12.4654      0.00000
     12      13.2901      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.2184      2.00000
      2       0.2159      2.00000
      3       5.0297      2.00000
      4       5.7402      1.99989
      5       7.1753      0.02044
      6       7.7086      0.00010
      7       8.4477      0.00000
      8       9.1013      0.00000
      9      10.5154      0.00000
     10      12.6103      0.00000
     11      12.8172      0.00000
     12      13.4922      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -1.8787      2.00000
      2      -0.3171      2.00000
      3       5.4126      2.00000
      4       6.1220      1.99485
      5       6.5606      1.65648
      6       7.4008      0.00216
      7       8.5170      0.00000
      8       9.2711      0.00000
      9       9.9630      0.00000
     10      12.5288      0.00000
     11      13.1717      0.00000
     12      14.6685      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1949      2.00000
      2       3.3970      2.00000
      3       4.0535      2.00000
      4       4.7198      2.00000
      5       6.3292      1.95981
      6       7.5118      0.00071
      7       9.7234      0.00000
      8      10.5702      0.00000
      9      11.2271      0.00000
     10      11.9968      0.00000
     11      12.5583      0.00000
     12      13.1340      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1458      2.00000
      2       3.4271      2.00000
      3       3.9183      2.00000
      4       4.3118      2.00000
      5       6.8603      0.38808
      6       7.7083      0.00010
      7       9.7334      0.00000
      8      10.4582      0.00000
      9      10.7152      0.00000
     10      11.4460      0.00000
     11      13.0277      0.00000
     12      13.4563      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9995      2.00000
      2       2.9683      2.00000
      3       3.6450      2.00000
      4       4.3310      2.00000
      5       7.2937      0.00630
      6       8.5994      0.00000
      7       9.5876      0.00000
      8       9.6940      0.00000
      9      10.3528      0.00000
     10      11.0515      0.00000
     11      12.9446      0.00000
     12      13.7229      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.7593      2.00000
      2       2.0201      2.00000
      3       3.8693      2.00000
      4       4.5376      2.00000
      5       7.4550      0.00126
      6       8.6929      0.00000
      7       9.1127      0.00000
      8       9.8217      0.00000
      9      10.3614      0.00000
     10      11.1905      0.00000
     11      12.3882      0.00000
     12      13.9881      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.4337      2.00000
      2       1.1319      2.00000
      3       4.1985      2.00000
      4       4.8302      2.00000
      5       7.2860      0.00680
      6       8.0744      0.00000
      7       8.5409      0.00000
      8      10.1517      0.00000
      9      11.1716      0.00000
     10      11.6036      0.00000
     11      12.0951      0.00000
     12      13.9785      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.0484      2.00000
      2       0.3647      2.00000
      3       4.6003      2.00000
      4       5.1818      2.00000
      5       6.6752      1.21057
      6       7.5186      0.00067
      7       8.5419      0.00000
      8      10.1346      0.00000
      9      11.3480      0.00000
     10      11.6728      0.00000
     11      13.3650      0.00000
     12      13.5109      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.7039      2.00000
      2      -0.1721      2.00000
      3       4.9793      2.00000
      4       5.5496      1.99998
      5       6.0553      1.99735
      6       7.0859      0.04924
      7       8.7314      0.00000
      8       9.9808      0.00000
      9      11.2599      0.00000
     10      12.0124      0.00000
     11      13.0600      0.00000
     12      13.8814      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9233      2.00000
      2       2.3245      2.00000
      3       4.3001      2.00000
      4       4.9907      2.00000
      5       6.5903      1.56380
      6       7.7002      0.00011
      7       9.4864      0.00000
      8      10.0964      0.00000
      9      11.2588      0.00000
     10      11.6721      0.00000
     11      12.2430      0.00000
     12      13.0755      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.8740      2.00000
      2       2.3652      2.00000
      3       4.1987      2.00000
      4       4.5292      2.00000
      5       7.1283      0.03250
      6       7.8675      0.00002
      7       9.3546      0.00000
      8       9.7707      0.00000
      9      11.1417      0.00000
     10      11.7387      0.00000
     11      12.1205      0.00000
     12      13.4905      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7270      2.00000
      2       2.4626      2.00000
      3       3.3597      2.00000
      4       4.5490      2.00000
      5       7.4333      0.00156
      6       8.5682      0.00000
      7       8.8695      0.00000
      8       9.8046      0.00000
      9      10.4374      0.00000
     10      11.5846      0.00000
     11      12.5957      0.00000
     12      13.4402      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.4855      2.00000
      2       2.1888      2.00000
      3       2.8941      2.00000
      4       4.7585      2.00000
      5       7.1349      0.03044
      6       8.3063      0.00000
      7       9.3309      0.00000
      8       9.8004      0.00000
      9      10.5404      0.00000
     10      11.5724      0.00000
     11      12.5576      0.00000
     12      13.4204      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.1574      2.00000
      2       1.3662      2.00000
      3       3.1382      2.00000
      4       5.0410      2.00000
      5       6.4669      1.84975
      6       8.3184      0.00000
      7       8.6637      0.00000
      8      10.1812      0.00000
      9      11.2499      0.00000
     10      11.9061      0.00000
     11      12.5148      0.00000
     12      13.4981      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.7674      2.00000
      2       0.6061      2.00000
      3       3.5039      2.00000
      4       5.2811      2.00000
      5       5.8924      1.99948
      6       7.7539      0.00006
      7       8.7781      0.00000
      8      10.4893      0.00000
      9      10.8969      0.00000
     10      12.5570      0.00000
     11      13.0235      0.00000
     12      13.2985      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.4140      2.00000
      2       0.0639      2.00000
      3       3.8510      2.00000
      4       5.0741      2.00000
      5       5.9058      1.99941
      6       7.2530      0.00944
      7       9.0177      0.00000
      8      10.4015      0.00000
      9      10.9285      0.00000
     10      12.4591      0.00000
     11      12.8555      0.00000
     12      13.8687      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5525      2.00000
      2       1.3250      2.00000
      3       4.6669      2.00000
      4       5.3666      2.00000
      5       6.9104      0.25468
      6       7.8518      0.00002
      7       8.5637      0.00000
      8       9.0608      0.00000
      9      10.7359      0.00000
     10      12.6043      0.00000
     11      12.6489      0.00000
     12      12.9245      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5029      2.00000
      2       1.3685      2.00000
      3       4.5893      2.00000
      4       4.8608      2.00000
      5       7.4482      0.00135
      6       7.8929      0.00002
      7       8.3953      0.00000
      8       8.9801      0.00000
      9      11.1622      0.00000
     10      11.7957      0.00000
     11      12.8413      0.00000
     12      13.2209      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3546      2.00000
      2       1.4948      2.00000
      3       3.6975      2.00000
      4       4.8867      2.00000
      5       7.1638      0.02290
      6       8.2684      0.00000
      7       8.4772      0.00000
      8       9.4584      0.00000
      9      10.7936      0.00000
     10      11.7850      0.00000
     11      13.0634      0.00000
     12      13.4132      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.1107      2.00000
      2       1.6741      2.00000
      3       2.7644      2.00000
      4       5.0748      2.00000
      5       6.3902      1.92726
      6       8.4443      0.00000
      7       8.8159      0.00000
      8       9.8580      0.00000
      9      10.6231      0.00000
     10      12.1388      0.00000
     11      12.7358      0.00000
     12      13.5147      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.7784      2.00000
      2       1.5797      2.00000
      3       2.2633      2.00000
      4       5.1616      2.00000
      5       5.8080      1.99978
      6       8.6851      0.00000
      7       8.8100      0.00000
      8       9.3533      0.00000
      9      11.5822      0.00000
     10      12.1342      0.00000
     11      12.6216      0.00000
     12      13.1203      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.3804      2.00000
      2       0.9198      2.00000
      3       2.5013      2.00000
      4       4.6908      2.00000
      5       5.9461      1.99911
      6       8.0908      0.00000
      7       9.1059      0.00000
      8       9.5785      0.00000
      9      11.1749      0.00000
     10      12.0299      0.00000
     11      12.6969      0.00000
     12      14.0271      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.0119      2.00000
      2       0.3773      2.00000
      3       2.8016      2.00000
      4       4.2270      2.00000
      5       6.2637      1.97892
      6       7.5656      0.00042
      7       9.3963      0.00000
      8       9.8883      0.00000
      9      10.6738      0.00000
     10      11.6450      0.00000
     11      12.9549      0.00000
     12      14.4825      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.1060      2.00000
      2       0.4534      2.00000
      3       5.1243      2.00000
      4       5.8374      1.99970
      5       7.0491      0.07036
      6       7.8647      0.00002
      7       8.1457      0.00000
      8       8.1481      0.00000
      9       9.8737      0.00000
     10      12.2919      0.00000
     11      13.0458      0.00000
     12      14.0325      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.0555      2.00000
      2       0.4974      2.00000
      3       5.0853      2.00000
      4       5.2591      2.00000
      5       7.2165      0.01357
      6       7.5732      0.00039
      7       8.1999      0.00000
      8       8.6351      0.00000
      9      10.2668      0.00000
     10      12.1372      0.00000
     11      12.6319      0.00000
     12      14.6994      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9047      2.00000
      2       0.6274      2.00000
      3       4.1425      2.00000
      4       5.2902      2.00000
      5       6.4638      1.85395
      6       7.7075      0.00010
      7       8.5992      0.00000
      8       9.5445      0.00000
      9      10.9621      0.00000
     10      11.2523      0.00000
     11      12.9324      0.00000
     12      13.8469      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6560      2.00000
      2       0.8357      2.00000
      3       3.1575      2.00000
      4       5.2435      2.00000
      5       5.8593      1.99963
      6       7.9497      0.00001
      7       8.8639      0.00000
      8      10.2276      0.00000
      9      10.6325      0.00000
     10      11.7647      0.00000
     11      12.7870      0.00000
     12      13.1813      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.3157      2.00000
      2       1.0933      2.00000
      3       2.2767      2.00000
      4       4.6076      2.00000
      5       6.0025      1.99844
      6       8.2475      0.00000
      7       9.1427      0.00000
      8       9.3994      0.00000
      9      11.2162      0.00000
     10      11.8580      0.00000
     11      12.5451      0.00000
     12      13.1065      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.9031      2.00000
      2       1.1654      2.00000
      3       1.7393      2.00000
      4       3.9452      2.00000
      5       6.3655      1.94273
      6       8.3895      0.00000
      7       8.8068      0.00000
      8       9.5287      0.00000
      9      11.1062      0.00000
     10      11.3653      0.00000
     11      12.1997      0.00000
     12      14.3002      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.5065      2.00000
      2       0.7303      2.00000
      3       1.8624      2.00000
      4       3.4941      2.00000
      5       6.7332      0.92368
      6       7.9422      0.00001
      7       8.9873      0.00000
      8       9.8741      0.00000
      9      10.5198      0.00000
     10      11.2276      0.00000
     11      12.1129      0.00000
     12      14.3668      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.6869      2.00000
      2      -0.1795      2.00000
      3       5.5980      1.99997
      4       6.3386      1.95597
      5       6.6341      1.39613
      6       7.4255      0.00169
      7       7.9759      0.00001
      8       8.3702      0.00000
      9       9.1512      0.00000
     10      12.0838      0.00000
     11      13.4693      0.00000
     12      14.5322      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.6346      2.00000
      2      -0.1368      2.00000
      3       5.6172      1.99997
      4       5.6593      1.99995
      5       6.4900      1.81428
      6       7.1227      0.03433
      7       8.6079      0.00000
      8       8.7326      0.00000
      9       9.4690      0.00000
     10      12.1709      0.00000
     11      12.7543      0.00000
     12      14.2454      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.4783      2.00000
      2      -0.0104      2.00000
      3       4.5918      2.00000
      4       5.5733      1.99998
      5       5.9442      1.99913
      6       7.1415      0.02853
      7       8.9318      0.00000
      8       9.6733      0.00000
      9      10.4032      0.00000
     10      11.6530      0.00000
     11      12.4772      0.00000
     12      13.4729      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2194      2.00000
      2       0.1942      2.00000
      3       3.5668      2.00000
      4       4.8257      2.00000
      5       6.0884      1.99632
      6       7.3398      0.00398
      7       9.2065      0.00000
      8      10.2926      0.00000
      9      10.6912      0.00000
     10      11.7166      0.00000
     11      12.1479      0.00000
     12      13.4995      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.8616      2.00000
      2       0.4627      2.00000
      3       2.6212      2.00000
      4       4.0591      2.00000
      5       6.4125      1.90991
      6       7.6225      0.00024
      7       9.5370      0.00000
      8       9.7510      0.00000
      9      10.6509      0.00000
     10      11.4108      0.00000
     11      12.7992      0.00000
     12      13.2952      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.4168      2.00000
      2       0.7580      2.00000
      3       1.7828      2.00000
      4       3.4177      2.00000
      5       6.8238      0.51498
      6       7.9449      0.00001
      7       8.9382      0.00000
      8       9.9546      0.00000
      9      10.4903      0.00000
     10      11.1338      0.00000
     11      12.0600      0.00000
     12      14.2433      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1       0.0487      2.00000
      2       0.9528      2.00000
      3       1.1549      2.00000
      4       3.0123      2.00000
      5       7.2470      0.01003
      6       8.1868      0.00000
      7       8.3419      0.00000
      8      10.0337      0.00000
      9      10.4589      0.00000
     10      11.1785      0.00000
     11      11.4611      0.00000
     12      14.1563      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0489      2.00000
      2       2.9241      2.00000
      3       3.6626      2.00000
      4       4.8659      2.00000
      5       6.6328      1.40175
      6       8.5484      0.00000
      7       9.5407      0.00000
      8       9.9060      0.00000
      9      10.7862      0.00000
     10      11.4370      0.00000
     11      12.3460      0.00000
     12      13.2575      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.9997      2.00000
      2       2.9648      2.00000
      3       3.6456      2.00000
      4       4.3344      2.00000
      5       7.2987      0.00599
      6       8.5935      0.00000
      7       9.5851      0.00000
      8       9.6940      0.00000
      9      10.3542      0.00000
     10      11.0538      0.00000
     11      12.9474      0.00000
     12      13.7270      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8530      2.00000
      2       2.9431      2.00000
      3       3.2851      2.00000
      4       3.9997      2.00000
      5       8.3425      0.00000
      6       8.7687      0.00000
      7       9.0041      0.00000
      8       9.5904      0.00000
      9       9.8698      0.00000
     10      10.7975      0.00000
     11      13.5607      0.00000
     12      14.4096      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.6120      2.00000
      2       2.1320      2.00000
      3       3.4145      2.00000
      4       4.1529      2.00000
      5       7.9970      0.00001
      6       8.4282      0.00000
      7       9.2514      0.00000
      8       9.7432      0.00000
      9      10.1069      0.00000
     10      11.0270      0.00000
     11      13.2980      0.00000
     12      14.5863      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.2849      2.00000
      2       1.2580      2.00000
      3       3.7395      2.00000
      4       4.4164      2.00000
      5       7.1104      0.03874
      6       7.8445      0.00003
      7       9.4061      0.00000
      8      10.2604      0.00000
      9      10.5054      0.00000
     10      12.0380      0.00000
     11      12.6493      0.00000
     12      13.7904      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.8968      2.00000
      2       0.4929      2.00000
      3       4.1404      2.00000
      4       4.7366      2.00000
      5       6.3038      1.96870
      6       7.2442      0.01031
      7       9.7311      0.00000
      8      10.6364      0.00000
      9      10.7522      0.00000
     10      11.9699      0.00000
     11      12.9475      0.00000
     12      13.5614      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.5471      2.00000
      2      -0.0475      2.00000
      3       4.5073      2.00000
      4       5.0910      2.00000
      5       5.6212      1.99997
      6       6.8505      0.41979
      7      10.0230      0.00000
      8      10.8534      0.00000
      9      11.0324      0.00000
     10      11.4947      0.00000
     11      12.4048      0.00000
     12      13.8776      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7765      2.00000
      2       2.4163      2.00000
      3       3.3403      2.00000
      4       5.1367      2.00000
      5       6.7976      0.62130
      6       8.4989      0.00000
      7       8.9315      0.00000
      8      10.2303      0.00000
      9      11.1090      0.00000
     10      11.2797      0.00000
     11      11.9838      0.00000
     12      13.0614      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7271      2.00000
      2       2.4622      2.00000
      3       3.3568      2.00000
      4       4.5528      2.00000
      5       7.4373      0.00150
      6       8.5636      0.00000
      7       8.8682      0.00000
      8       9.8062      0.00000
      9      10.4381      0.00000
     10      11.5848      0.00000
     11      12.5996      0.00000
     12      13.4413      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5798      2.00000
      2       2.5844      2.00000
      3       3.2284      2.00000
      4       3.8343      2.00000
      5       8.1568      0.00000
      6       8.4603      0.00000
      7       8.9365      0.00000
      8       9.2918      0.00000
      9       9.9463      0.00000
     10      11.7740      0.00000
     11      13.4654      0.00000
     12      14.0110      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.3376      2.00000
      2       2.3305      2.00000
      3       2.9345      2.00000
      4       3.8470      2.00000
      5       7.4481      0.00135
      6       8.2955      0.00000
      7       8.9490      0.00000
      8       9.4215      0.00000
      9      10.6872      0.00000
     10      11.9387      0.00000
     11      13.5079      0.00000
     12      13.7499      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.0083      2.00000
      2       1.4995      2.00000
      3       3.2284      2.00000
      4       4.0879      2.00000
      5       6.5935      1.55270
      6       7.6087      0.00027
      7       9.2211      0.00000
      8       9.7094      0.00000
      9      11.8314      0.00000
     10      12.2297      0.00000
     11      12.7606      0.00000
     12      13.3738      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.6157      2.00000
      2       0.7385      2.00000
      3       3.6218      2.00000
      4       4.3913      2.00000
      5       5.8090      1.99977
      6       6.9843      0.13032
      7       9.5856      0.00000
      8      10.0123      0.00000
      9      11.8122      0.00000
     10      12.0306      0.00000
     11      12.9791      0.00000
     12      13.8976      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.2575      2.00000
      2       0.1922      2.00000
      3       3.9890      2.00000
      4       4.7128      2.00000
      5       5.1544      2.00000
      6       6.5878      1.57205
      7       9.8743      0.00000
      8      10.3317      0.00000
      9      11.2582      0.00000
     10      11.8606      0.00000
     11      13.0092      0.00000
     12      14.8074      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4045      2.00000
      2       1.4498      2.00000
      3       3.6656      2.00000
      4       5.5124      1.99999
      5       6.7782      0.70769
      6       7.9552      0.00001
      7       9.0480      0.00000
      8       9.2044      0.00000
      9      11.2941      0.00000
     10      11.4636      0.00000
     11      12.5735      0.00000
     12      13.2709      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.3547      2.00000
      2       1.4947      2.00000
      3       3.6942      2.00000
      4       4.8906      2.00000
      5       7.1629      0.02309
      6       8.2727      0.00000
      7       8.4774      0.00000
      8       9.4553      0.00000
      9      10.7943      0.00000
     10      11.7872      0.00000
     11      13.0643      0.00000
     12      13.4100      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2062      2.00000
      2       1.6255      2.00000
      3       3.6262      2.00000
      4       4.0910      2.00000
      5       7.2581      0.00897
      6       7.7758      0.00005
      7       9.1853      0.00000
      8       9.6538      0.00000
      9      10.0190      0.00000
     10      12.6200      0.00000
     11      13.2795      0.00000
     12      13.5886      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.9618      2.00000
      2       1.8161      2.00000
      3       2.8555      2.00000
      4       4.1200      2.00000
      5       6.5382      1.71568
      6       7.8109      0.00004
      7       8.9207      0.00000
      8       9.7003      0.00000
      9      10.9362      0.00000
     10      12.6567      0.00000
     11      13.2274      0.00000
     12      13.5116      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.6286      2.00000
      2       1.7326      2.00000
      3       2.3674      2.00000
      4       4.3501      2.00000
      5       5.7576      1.99986
      6       7.7209      0.00009
      7       8.4663      0.00000
      8      10.0063      0.00000
      9      11.7838      0.00000
     10      12.4277      0.00000
     11      13.0341      0.00000
     12      13.7503      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.2286      2.00000
      2       1.0599      2.00000
      3       2.6315      2.00000
      4       4.4820      2.00000
      5       5.2312      2.00000
      6       7.1686      0.02182
      7       8.6390      0.00000
      8      10.3098      0.00000
      9      11.1853      0.00000
     10      12.4693      0.00000
     11      13.7056      0.00000
     12      14.2749      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -0.8559      2.00000
      2       0.5117      2.00000
      3       2.9488      2.00000
      4       4.2391      2.00000
      5       5.2437      2.00000
      6       6.7250      0.96469
      7       8.8730      0.00000
      8      10.4993      0.00000
      9      10.8156      0.00000
     10      12.1177      0.00000
     11      14.1886      0.00000
     12      14.6715      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.9553      2.00000
      2       0.5825      2.00000
      3       4.1022      2.00000
      4       5.9827      1.99872
      5       6.2792      1.97543
      6       7.9749      0.00001
      7       8.2934      0.00000
      8       9.1884      0.00000
      9      10.6612      0.00000
     10      11.9097      0.00000
     11      12.7188      0.00000
     12      13.5479      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.9048      2.00000
      2       0.6272      2.00000
      3       4.1390      2.00000
      4       5.2939      2.00000
      5       6.4618      1.85668
      6       7.7110      0.00010
      7       8.6041      0.00000
      8       9.5405      0.00000
      9      10.9626      0.00000
     10      11.2522      0.00000
     11      12.9298      0.00000
     12      13.8476      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.7539      2.00000
      2       0.7596      2.00000
      3       4.1335      2.00000
      4       4.4209      2.00000
      5       6.3426      1.95419
      6       7.1078      0.03975
      7       9.6583      0.00000
      8       9.9940      0.00000
      9      10.2443      0.00000
     10      11.7507      0.00000
     11      12.6176      0.00000
     12      13.7251      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.5050      2.00000
      2       0.9725      2.00000
      3       3.2757      2.00000
      4       4.4689      2.00000
      5       5.7113      1.99992
      6       7.0949      0.04510
      7       9.2878      0.00000
      8      10.0839      0.00000
      9      11.1696      0.00000
     10      11.8390      0.00000
     11      12.5602      0.00000
     12      14.1896      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.1643      2.00000
      2       1.2389      2.00000
      3       2.4024      2.00000
      4       4.4567      2.00000
      5       5.2417      2.00000
      6       7.2796      0.00725
      7       8.4587      0.00000
      8      10.3450      0.00000
      9      11.1252      0.00000
     10      12.3210      0.00000
     11      13.3339      0.00000
     12      13.7659      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.7506      2.00000
      2       1.3216      2.00000
      3       1.8662      2.00000
      4       3.9770      2.00000
      5       5.4007      2.00000
      6       7.3243      0.00464
      7       7.9421      0.00001
      8      10.2360      0.00000
      9      10.9717      0.00000
     10      12.6552      0.00000
     11      13.3221      0.00000
     12      14.7116      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.3511      2.00000
      2       0.8746      2.00000
      3       2.0125      2.00000
      4       3.5464      2.00000
      5       5.7014      1.99992
      6       6.9791      0.13675
      7       7.9751      0.00001
      8       9.9093      0.00000
      9      11.2221      0.00000
     10      12.3996      0.00000
     11      13.3766      0.00000
     12      15.3095      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.5306      2.00000
      2      -0.0538      2.00000
      3       4.5430      2.00000
      4       5.7096      1.99992
      5       6.4830      1.82570
      6       7.5721      0.00039
      7       8.1992      0.00000
      8       9.2240      0.00000
      9      10.2804      0.00000
     10      12.3442      0.00000
     11      12.5399      0.00000
     12      13.7241      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4784      2.00000
      2      -0.0105      2.00000
      3       4.5880      2.00000
      4       5.5733      1.99998
      5       5.9464      1.99911
      6       7.1445      0.02769
      7       8.9381      0.00000
      8       9.6727      0.00000
      9      10.3982      0.00000
     10      11.6534      0.00000
     11      12.4754      0.00000
     12      13.4726      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.3223      2.00000
      2       0.1180      2.00000
      3       4.6926      2.00000
      4       4.7342      2.00000
      5       5.5317      1.99999
      6       6.6572      1.29449
      7      10.1188      0.00000
      8      10.2525      0.00000
      9      10.6505      0.00000
     10      10.9561      0.00000
     11      11.9507      0.00000
     12      13.5191      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0636      2.00000
      2       0.3263      2.00000
      3       3.7083      2.00000
      4       4.6943      2.00000
      5       5.1612      2.00000
      6       6.5895      1.56622
      7       9.6284      0.00000
      8      10.4947      0.00000
      9      11.1538      0.00000
     10      11.3879      0.00000
     11      12.0243      0.00000
     12      14.0701      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.7062      2.00000
      2       0.6008      2.00000
      3       2.7683      2.00000
      4       4.0850      2.00000
      5       5.3919      2.00000
      6       6.7456      0.86248
      7       8.7236      0.00000
      8      10.3892      0.00000
      9      10.9359      0.00000
     10      11.9895      0.00000
     11      13.4519      0.00000
     12      14.0601      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.2618      2.00000
      2       0.9054      2.00000
      3       1.9323      2.00000
      4       3.4707      2.00000
      5       5.7946      1.99980
      6       6.9635      0.15803
      7       7.9230      0.00001
      8       9.8422      0.00000
      9      11.3219      0.00000
     10      12.3331      0.00000
     11      13.3301      0.00000
     12      14.9923      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1       0.2035      2.00000
      2       1.1102      2.00000
      3       1.3063      2.00000
      4       3.0659      2.00000
      5       6.2174      1.98668
      6       7.1169      0.03635
      7       7.3185      0.00492
      8       9.4981      0.00000
      9      11.7434      0.00000
     10      12.4999      0.00000
     11      12.7482      0.00000
     12      15.0399      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5354      2.00000
      2       2.1371      2.00000
      3       2.8662      2.00000
      4       5.3784      2.00000
      5       6.7112      1.03364
      6       7.9994      0.00001
      7      10.0126      0.00000
      8      10.1742      0.00000
      9      10.5219      0.00000
     10      11.1387      0.00000
     11      12.0581      0.00000
     12      13.1157      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.4858      2.00000
      2       2.1860      2.00000
      3       2.8938      2.00000
      4       4.7623      2.00000
      5       7.1350      0.03043
      6       8.3097      0.00000
      7       9.3326      0.00000
      8       9.8002      0.00000
      9      10.5365      0.00000
     10      11.5730      0.00000
     11      12.5612      0.00000
     12      13.4240      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3378      2.00000
      2       2.3278      2.00000
      3       2.9349      2.00000
      4       3.8495      2.00000
      5       7.4463      0.00137
      6       8.2969      0.00000
      7       8.9523      0.00000
      8       9.4248      0.00000
      9      10.6814      0.00000
     10      11.9387      0.00000
     11      13.5107      0.00000
     12      13.7519      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0942      2.00000
      2       2.4138      2.00000
      3       2.7202      2.00000
      4       3.4390      2.00000
      5       7.2347      0.01133
      6       7.5402      0.00054
      7       8.4352      0.00000
      8      10.5267      0.00000
      9      11.0592      0.00000
     10      12.0862      0.00000
     11      13.0093      0.00000
     12      14.2828      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.7626      2.00000
      2       1.7030      2.00000
      3       2.9686      2.00000
      4       3.5985      2.00000
      5       6.3425      1.95425
      6       7.0839      0.05017
      7       8.4138      0.00000
      8      11.0203      0.00000
      9      11.7636      0.00000
     10      12.1641      0.00000
     11      12.9732      0.00000
     12      14.1670      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.3654      2.00000
      2       0.9515      2.00000
      3       3.3776      2.00000
      4       3.8695      2.00000
      5       5.5119      1.99999
      6       6.5507      1.68389
      7       8.6608      0.00000
      8      11.0190      0.00000
      9      11.5801      0.00000
     10      12.6329      0.00000
     11      13.6610      0.00000
     12      14.2126      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -0.9982      2.00000
      2       0.4000      2.00000
      3       3.7466      2.00000
      4       4.2035      2.00000
      5       4.8002      2.00000
      6       6.2038      1.98837
      7       8.8941      0.00000
      8      10.6786      0.00000
      9      11.8153      0.00000
     10      12.7488      0.00000
     11      13.3159      0.00000
     12      15.1334      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1609      2.00000
      2       1.6253      2.00000
      3       2.7265      2.00000
      4       5.7537      1.99987
      5       6.1470      1.99340
      6       7.9289      0.00001
      7       9.4371      0.00000
      8      10.2655      0.00000
      9      10.4293      0.00000
     10      11.5794      0.00000
     11      12.2914      0.00000
     12      13.7818      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1110      2.00000
      2       1.6735      2.00000
      3       2.7619      2.00000
      4       5.0783      2.00000
      5       6.3887      1.92835
      6       8.4500      0.00000
      7       8.8189      0.00000
      8       9.8591      0.00000
      9      10.6180      0.00000
     10      12.1417      0.00000
     11      12.7382      0.00000
     12      13.5156      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9620      2.00000
      2       1.8157      2.00000
      3       2.8532      2.00000
      4       4.1229      2.00000
      5       6.5363      1.72029
      6       7.8135      0.00003
      7       8.9218      0.00000
      8       9.7058      0.00000
      9      10.9298      0.00000
     10      12.6579      0.00000
     11      13.2306      0.00000
     12      13.5130      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.7166      2.00000
      2       2.0349      2.00000
      3       2.8153      2.00000
      4       3.4057      2.00000
      5       6.5030      1.79114
      6       7.0023      0.11005
      7       8.1545      0.00000
      8      10.9049      0.00000
      9      11.1920      0.00000
     10      12.0265      0.00000
     11      13.9353      0.00000
     12      14.1909      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.3816      2.00000
      2       1.9822      2.00000
      3       2.5009      2.00000
      4       3.4653      2.00000
      5       5.8311      1.99972
      6       6.7038      1.07035
      7       7.7050      0.00010
      8      10.8225      0.00000
      9      11.5491      0.00000
     10      12.8027      0.00000
     11      14.0709      0.00000
     12      14.5745      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.9778      2.00000
      2       1.2871      2.00000
      3       2.8347      2.00000
      4       3.7347      2.00000
      5       5.0652      2.00000
      6       6.2909      1.97243
      7       7.7325      0.00008
      8      10.2636      0.00000
      9      11.8939      0.00000
     10      13.6999      0.00000
     11      14.3387      0.00000
     12      14.8418      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.5974      2.00000
      2       0.7303      2.00000
      3       3.1884      2.00000
      4       4.0223      2.00000
      5       4.4358      2.00000
      6       5.9554      1.99902
      7       7.8798      0.00002
      8       9.8922      0.00000
      9      12.2010      0.00000
     10      13.3768      0.00000
     11      14.8885      0.00000
     12      15.5501      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7069      2.00000
      2       0.7892      2.00000
      3       3.1127      2.00000
      4       5.4161      2.00000
      5       6.2235      1.98586
      6       8.1885      0.00000
      7       8.5327      0.00000
      8      10.0854      0.00000
      9      10.8741      0.00000
     10      11.5892      0.00000
     11      12.5529      0.00000
     12      13.3400      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6563      2.00000
      2       0.8353      2.00000
      3       3.1546      2.00000
      4       5.2438      2.00000
      5       5.8608      1.99962
      6       7.9534      0.00001
      7       8.8697      0.00000
      8      10.2292      0.00000
      9      10.6314      0.00000
     10      11.7621      0.00000
     11      12.7873      0.00000
     12      13.1833      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5052      2.00000
      2       0.9723      2.00000
      3       3.2730      2.00000
      4       4.4716      2.00000
      5       5.7100      1.99992
      6       7.0973      0.04405
      7       9.2886      0.00000
      8      10.0903      0.00000
      9      11.1639      0.00000
     10      11.8410      0.00000
     11      12.5600      0.00000
     12      14.1891      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2560      2.00000
      2       1.1938      2.00000
      3       3.3278      2.00000
      4       3.6792      2.00000
      5       5.5602      1.99998
      6       6.4585      1.86102
      7       8.3723      0.00000
      8      10.8390      0.00000
      9      11.3918      0.00000
     10      11.8755      0.00000
     11      13.4327      0.00000
     12      14.8621      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.9144      2.00000
      2       1.4766      2.00000
      3       2.5980      2.00000
      4       3.7805      2.00000
      5       5.0388      2.00000
      6       6.3378      1.95630
      7       7.5745      0.00038
      8      10.1738      0.00000
      9      11.9343      0.00000
     10      13.0892      0.00000
     11      14.1589      0.00000
     12      14.9763      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.4985      2.00000
      2       1.5806      2.00000
      3       2.0689      2.00000
      4       3.8713      2.00000
      5       4.6224      2.00000
      6       6.2915      1.97227
      7       7.0605      0.06300
      8       9.6077      0.00000
      9      12.3277      0.00000
     10      14.0215      0.00000
     11      14.5716      0.00000
     12      15.0984      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.0936      2.00000
      2       1.1109      2.00000
      3       2.2602      2.00000
      4       3.6100      2.00000
      5       4.6981      2.00000
      6       6.0306      1.99793
      7       6.9775      0.13882
      8       9.2723      0.00000
      9      12.6740      0.00000
     10      13.7825      0.00000
     11      14.7768      0.00000
     12      16.3469      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2717      2.00000
      2       0.1493      2.00000
      3       3.5156      2.00000
      4       4.8304      2.00000
      5       6.7225      0.97722
      6       7.8137      0.00003
      7       8.4687      0.00000
      8       9.7887      0.00000
      9      11.3159      0.00000
     10      11.6753      0.00000
     11      12.6758      0.00000
     12      12.8705      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2196      2.00000
      2       0.1938      2.00000
      3       3.5636      2.00000
      4       4.8238      2.00000
      5       6.0925      1.99616
      6       7.3432      0.00384
      7       9.2130      0.00000
      8      10.2958      0.00000
      9      10.6924      0.00000
     10      11.7093      0.00000
     11      12.1472      0.00000
     12      13.4994      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.0638      2.00000
      2       0.3261      2.00000
      3       3.7052      2.00000
      4       4.6944      2.00000
      5       5.1632      2.00000
      6       6.5915      1.55942
      7       9.6291      0.00000
      8      10.5016      0.00000
      9      11.1567      0.00000
     10      11.3857      0.00000
     11      12.0185      0.00000
     12      14.0668      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8056      2.00000
      2       0.5410      2.00000
      3       3.9129      2.00000
      4       3.9369      2.00000
      5       4.7345      2.00000
      6       6.0588      1.99726
      7       8.6417      0.00000
      8      10.4101      0.00000
      9      11.9494      0.00000
     10      11.9821      0.00000
     11      12.6687      0.00000
     12      14.6029      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.4489      2.00000
      2       0.8263      2.00000
      3       3.0085      2.00000
      4       4.0005      2.00000
      5       4.4834      2.00000
      6       5.9240      1.99929
      7       7.7292      0.00008
      8       9.7346      0.00000
      9      12.3549      0.00000
     10      13.1515      0.00000
     11      13.7637      0.00000
     12      15.3697      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.0051      2.00000
      2       1.1477      2.00000
      3       2.1785      2.00000
      4       3.5380      2.00000
      5       4.7922      2.00000
      6       5.9977      1.99851
      7       6.9243      0.22526
      8       9.2094      0.00000
      9      12.7763      0.00000
     10      13.6996      0.00000
     11      14.7307      0.00000
     12      15.3047      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.4603      2.00000
      2       1.3717      2.00000
      3       1.5561      2.00000
      4       3.1459      2.00000
      5       5.2023      2.00000
      6       6.0800      1.99661
      7       6.3113      1.96629
      8       8.9122      0.00000
      9      13.2005      0.00000
     10      13.9430      0.00000
     11      14.1775      0.00000
     12      16.1919      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8292      2.00000
      2       1.5263      2.00000
      3       2.2258      2.00000
      4       5.3908      2.00000
      5       6.0866      1.99638
      6       8.1356      0.00000
      7       9.4478      0.00000
      8       9.8115      0.00000
      9      10.8599      0.00000
     10      11.7088      0.00000
     11      12.7702      0.00000
     12      13.3134      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.7790      2.00000
      2       1.5776      2.00000
      3       2.2625      2.00000
      4       5.1627      2.00000
      5       5.8089      1.99977
      6       8.6897      0.00000
      7       8.8136      0.00000
      8       9.3561      0.00000
      9      11.5848      0.00000
     10      12.1328      0.00000
     11      12.6229      0.00000
     12      13.1197      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6291      2.00000
      2       1.7306      2.00000
      3       2.3669      2.00000
      4       4.3526      2.00000
      5       5.7564      1.99987
      6       7.7228      0.00009
      7       8.4685      0.00000
      8      10.0127      0.00000
      9      11.7836      0.00000
     10      12.4236      0.00000
     11      13.0369      0.00000
     12      13.7532      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.3819      2.00000
      2       1.9803      2.00000
      3       2.5010      2.00000
      4       3.4671      2.00000
      5       5.8298      1.99972
      6       6.7052      1.06336
      7       7.7061      0.00010
      8      10.8243      0.00000
      9      11.5543      0.00000
     10      12.7959      0.00000
     11      14.0727      0.00000
     12      14.5772      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.0437      2.00000
      2       2.1961      2.00000
      3       2.4339      2.00000
      4       3.0246      2.00000
      5       5.7063      1.99992
      6       5.9098      1.99938
      7       7.1399      0.02897
      8      10.1745      0.00000
      9      12.8023      0.00000
     10      13.3303      0.00000
     11      14.5837      0.00000
     12      15.2944      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.6335      2.00000
      2       1.5827      2.00000
      3       2.7976      2.00000
      4       3.1978      2.00000
      5       4.8931      2.00000
      6       5.6969      1.99993
      7       6.9377      0.19984
      8       9.6052      0.00000
      9      13.3876      0.00000
     10      14.5087      0.00000
     11      15.0495      0.00000
     12      15.3719      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.2397      2.00000
      2       1.0206      2.00000
      3       3.1818      2.00000
      4       3.5071      2.00000
      5       4.1682      2.00000
      6       5.4672      1.99999
      7       6.9634      0.15818
      8       9.2691      0.00000
      9      13.7421      0.00000
     10      14.7007      0.00000
     11      15.2535      0.00000
     12      16.5004      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.3670      2.00000
      2       1.0435      2.00000
      3       2.2317      2.00000
      4       4.6112      2.00000
      5       6.5554      1.67093
      6       8.4888      0.00000
      7       8.8573      0.00000
      8       9.9476      0.00000
      9      10.5210      0.00000
     10      11.9151      0.00000
     11      12.4090      0.00000
     12      12.9060      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.3163      2.00000
      2       1.0925      2.00000
      3       2.2745      2.00000
      4       4.6062      2.00000
      5       6.0060      1.99838
      6       8.2509      0.00000
      7       9.1483      0.00000
      8       9.4017      0.00000
      9      11.2204      0.00000
     10      11.8594      0.00000
     11      12.5470      0.00000
     12      13.1006      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.1648      2.00000
      2       1.2382      2.00000
      3       2.4004      2.00000
      4       4.4570      2.00000
      5       5.2429      2.00000
      6       7.2822      0.00706
      7       8.4600      0.00000
      8      10.3511      0.00000
      9      11.1269      0.00000
     10      12.3221      0.00000
     11      13.3300      0.00000
     12      13.7695      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.9147      2.00000
      2       1.4762      2.00000
      3       2.5962      2.00000
      4       3.7824      2.00000
      5       5.0380      2.00000
      6       6.3394      1.95560
      7       7.5752      0.00038
      8      10.1746      0.00000
      9      11.9411      0.00000
     10      13.0835      0.00000
     11      14.1611      0.00000
     12      14.9804      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.5714      2.00000
      2       1.7902      2.00000
      3       2.7114      2.00000
      4       3.1007      2.00000
      5       4.9588      2.00000
      6       5.5947      1.99997
      7       6.8077      0.57888
      8       9.5151      0.00000
      9      13.2849      0.00000
     10      13.6869      0.00000
     11      15.1890      0.00000
     12      15.9740      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.1516      2.00000
      2       1.9388      2.00000
      3       2.3223      2.00000
      4       3.2580      2.00000
      5       4.4614      2.00000
      6       5.3393      2.00000
      7       6.2660      1.97844
      8       9.0005      0.00000
      9      13.8468      0.00000
     10      15.0524      0.00000
     11      15.6270      0.00000
     12      16.1028      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1       0.2628      2.00000
      2       1.4297      2.00000
      3       2.5988      2.00000
      4       3.5239      2.00000
      5       3.9145      2.00000
      6       5.1919      2.00000
      7       6.0587      1.99726
      8       8.7118      0.00000
      9      14.2146      0.00000
     10      15.2330      0.00000
     11      16.2051      0.00000
     12      16.7078      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.9141      2.00000
      2       0.4155      2.00000
      3       2.5692      2.00000
      4       4.0436      2.00000
      5       7.0533      0.06758
      6       8.1431      0.00000
      7       8.8225      0.00000
      8      10.1200      0.00000
      9      10.3924      0.00000
     10      11.7362      0.00000
     11      12.0798      0.00000
     12      13.2003      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8621      2.00000
      2       0.4620      2.00000
      3       2.6187      2.00000
      4       4.0576      2.00000
      5       6.4164      1.90651
      6       7.6258      0.00023
      7       9.5430      0.00000
      8       9.7533      0.00000
      9      10.6555      0.00000
     10      11.4122      0.00000
     11      12.8032      0.00000
     12      13.2863      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.7067      2.00000
      2       0.6002      2.00000
      3       2.7659      2.00000
      4       4.0839      2.00000
      5       5.3951      2.00000
      6       6.7480      0.85081
      7       8.7249      0.00000
      8      10.3914      0.00000
      9      10.9424      0.00000
     10      11.9933      0.00000
     11      13.4431      0.00000
     12      14.0646      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4492      2.00000
      2       0.8260      2.00000
      3       3.0063      2.00000
      4       4.0007      2.00000
      5       4.4850      2.00000
      6       5.9253      1.99928
      7       7.7299      0.00008
      8       9.7353      0.00000
      9      12.3627      0.00000
     10      13.1530      0.00000
     11      13.7570      0.00000
     12      15.3628      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0932      2.00000
      2       1.1284      2.00000
      3       3.3193      2.00000
      4       3.3237      2.00000
      5       4.1278      2.00000
      6       5.3449      2.00000
      7       6.8134      0.55587
      8       9.1192      0.00000
      9      13.8579      0.00000
     10      13.9131      0.00000
     11      14.5243      0.00000
     12      16.0538      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.3498      2.00000
      2       1.4772      2.00000
      3       2.5144      2.00000
      4       3.5077      2.00000
      5       3.9640      2.00000
      6       5.1335      2.00000
      7       6.0057      1.99839
      8       8.6551      0.00000
      9      14.3237      0.00000
     10      15.0685      0.00000
     11      15.6560      0.00000
     12      16.1629      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.8156      2.00000
      2       1.7359      2.00000
      3       1.8980      2.00000
      4       3.2354      2.00000
      5       4.2703      2.00000
      6       5.1234      2.00000
      7       5.3831      2.00000
      8       8.4017      0.00000
      9      14.7423      0.00000
     10      15.4361      0.00000
     11      15.6731      0.00000
     12      17.2108      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9551      2.00000
      2       1.1115      2.00000
      3       1.6951      2.00000
      4       3.9274      2.00000
      5       6.9646      0.15646
      6       8.8438      0.00000
      7       9.0882      0.00000
      8       9.3029      0.00000
      9      10.5703      0.00000
     10      11.5045      0.00000
     11      11.6108      0.00000
     12      13.9476      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9040      2.00000
      2       1.1637      2.00000
      3       1.7381      2.00000
      4       3.9442      2.00000
      5       6.3689      1.94082
      6       8.3922      0.00000
      7       8.8097      0.00000
      8       9.5344      0.00000
      9      11.1089      0.00000
     10      11.3705      0.00000
     11      12.2039      0.00000
     12      14.2966      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7514      2.00000
      2       1.3200      2.00000
      3       1.8652      2.00000
      4       3.9763      2.00000
      5       5.4032      2.00000
      6       7.3266      0.00454
      7       7.9441      0.00001
      8      10.2388      0.00000
      9      10.9772      0.00000
     10      12.6608      0.00000
     11      13.3267      0.00000
     12      14.7032      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4992      2.00000
      2       1.5792      2.00000
      3       2.0681      2.00000
      4       3.8718      2.00000
      5       4.6232      2.00000
      6       6.2931      1.97182
      7       7.0618      0.06220
      8       9.6090      0.00000
      9      12.3349      0.00000
     10      14.0265      0.00000
     11      14.5741      0.00000
     12      15.0936      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.1520      2.00000
      2       1.9375      2.00000
      3       2.3220      2.00000
      4       3.2592      2.00000
      5       4.4610      2.00000
      6       5.3403      2.00000
      7       6.2666      1.97831
      8       9.0010      0.00000
      9      13.8545      0.00000
     10      15.0471      0.00000
     11      15.6297      0.00000
     12      16.1076      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.2755      2.00000
      2       2.2965      2.00000
      3       2.4493      2.00000
      4       2.7607      2.00000
      5       4.4540      2.00000
      6       4.5537      2.00000
      7       5.6262      1.99996
      8       8.5449      0.00000
      9      15.2532      0.00000
     10      15.7095      0.00000
     11      16.5968      0.00000
     12      17.0301      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.7080      2.00000
      2       1.8028      2.00000
      3       2.8275      2.00000
      4       3.0148      2.00000
      5       3.7424      2.00000
      6       4.5761      2.00000
      7       5.2485      2.00000
      8       8.2973      0.00000
      9      15.7721      0.00000
     10      16.6221      0.00000
     11      17.0676      0.00000
     12      17.5360      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4695      2.00000
      2       0.7074      2.00000
      3       1.7307      2.00000
      4       3.3977      2.00000
      5       7.4626      0.00117
      6       8.5375      0.00000
      7       9.2560      0.00000
      8       9.5877      0.00000
      9      10.3080      0.00000
     10      10.9333      0.00000
     11      11.3212      0.00000
     12      13.8545      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4177      2.00000
      2       0.7568      2.00000
      3       1.7808      2.00000
      4       3.4170      2.00000
      5       6.8274      0.50158
      6       7.9479      0.00001
      7       8.9407      0.00000
      8       9.9605      0.00000
      9      10.4936      0.00000
     10      11.1381      0.00000
     11      12.0649      0.00000
     12      14.2457      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.2626      2.00000
      2       0.9043      2.00000
      3       1.9304      2.00000
      4       3.4700      2.00000
      5       5.7975      1.99980
      6       6.9658      0.15469
      7       7.9248      0.00001
      8       9.8441      0.00000
      9      11.3287      0.00000
     10      12.3385      0.00000
     11      13.3357      0.00000
     12      14.9856      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0057      2.00000
      2       1.1468      2.00000
      3       2.1768      2.00000
      4       3.5376      2.00000
      5       4.7945      2.00000
      6       5.9993      1.99849
      7       6.9256      0.22285
      8       9.2106      0.00000
      9      12.7839      0.00000
     10      13.7053      0.00000
     11      14.7368      0.00000
     12      15.2950      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.3494      2.00000
      2       1.4767      2.00000
      3       2.5130      2.00000
      4       3.5080      2.00000
      5       3.9650      2.00000
      6       5.1343      2.00000
      7       6.0062      1.99838
      8       8.6556      0.00000
      9      14.3320      0.00000
     10      15.0722      0.00000
     11      15.6480      0.00000
     12      16.1688      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.7919      2.00000
      2       1.8706      2.00000
      3       2.9095      2.00000
      4       2.9208      2.00000
      5       3.7207      2.00000
      6       4.4760      2.00000
      7       5.1965      2.00000
      8       8.2460      0.00000
      9      15.8061      0.00000
     10      16.0316      0.00000
     11      16.4170      0.00000
     12      17.2242      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       1.2594      2.00000
      2       2.1990      2.00000
      3       2.3118      2.00000
      4       3.2420      2.00000
      5       3.5269      2.00000
      6       4.2620      2.00000
      7       4.5603      2.00000
      8       8.0271      0.00000
      9      16.3068      0.00000
     10      16.8953      0.00000
     11      17.1591      0.00000
     12      17.6162      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.0045      2.00000
      2       0.8987      2.00000
      3       1.1027      2.00000
      4       2.9934      2.00000
      5       7.8791      0.00002
      6       8.8921      0.00000
      7       8.9814      0.00000
      8       9.7082      0.00000
      9      10.3661      0.00000
     10      10.3898      0.00000
     11      10.7062      0.00000
     12      13.7984      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.0473      2.00000
      2       0.9513      2.00000
      3       1.1534      2.00000
      4       3.0121      2.00000
      5       7.2500      0.00973
      6       8.1897      0.00000
      7       8.3448      0.00000
      8      10.0368      0.00000
      9      10.4644      0.00000
     10      11.1839      0.00000
     11      11.4664      0.00000
     12      14.1604      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.2023      2.00000
      2       1.1087      2.00000
      3       1.3049      2.00000
      4       3.0658      2.00000
      5       6.2199      1.98635
      6       7.1192      0.03552
      7       7.3208      0.00480
      8       9.5003      0.00000
      9      11.7497      0.00000
     10      12.5059      0.00000
     11      12.7542      0.00000
     12      15.0449      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4592      2.00000
      2       1.3704      2.00000
      3       1.5548      2.00000
      4       3.1460      2.00000
      5       5.2042      2.00000
      6       6.0817      1.99655
      7       6.3130      1.96574
      8       8.9136      0.00000
      9      13.2077      0.00000
     10      13.9497      0.00000
     11      14.1842      0.00000
     12      16.1976      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.8147      2.00000
      2       1.7349      2.00000
      3       1.8970      2.00000
      4       3.2357      2.00000
      5       4.2715      2.00000
      6       5.1245      2.00000
      7       5.3841      2.00000
      8       8.4025      0.00000
      9      14.7502      0.00000
     10      15.4431      0.00000
     11      15.6804      0.00000
     12      17.2010      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.2589      2.00000
      2       2.1984      2.00000
      3       2.3113      2.00000
      4       3.2425      2.00000
      5       3.5273      2.00000
      6       4.2625      2.00000
      7       4.5607      2.00000
      8       8.0273      0.00000
      9      16.3146      0.00000
     10      16.9017      0.00000
     11      17.1663      0.00000
     12      17.6069      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.7325      2.00000
      2       2.6983      2.00000
      3       2.7013      2.00000
      4       2.7484      2.00000
      5       3.5165      2.00000
      6       3.5280      2.00000
      7       3.8922      2.00000
      8       7.8282      0.00003
      9      17.5789      0.00000
     10      18.1254      0.00000
     11      18.1450      0.00000
     12      18.3196      0.00000

 k-point   197 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.4150      2.00000
      2       3.7866      2.00000
      3       4.5021      2.00000
      4       5.2989      2.00000
      5       6.0494      1.99750
      6       6.7494      0.84405
      7       8.1958      0.00000
      8      11.7306      0.00000
      9      12.4357      0.00000
     10      12.6621      0.00000
     11      13.6354      0.00000
     12      14.1395      0.00000

 k-point   198 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3661      2.00000
      2       3.6932      2.00000
      3       4.0117      2.00000
      4       5.3475      2.00000
      5       6.6392      1.37442
      6       6.8495      0.42302
      7       8.2956      0.00000
      8      11.0329      0.00000
      9      12.3512      0.00000
     10      12.6853      0.00000
     11      12.9924      0.00000
     12      13.8716      0.00000

 k-point   199 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.2203      2.00000
      2       2.8015      2.00000
      3       4.0401      2.00000
      4       5.4928      1.99999
      5       6.9235      0.22705
      6       7.5177      0.00067
      7       8.8033      0.00000
      8      10.0564      0.00000
      9      11.3693      0.00000
     10      12.5146      0.00000
     11      12.6826      0.00000
     12      13.7013      0.00000

 k-point   200 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.9810      2.00000
      2       1.8264      2.00000
      3       4.2682      2.00000
      4       5.7336      1.99989
      5       7.1762      0.02024
      6       7.7966      0.00004
      7       9.0743      0.00000
      8      10.0730      0.00000
      9      10.3455      0.00000
     10      11.6845      0.00000
     11      12.9069      0.00000
     12      13.2627      0.00000

 k-point   201 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.6571      2.00000
      2       0.9325      2.00000
      3       4.5903      2.00000
      4       6.0665      1.99704
      5       7.4601      0.00120
      6       7.7190      0.00009
      7       8.5310      0.00000
      8       9.4191      0.00000
      9      10.8350      0.00000
     10      11.5181      0.00000
     11      12.8797      0.00000
     12      13.2205      0.00000

 k-point   202 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.2752      2.00000
      2       0.1658      2.00000
      3       4.9837      2.00000
      4       6.4788      1.83240
      5       7.0614      0.06244
      6       7.9824      0.00001
      7       8.4546      0.00000
      8       8.6098      0.00000
      9      10.0419      0.00000
     10      12.4288      0.00000
     11      13.2885      0.00000
     12      13.5931      0.00000

 k-point   203 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -1.9370      2.00000
      2      -0.3659      2.00000
      3       5.3638      2.00000
      4       6.5452      1.69820
      5       6.8995      0.27992
      6       7.9902      0.00001
      7       8.2906      0.00000
      8       8.6592      0.00000
      9       9.3591      0.00000
     10      12.3168      0.00000
     11      13.9256      0.00000
     12      14.8804      0.00000

 k-point   204 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2695      2.00000
      2       2.7702      2.00000
      3       4.6483      2.00000
      4       5.4442      1.99999
      5       6.2976      1.97056
      6       7.4300      0.00162
      7       8.7716      0.00000
      8      10.5926      0.00000
      9      11.3236      0.00000
     10      11.9936      0.00000
     11      13.6909      0.00000
     12      13.7764      0.00000

 k-point   205 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2204      2.00000
      2       2.7981      2.00000
      3       4.0441      2.00000
      4       5.4927      1.99999
      5       6.9284      0.21722
      6       7.5159      0.00068
      7       8.7993      0.00000
      8      10.0567      0.00000
      9      11.3658      0.00000
     10      12.5155      0.00000
     11      12.6867      0.00000
     12      13.7005      0.00000

 k-point   206 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.0741      2.00000
      2       2.7143      2.00000
      3       3.2640      2.00000
      4       5.6379      1.99996
      5       7.4057      0.00206
      6       8.1771      0.00000
      7       8.7942      0.00000
      8       9.4818      0.00000
      9      11.3800      0.00000
     10      11.6844      0.00000
     11      12.9245      0.00000
     12      13.7184      0.00000

 k-point   207 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.8340      2.00000
      2       1.9272      2.00000
      3       3.2982      2.00000
      4       5.8786      1.99955
      5       7.3363      0.00412
      6       8.3493      0.00000
      7       8.8278      0.00000
      8      10.2145      0.00000
      9      10.4832      0.00000
     10      11.7827      0.00000
     11      12.3680      0.00000
     12      13.4670      0.00000

 k-point   208 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.5085      2.00000
      2       1.0542      2.00000
      3       3.5884      2.00000
      4       6.2112      1.98748
      5       6.7921      0.64519
      6       8.4146      0.00000
      7       9.0351      0.00000
      8       9.5623      0.00000
      9      11.5289      0.00000
     10      11.7074      0.00000
     11      12.0949      0.00000
     12      13.1404      0.00000

 k-point   209 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.1236      2.00000
      2       0.2910      2.00000
      3       3.9579      2.00000
      4       6.1290      1.99448
      5       6.6230      1.44180
      6       8.7017      0.00000
      7       8.7546      0.00000
      8       9.2394      0.00000
      9      10.8374      0.00000
     10      12.4746      0.00000
     11      12.8237      0.00000
     12      13.2424      0.00000

 k-point   210 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.7799      2.00000
      2      -0.2441      2.00000
      3       4.3030      2.00000
      4       5.6206      1.99997
      5       7.0428      0.07478
      6       8.1364      0.00000
      7       8.9278      0.00000
      8       9.5417      0.00000
      9      10.1993      0.00000
     10      12.6716      0.00000
     11      12.8213      0.00000
     12      14.2687      0.00000

 k-point   211 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.2141      2.00000
      2       2.8172      2.00000
      3       4.7028      2.00000
      4       4.7275      2.00000
      5       6.4676      1.84878
      6       7.9993      0.00001
      7       8.9233      0.00000
      8      10.6442      0.00000
      9      10.6446      0.00000
     10      12.2472      0.00000
     11      12.6679      0.00000
     12      13.7835      0.00000

 k-point   212 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1650      2.00000
      2       2.8471      2.00000
      3       4.0719      2.00000
      4       4.8241      2.00000
      5       7.1303      0.03185
      6       8.0385      0.00000
      7       8.9275      0.00000
      8      10.0747      0.00000
      9      10.7578      0.00000
     10      11.9904      0.00000
     11      12.7679      0.00000
     12      14.1317      0.00000

 k-point   213 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.0187      2.00000
      2       2.7716      2.00000
      3       3.2939      2.00000
      4       4.9635      2.00000
      5       8.0907      0.00000
      6       8.2246      0.00000
      7       8.8456      0.00000
      8       9.5439      0.00000
      9      10.6755      0.00000
     10      11.2407      0.00000
     11      13.3079      0.00000
     12      14.1055      0.00000

 k-point   214 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.7783      2.00000
      2       1.9795      2.00000
      3       3.3384      2.00000
      4       5.1867      2.00000
      5       7.7425      0.00007
      6       8.5625      0.00000
      7       9.0096      0.00000
      8       9.8827      0.00000
      9      10.2627      0.00000
     10      11.2988      0.00000
     11      12.8403      0.00000
     12      13.8532      0.00000

 k-point   215 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.4525      2.00000
      2       1.1057      2.00000
      3       3.6332      2.00000
      4       5.4807      1.99999
      5       7.0054      0.10680
      6       8.6484      0.00000
      7       9.0028      0.00000
      8       9.5383      0.00000
      9      11.2451      0.00000
     10      11.9230      0.00000
     11      12.0493      0.00000
     12      13.4776      0.00000

 k-point   216 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.0668      2.00000
      2       0.3418      2.00000
      3       4.0065      2.00000
      4       5.7590      1.99986
      5       6.3801      1.93407
      6       8.0915      0.00000
      7       9.3701      0.00000
      8       9.5686      0.00000
      9      11.2575      0.00000
     10      11.7297      0.00000
     11      13.0149      0.00000
     12      13.4425      0.00000

 k-point   217 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.7216      2.00000
      2      -0.1946      2.00000
      3       4.3558      2.00000
      4       5.5984      1.99997
      5       6.3555      1.94806
      6       7.5927      0.00032
      7       9.6249      0.00000
      8       9.9058      0.00000
      9      10.5410      0.00000
     10      12.0971      0.00000
     11      12.7442      0.00000
     12      13.8474      0.00000

 k-point   218 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.0306      2.00000
      2       1.7844      2.00000
      3       4.8904      2.00000
      4       5.6849      1.99993
      5       6.5598      1.65879
      6       7.7473      0.00007
      7       9.5518      0.00000
      8       9.9728      0.00000
      9      10.2954      0.00000
     10      11.1949      0.00000
     11      13.2096      0.00000
     12      14.0043      0.00000

 k-point   219 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9813      2.00000
      2       1.8235      2.00000
      3       4.2722      2.00000
      4       5.7333      1.99989
      5       7.1808      0.01934
      6       7.7975      0.00004
      7       9.0746      0.00000
      8      10.0661      0.00000
      9      10.3425      0.00000
     10      11.6858      0.00000
     11      12.9109      0.00000
     12      13.2626      0.00000

 k-point   220 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.8342      2.00000
      2       1.9246      2.00000
      3       3.3013      2.00000
      4       5.8784      1.99955
      5       7.3367      0.00410
      6       8.3525      0.00000
      7       8.8298      0.00000
      8      10.2083      0.00000
      9      10.4804      0.00000
     10      11.7859      0.00000
     11      12.3678      0.00000
     12      13.4701      0.00000

 k-point   221 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.5924      2.00000
      2       1.8951      2.00000
      3       2.5696      2.00000
      4       6.1189      1.99501
      5       6.6965      1.10666
      6       8.4494      0.00000
      7       9.8877      0.00000
      8      10.5714      0.00000
      9      10.6023      0.00000
     10      10.8676      0.00000
     11      12.4736      0.00000
     12      13.5083      0.00000

 k-point   222 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.2640      2.00000
      2       1.2312      2.00000
      3       2.6378      2.00000
      4       5.9287      1.99925
      5       6.4510      1.87034
      6       8.6804      0.00000
      7       9.7957      0.00000
      8      10.3219      0.00000
      9      11.0694      0.00000
     10      11.7590      0.00000
     11      12.0861      0.00000
     12      13.5060      0.00000

 k-point   223 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.8735      2.00000
      2       0.4904      2.00000
      3       2.9617      2.00000
      4       5.2313      2.00000
      5       6.8621      0.38246
      6       8.9855      0.00000
      7       8.9930      0.00000
      8      10.4313      0.00000
      9      11.4507      0.00000
     10      11.6603      0.00000
     11      13.0132      0.00000
     12      13.6183      0.00000

 k-point   224 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.5195      2.00000
      2      -0.0480      2.00000
      3       3.2701      2.00000
      4       4.7395      2.00000
      5       7.2804      0.00719
      6       8.3773      0.00000
      7       9.2480      0.00000
      8      10.3731      0.00000
      9      11.4585      0.00000
     10      11.8061      0.00000
     11      13.2226      0.00000
     12      13.3091      0.00000

 k-point   225 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9751      2.00000
      2       1.8338      2.00000
      3       4.9448      2.00000
      4       4.9676      2.00000
      5       6.7105      1.03701
      6       8.4207      0.00000
      7       9.6057      0.00000
      8       9.6236      0.00000
      9      10.0495      0.00000
     10      11.5540      0.00000
     11      12.8990      0.00000
     12      13.5451      0.00000

 k-point   226 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9257      2.00000
      2       1.8734      2.00000
      3       4.3059      2.00000
      4       5.0532      2.00000
      5       7.3866      0.00249
      6       8.3306      0.00000
      7       9.1513      0.00000
      8       9.7207      0.00000
      9      10.1879      0.00000
     10      11.9878      0.00000
     11      12.2308      0.00000
     12      13.6944      0.00000

 k-point   227 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.7785      2.00000
      2       1.9770      2.00000
      3       3.3415      2.00000
      4       5.1866      2.00000
      5       7.7429      0.00007
      6       8.5681      0.00000
      7       9.0085      0.00000
      8       9.8786      0.00000
      9      10.2600      0.00000
     10      11.3004      0.00000
     11      12.8412      0.00000
     12      13.8536      0.00000

 k-point   228 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.5365      2.00000
      2       1.9529      2.00000
      3       2.6087      2.00000
      4       5.3909      2.00000
      5       6.9319      0.21058
      6       9.0708      0.00000
      7       9.6509      0.00000
      8      10.0558      0.00000
      9      10.2161      0.00000
     10      11.0342      0.00000
     11      13.1601      0.00000
     12      13.9576      0.00000

 k-point   229 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.2078      2.00000
      2       1.2851      2.00000
      3       2.6837      2.00000
      4       5.5633      1.99998
      5       6.2529      1.98107
      6       9.0710      0.00000
      7       9.3906      0.00000
      8      10.3871      0.00000
      9      10.5893      0.00000
     10      12.0111      0.00000
     11      12.6687      0.00000
     12      13.8501      0.00000

 k-point   230 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.8166      2.00000
      2       0.5427      2.00000
      3       3.0120      2.00000
      4       5.2090      2.00000
      5       6.2690      1.97780
      6       8.3619      0.00000
      7       9.7392      0.00000
      8      10.7373      0.00000
      9      10.8305      0.00000
     10      12.0224      0.00000
     11      13.0600      0.00000
     12      13.5229      0.00000

 k-point   231 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.4613      2.00000
      2       0.0027      2.00000
      3       3.3248      2.00000
      4       4.7524      2.00000
      5       6.5809      1.59487
      6       7.8268      0.00003
      7      10.0454      0.00000
      8      10.8947      0.00000
      9      11.1404      0.00000
     10      11.5681      0.00000
     11      12.5314      0.00000
     12      13.7403      0.00000

 k-point   232 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.8091      2.00000
      2       1.9753      2.00000
      3       3.8644      2.00000
      4       5.1078      2.00000
      5       6.8086      0.57552
      6       8.6836      0.00000
      7       9.6375      0.00000
      8       9.7658      0.00000
      9      10.2431      0.00000
     10      11.6506      0.00000
     11      11.8574      0.00000
     12      13.4642      0.00000

 k-point   233 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7596      2.00000
      2       2.0171      2.00000
      3       3.8696      2.00000
      4       4.5411      2.00000
      5       7.4595      0.00120
      6       8.6921      0.00000
      7       9.1132      0.00000
      8       9.8170      0.00000
      9      10.3603      0.00000
     10      11.1926      0.00000
     11      12.3911      0.00000
     12      13.9938      0.00000

 k-point   234 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.6122      2.00000
      2       2.1294      2.00000
      3       3.4174      2.00000
      4       4.1530      2.00000
      5       7.9972      0.00001
      6       8.4299      0.00000
      7       9.2544      0.00000
      8       9.7412      0.00000
      9      10.1062      0.00000
     10      11.0249      0.00000
     11      13.3007      0.00000
     12      14.5846      0.00000

 k-point   235 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.3696      2.00000
      2       2.1260      2.00000
      3       2.7119      2.00000
      4       4.3179      2.00000
      5       7.1159      0.03672
      6       8.6423      0.00000
      7       9.2083      0.00000
      8      10.2673      0.00000
      9      10.2870      0.00000
     10      11.2747      0.00000
     11      13.8323      0.00000
     12      13.9485      0.00000

 k-point   236 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.0399      2.00000
      2       1.4451      2.00000
      3       2.8155      2.00000
      4       4.5751      2.00000
      5       6.2885      1.97307
      6       8.0387      0.00000
      7       9.3655      0.00000
      8      10.6176      0.00000
      9      10.9225      0.00000
     10      12.1785      0.00000
     11      13.0644      0.00000
     12      13.5964      0.00000

 k-point   237 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.6466      2.00000
      2       0.6980      2.00000
      3       3.1598      2.00000
      4       4.8131      2.00000
      5       5.6425      1.99996
      6       7.3779      0.00272
      7       9.7018      0.00000
      8      11.0558      0.00000
      9      11.1566      0.00000
     10      12.1534      0.00000
     11      12.8976      0.00000
     12      13.8547      0.00000

 k-point   238 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.2872      2.00000
      2       0.1536      2.00000
      3       3.4875      2.00000
      4       4.7435      2.00000
      5       5.4716      1.99999
      6       6.9248      0.22428
      7       9.9878      0.00000
      8      11.3237      0.00000
      9      11.5854      0.00000
     10      11.6386      0.00000
     11      12.2128      0.00000
     12      14.2501      0.00000

 k-point   239 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.7076      2.00000
      2       0.8882      2.00000
      3       5.2246      2.00000
      4       6.0175      1.99819
      5       6.8915      0.29961
      6       7.9139      0.00001
      7       8.6169      0.00000
      8       9.3687      0.00000
      9      10.3703      0.00000
     10      11.4600      0.00000
     11      12.8193      0.00000
     12      14.3041      0.00000

 k-point   240 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6578      2.00000
      2       0.9303      2.00000
      3       4.5941      2.00000
      4       6.0659      1.99706
      5       7.4628      0.00116
      6       7.7230      0.00009
      7       8.5313      0.00000
      8       9.4168      0.00000
      9      10.8368      0.00000
     10      11.5092      0.00000
     11      12.8802      0.00000
     12      13.2241      0.00000

 k-point   241 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.5090      2.00000
      2       1.0521      2.00000
      3       3.5914      2.00000
      4       6.2108      1.98754
      5       6.7932      0.64068
      6       8.4159      0.00000
      7       9.0395      0.00000
      8       9.5600      0.00000
      9      11.5257      0.00000
     10      11.7032      0.00000
     11      12.0979      0.00000
     12      13.1432      0.00000

 k-point   242 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.2643      2.00000
      2       1.2294      2.00000
      3       2.6399      2.00000
      4       5.9293      1.99925
      5       6.4508      1.87065
      6       8.6803      0.00000
      7       9.7937      0.00000
      8      10.3275      0.00000
      9      11.0717      0.00000
     10      11.7519      0.00000
     11      12.0869      0.00000
     12      13.5081      0.00000

 k-point   243 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.9308      2.00000
      2       1.2708      2.00000
      3       1.9839      2.00000
      4       5.1171      2.00000
      5       6.7823      0.68891
      6       8.9781      0.00000
      7      10.0190      0.00000
      8      10.2458      0.00000
      9      11.3241      0.00000
     10      11.9666      0.00000
     11      12.4424      0.00000
     12      13.4500      0.00000

 k-point   244 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.5309      2.00000
      2       0.7357      2.00000
      3       2.0706      2.00000
      4       4.4229      2.00000
      5       7.1924      0.01724
      6       9.3170      0.00000
      7       9.3206      0.00000
      8      10.5324      0.00000
      9      11.1690      0.00000
     10      12.5506      0.00000
     11      12.7888      0.00000
     12      12.8489      0.00000

 k-point   245 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.1592      2.00000
      2       0.2065      2.00000
      3       2.3186      2.00000
      4       3.9579      2.00000
      5       7.6092      0.00027
      6       8.7059      0.00000
      7       9.6188      0.00000
      8      10.8454      0.00000
      9      10.8920      0.00000
     10      12.2853      0.00000
     11      12.8133      0.00000
     12      12.9918      0.00000

 k-point   246 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6516      2.00000
      2       0.9384      2.00000
      3       5.2789      2.00000
      4       5.2970      2.00000
      5       6.9675      0.15231
      6       8.6119      0.00000
      7       8.6713      0.00000
      8       8.7752      0.00000
      9      10.7856      0.00000
     10      11.5642      0.00000
     11      13.0899      0.00000
     12      13.2138      0.00000

 k-point   247 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6017      2.00000
      2       0.9807      2.00000
      3       4.6337      2.00000
      4       5.3646      2.00000
      5       7.6411      0.00020
      6       7.9011      0.00001
      7       8.7746      0.00000
      8       9.1266      0.00000
      9      11.2086      0.00000
     10      11.5697      0.00000
     11      12.4678      0.00000
     12      13.2899      0.00000

 k-point   248 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.4530      2.00000
      2       1.1036      2.00000
      3       3.6362      2.00000
      4       5.4804      1.99999
      5       7.0065      0.10575
      6       8.6502      0.00000
      7       9.0035      0.00000
      8       9.5397      0.00000
      9      11.2451      0.00000
     10      11.9174      0.00000
     11      12.0509      0.00000
     12      13.4788      0.00000

 k-point   249 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.2081      2.00000
      2       1.2833      2.00000
      3       2.6859      2.00000
      4       5.5633      1.99998
      5       6.2532      1.98101
      6       9.0695      0.00000
      7       9.3909      0.00000
      8      10.3891      0.00000
      9      10.5944      0.00000
     10      12.0039      0.00000
     11      12.6688      0.00000
     12      13.8482      0.00000

 k-point   250 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.8745      2.00000
      2       1.3289      2.00000
      3       2.0284      2.00000
      4       5.0943      2.00000
      5       6.2138      1.98716
      6       9.2541      0.00000
      7       9.5925      0.00000
      8       9.8170      0.00000
      9      11.7710      0.00000
     10      12.3058      0.00000
     11      12.8834      0.00000
     12      12.9823      0.00000

 k-point   251 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.4740      2.00000
      2       0.7904      2.00000
      3       2.1212      2.00000
      4       4.4405      2.00000
      5       6.5521      1.67991
      6       8.6668      0.00000
      7       9.8833      0.00000
      8      10.0849      0.00000
      9      11.8391      0.00000
     10      12.2476      0.00000
     11      12.9564      0.00000
     12      13.2154      0.00000

 k-point   252 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.1012      2.00000
      2       0.2591      2.00000
      3       2.3744      2.00000
      4       3.9813      2.00000
      5       6.9120      0.25115
      6       8.1227      0.00000
      7      10.1804      0.00000
      8      10.4344      0.00000
      9      11.3956      0.00000
     10      11.9115      0.00000
     11      13.0164      0.00000
     12      13.6255      0.00000

 k-point   253 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4842      2.00000
      2       1.0862      2.00000
      3       4.1792      2.00000
      4       5.4417      1.99999
      5       6.8443      0.44083
      6       8.0521      0.00000
      7       8.8340      0.00000
      8       9.7995      0.00000
      9      11.2901      0.00000
     10      11.7456      0.00000
     11      11.9674      0.00000
     12      13.5838      0.00000

 k-point   254 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4344      2.00000
      2       1.1295      2.00000
      3       4.1983      2.00000
      4       4.8336      2.00000
      5       7.2865      0.00676
      6       8.0774      0.00000
      7       8.5430      0.00000
      8      10.1519      0.00000
      9      11.1729      0.00000
     10      11.6022      0.00000
     11      12.0926      0.00000
     12      13.9786      0.00000

 k-point   255 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.2854      2.00000
      2       1.2558      2.00000
      3       3.7424      2.00000
      4       4.4162      2.00000
      5       7.1109      0.03854
      6       7.8441      0.00003
      7       9.4119      0.00000
      8      10.2626      0.00000
      9      10.5047      0.00000
     10      12.0307      0.00000
     11      12.6522      0.00000
     12      13.7905      0.00000

 k-point   256 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.0402      2.00000
      2       1.4433      2.00000
      3       2.8178      2.00000
      4       4.5749      2.00000
      5       6.2890      1.97295
      6       8.0375      0.00000
      7       9.3674      0.00000
      8      10.6214      0.00000
      9      10.9246      0.00000
     10      12.1720      0.00000
     11      13.0641      0.00000
     12      13.5982      0.00000

 k-point   257 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.7059      2.00000
      2       1.5029      2.00000
      3       2.1580      2.00000
      4       4.7156      2.00000
      5       5.6185      1.99997
      6       8.0934      0.00000
      7       8.7624      0.00000
      8      11.0519      0.00000
      9      11.9381      0.00000
     10      12.1043      0.00000
     11      12.9372      0.00000
     12      14.0123      0.00000

 k-point   258 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.3038      2.00000
      2       0.9536      2.00000
      3       2.2716      2.00000
      4       4.4445      2.00000
      5       5.5356      1.99999
      6       7.5997      0.00030
      7       8.8557      0.00000
      8      11.1520      0.00000
      9      11.6419      0.00000
     10      12.6045      0.00000
     11      13.6403      0.00000
     12      14.0614      0.00000

 k-point   259 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -0.9275      2.00000
      2       0.4160      2.00000
      3       2.5409      2.00000
      4       4.0395      2.00000
      5       5.7771      1.99984
      6       7.1274      0.03278
      7       9.0837      0.00000
      8      10.8278      0.00000
      9      11.8769      0.00000
     10      12.7207      0.00000
     11      13.2620      0.00000
     12      14.8988      0.00000

 k-point   260 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.2080      2.00000
      2       1.3183      2.00000
      3       3.1006      2.00000
      4       5.7119      1.99991
      5       6.2248      1.98568
      6       7.9076      0.00001
      7       9.1019      0.00000
      8      10.6616      0.00000
      9      10.8215      0.00000
     10      11.6515      0.00000
     11      12.2649      0.00000
     12      13.3205      0.00000

 k-point   261 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1580      2.00000
      2       1.3638      2.00000
      3       3.1378      2.00000
      4       5.0444      2.00000
      5       6.4658      1.85125
      6       8.3226      0.00000
      7       8.6667      0.00000
      8      10.1842      0.00000
      9      11.2522      0.00000
     10      11.8995      0.00000
     11      12.5161      0.00000
     12      13.5017      0.00000

 k-point   262 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.0088      2.00000
      2       1.4973      2.00000
      3       3.2284      2.00000
      4       4.0905      2.00000
      5       6.5921      1.55748
      6       7.6099      0.00027
      7       9.2243      0.00000
      8       9.7150      0.00000
      9      11.8289      0.00000
     10      12.2257      0.00000
     11      12.7624      0.00000
     12      13.3757      0.00000

 k-point   263 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.7629      2.00000
      2       1.7011      2.00000
      3       2.9706      2.00000
      4       3.5985      2.00000
      5       6.3423      1.95432
      6       7.0835      0.05037
      7       8.4155      0.00000
      8      11.0272      0.00000
      9      11.7629      0.00000
     10      12.1602      0.00000
     11      12.9705      0.00000
     12      14.1703      0.00000

 k-point   264 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.4272      2.00000
      2       1.7924      2.00000
      3       2.3528      2.00000
      4       3.7966      2.00000
      5       5.6217      1.99997
      6       6.9604      0.16262
      7       7.8611      0.00002
      8      10.9862      0.00000
      9      12.4138      0.00000
     10      12.5515      0.00000
     11      13.3737      0.00000
     12      14.8793      0.00000

 k-point   265 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.0221      2.00000
      2       1.2216      2.00000
      3       2.5142      2.00000
      4       4.0397      2.00000
      5       4.9698      2.00000
      6       6.5572      1.66613
      7       7.8388      0.00003
      8      10.3820      0.00000
      9      12.9406      0.00000
     10      13.1392      0.00000
     11      14.5174      0.00000
     12      14.6587      0.00000

 k-point   266 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.6393      2.00000
      2       0.6731      2.00000
      3       2.8151      2.00000
      4       4.0613      2.00000
      5       4.6973      2.00000
      6       6.1775      1.99105
      7       7.9824      0.00001
      8      10.0010      0.00000
      9      13.3119      0.00000
     10      13.4777      0.00000
     11      14.0807      0.00000
     12      15.6382      0.00000

 k-point   267 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.3271      2.00000
      2       0.1217      2.00000
      3       5.6373      1.99996
      4       6.4296      1.89401
      5       7.2701      0.00797
      6       7.8031      0.00004
      7       8.0397      0.00000
      8       8.5595      0.00000
      9       9.6503      0.00000
     10      12.3137      0.00000
     11      13.2868      0.00000
     12      14.6357      0.00000

 k-point   268 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.2763      2.00000
      2       0.1642      2.00000
      3       4.9871      2.00000
      4       6.4779      1.83378
      5       7.0636      0.06115
      6       7.9877      0.00001
      7       8.4546      0.00000
      8       8.6080      0.00000
      9      10.0439      0.00000
     10      12.4282      0.00000
     11      13.2803      0.00000
     12      13.5963      0.00000

 k-point   269 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.1245      2.00000
      2       0.2894      2.00000
      3       3.9606      2.00000
      4       6.1308      1.99438
      5       6.6222      1.44502
      6       8.7015      0.00000
      7       8.7529      0.00000
      8       9.2445      0.00000
      9      10.8397      0.00000
     10      12.4772      0.00000
     11      12.8253      0.00000
     12      13.2351      0.00000

 k-point   270 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       0.4891      2.00000
      3       2.9638      2.00000
      4       5.2325      2.00000
      5       6.8615      0.38440
      6       8.9850      0.00000
      7       8.9916      0.00000
      8      10.4353      0.00000
      9      11.4526      0.00000
     10      11.6636      0.00000
     11      13.0114      0.00000
     12      13.6189      0.00000

 k-point   271 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.5313      2.00000
      2       0.7348      2.00000
      3       2.0718      2.00000
      4       4.4235      2.00000
      5       7.1920      0.01731
      6       9.3159      0.00000
      7       9.3202      0.00000
      8      10.5337      0.00000
      9      11.1699      0.00000
     10      12.5523      0.00000
     11      12.7933      0.00000
     12      12.8496      0.00000

 k-point   272 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.1142      2.00000
      2       0.8512      2.00000
      3       1.4576      2.00000
      4       3.7534      2.00000
      5       7.6013      0.00029
      6       9.6302      0.00000
      7       9.7073      0.00000
      8       9.8094      0.00000
      9      11.3326      0.00000
     10      12.0529      0.00000
     11      12.1871      0.00000
     12      14.0469      0.00000

 k-point   273 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.7093      2.00000
      2       0.4796      2.00000
      3       1.4738      2.00000
      4       3.3264      2.00000
      5       8.0182      0.00000
      6       9.0995      0.00000
      7      10.0656      0.00000
      8      10.0925      0.00000
      9      11.1007      0.00000
     10      11.4842      0.00000
     11      12.0974      0.00000
     12      14.3594      0.00000

 k-point   274 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2702      2.00000
      2       0.1716      2.00000
      3       5.6915      1.99993
      4       5.6993      1.99992
      5       7.1682      0.02192
      6       7.8579      0.00002
      7       8.0787      0.00000
      8       8.7560      0.00000
      9      10.2179      0.00000
     10      12.6056      0.00000
     11      13.2754      0.00000
     12      13.5838      0.00000

 k-point   275 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2194      2.00000
      2       0.2143      2.00000
      3       5.0331      2.00000
      4       5.7394      1.99989
      5       7.1771      0.02006
      6       7.7104      0.00010
      7       8.4503      0.00000
      8       9.1017      0.00000
      9      10.5169      0.00000
     10      12.6117      0.00000
     11      12.8150      0.00000
     12      13.4864      0.00000

 k-point   276 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.0677      2.00000
      2       0.3403      2.00000
      3       4.0092      2.00000
      4       5.7590      1.99986
      5       6.3810      1.93349
      6       8.0906      0.00000
      7       9.3725      0.00000
      8       9.5713      0.00000
      9      11.2596      0.00000
     10      11.7321      0.00000
     11      13.0145      0.00000
     12      13.4356      0.00000

 k-point   277 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.8173      2.00000
      2       0.5413      2.00000
      3       3.0141      2.00000
      4       5.2101      2.00000
      5       6.2684      1.97792
      6       8.3608      0.00000
      7       9.7388      0.00000
      8      10.7397      0.00000
      9      10.8354      0.00000
     10      12.0242      0.00000
     11      13.0610      0.00000
     12      13.5169      0.00000

 k-point   278 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.4744      2.00000
      2       0.7895      2.00000
      3       2.1225      2.00000
      4       4.4411      2.00000
      5       6.5518      1.68092
      6       8.6659      0.00000
      7       9.8844      0.00000
      8      10.0846      0.00000
      9      11.8407      0.00000
     10      12.2491      0.00000
     11      12.9613      0.00000
     12      13.2135      0.00000

 k-point   279 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.0571      2.00000
      2       0.9095      2.00000
      3       1.5080      2.00000
      4       3.7793      2.00000
      5       6.9386      0.19830
      6       8.8739      0.00000
      7       9.2628      0.00000
      8      10.4516      0.00000
      9      11.5515      0.00000
     10      12.1601      0.00000
     11      12.8907      0.00000
     12      14.1112      0.00000

 k-point   280 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.6515      2.00000
      2       0.5351      2.00000
      3       1.5301      2.00000
      4       3.3523      2.00000
      5       7.3276      0.00449
      6       8.4527      0.00000
      7       9.3994      0.00000
      8      10.7956      0.00000
      9      11.0609      0.00000
     10      11.9430      0.00000
     11      12.8788      0.00000
     12      14.5375      0.00000

 k-point   281 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.1002      2.00000
      2       0.3197      2.00000
      3       4.5658      2.00000
      4       5.8537      1.99965
      5       6.5174      1.76280
      6       7.8942      0.00002
      7       8.0218      0.00000
      8       9.6779      0.00000
      9      11.2073      0.00000
     10      12.3468      0.00000
     11      13.1470      0.00000
     12      13.4215      0.00000

 k-point   282 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0494      2.00000
      2       0.3631      2.00000
      3       4.5996      2.00000
      4       5.1850      2.00000
      5       6.6747      1.21301
      6       7.5211      0.00065
      7       8.5467      0.00000
      8      10.1369      0.00000
      9      11.3487      0.00000
     10      11.6753      0.00000
     11      13.3566      0.00000
     12      13.5108      0.00000

 k-point   283 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.8977      2.00000
      2       0.4913      2.00000
      3       4.1432      2.00000
      4       4.7359      2.00000
      5       6.3046      1.96845
      6       7.2440      0.01033
      7       9.7372      0.00000
      8      10.6387      0.00000
      9      10.7527      0.00000
     10      11.9726      0.00000
     11      12.9480      0.00000
     12      13.5534      0.00000

 k-point   284 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.6473      2.00000
      2       0.6967      2.00000
      3       3.1619      2.00000
      4       4.8131      2.00000
      5       5.6429      1.99996
      6       7.3771      0.00274
      7       9.7036      0.00000
      8      11.0586      0.00000
      9      11.1603      0.00000
     10      12.1542      0.00000
     11      12.9000      0.00000
     12      13.8462      0.00000

 k-point   285 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.3042      2.00000
      2       0.9526      2.00000
      3       2.2729      2.00000
      4       4.4450      2.00000
      5       5.5352      1.99999
      6       7.5990      0.00030
      7       8.8567      0.00000
      8      11.1523      0.00000
      9      11.6421      0.00000
     10      12.6102      0.00000
     11      13.6414      0.00000
     12      14.0556      0.00000

 k-point   286 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.8862      2.00000
      2       1.0841      2.00000
      3       1.6575      2.00000
      4       3.8464      2.00000
      5       5.8448      1.99968
      6       7.7050      0.00010
      7       8.2757      0.00000
      8      10.6181      0.00000
      9      11.9494      0.00000
     10      13.4816      0.00000
     11      14.0707      0.00000
     12      14.3498      0.00000

 k-point   287 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.4784      2.00000
      2       0.7009      2.00000
      3       1.6987      2.00000
      4       3.4253      2.00000
      5       6.1922      1.98964
      6       7.3664      0.00305
      7       8.2816      0.00000
      8      10.2322      0.00000
      9      12.3084      0.00000
     10      13.2694      0.00000
     11      14.2515      0.00000
     12      14.7263      0.00000

 k-point   288 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.8192      2.00000
      2       0.5597      2.00000
      3       3.4607      2.00000
      4       5.5945      1.99997
      5       6.1231      1.99479
      6       8.0853      0.00000
      7       8.2928      0.00000
      8      10.2255      0.00000
      9      11.2051      0.00000
     10      12.5500      0.00000
     11      12.7149      0.00000
     12      13.5675      0.00000

 k-point   289 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7684      2.00000
      2       0.6044      2.00000
      3       3.5030      2.00000
      4       5.2829      2.00000
      5       5.8929      1.99948
      6       7.7564      0.00006
      7       8.7835      0.00000
      8      10.4928      0.00000
      9      10.9006      0.00000
     10      12.5566      0.00000
     11      13.0233      0.00000
     12      13.2992      0.00000

 k-point   290 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.6166      2.00000
      2       0.7369      2.00000
      3       3.6212      2.00000
      4       4.3937      2.00000
      5       5.8084      1.99978
      6       6.9858      0.12849
      7       9.5882      0.00000
      8      10.0185      0.00000
      9      11.8159      0.00000
     10      12.0319      0.00000
     11      12.9783      0.00000
     12      13.8907      0.00000

 k-point   291 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.3661      2.00000
      2       0.9501      2.00000
      3       3.3796      2.00000
      4       3.8690      2.00000
      5       5.5121      1.99999
      6       6.5507      1.68385
      7       8.6626      0.00000
      8      11.0218      0.00000
      9      11.5856      0.00000
     10      12.6334      0.00000
     11      13.6636      0.00000
     12      14.2042      0.00000

 k-point   292 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.0225      2.00000
      2       1.2205      2.00000
      3       2.5156      2.00000
      4       4.0396      2.00000
      5       4.9699      2.00000
      6       6.5568      1.66717
      7       7.8398      0.00003
      8      10.3826      0.00000
      9      12.9464      0.00000
     10      13.1399      0.00000
     11      14.5094      0.00000
     12      14.6614      0.00000

 k-point   293 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.6031      2.00000
      2       1.3745      2.00000
      3       1.8993      2.00000
      4       3.8826      2.00000
      5       4.8377      2.00000
      6       6.5646      1.64491
      7       7.2741      0.00766
      8       9.8057      0.00000
      9      13.5022      0.00000
     10      14.3364      0.00000
     11      14.9912      0.00000
     12      15.1850      0.00000

 k-point   294 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.1912      2.00000
      2       0.9742      2.00000
      3       1.9774      2.00000
      4       3.5274      2.00000
      5       5.0751      2.00000
      6       6.2925      1.97200
      7       7.1755      0.02038
      8       9.4635      0.00000
      9      13.9013      0.00000
     10      14.6547      0.00000
     11      15.0430      0.00000
     12      15.7427      0.00000

 k-point   295 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.4322      2.00000
      2       0.8708      2.00000
      3       2.4562      2.00000
      4       4.7013      2.00000
      5       6.4968      1.80262
      6       8.4214      0.00000
      7       8.6647      0.00000
      8      10.1754      0.00000
      9      10.5145      0.00000
     10      12.0554      0.00000
     11      12.5195      0.00000
     12      13.9395      0.00000

 k-point   296 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.3813      2.00000
      2       0.9180      2.00000
      3       2.5004      2.00000
      4       4.6900      2.00000
      5       5.9492      1.99908
      6       8.0934      0.00000
      7       9.1116      0.00000
      8       9.5816      0.00000
      9      11.1795      0.00000
     10      12.0326      0.00000
     11      12.7001      0.00000
     12      14.0215      0.00000

 k-point   297 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.2294      2.00000
      2       1.0582      2.00000
      3       2.6307      2.00000
      4       4.4829      2.00000
      5       5.2320      2.00000
      6       7.1706      0.02141
      7       8.6414      0.00000
      8      10.3159      0.00000
      9      11.1874      0.00000
     10      12.4743      0.00000
     11      13.7052      0.00000
     12      14.2734      0.00000

 k-point   298 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.9785      2.00000
      2       1.2857      2.00000
      3       2.8343      2.00000
      4       3.7364      2.00000
      5       5.0647      2.00000
      6       6.2921      1.97209
      7       7.7341      0.00008
      8      10.2650      0.00000
      9      11.9007      0.00000
     10      13.7042      0.00000
     11      14.3324      0.00000
     12      14.8414      0.00000

 k-point   299 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.6339      2.00000
      2       1.5815      2.00000
      3       2.7989      2.00000
      4       3.1975      2.00000
      5       4.8929      2.00000
      6       5.6972      1.99993
      7       6.9385      0.19841
      8       9.6058      0.00000
      9      13.3951      0.00000
     10      14.5052      0.00000
     11      15.0463      0.00000
     12      15.3741      0.00000

 k-point   300 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.2119      2.00000
      2       1.7796      2.00000
      3       2.2146      2.00000
      4       3.4542      2.00000
      5       4.4081      2.00000
      6       5.5087      1.99999
      7       6.3658      1.94259
      8       9.0873      0.00000
      9      14.7741      0.00000
     10      15.0315      0.00000
     11      15.6051      0.00000
     12      16.1119      0.00000

 k-point   301 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1       0.2071      2.00000
      2       1.3483      2.00000
      3       2.3612      2.00000
      4       3.5768      2.00000
      5       4.0959      2.00000
      6       5.3254      2.00000
      7       6.1535      1.99295
      8       8.7954      0.00000
      9      15.2988      0.00000
     10      15.5487      0.00000
     11      16.0177      0.00000
     12      16.8442      0.00000

 k-point   302 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9911      2.00000
      2      -0.4082      2.00000
      3       6.0537      1.99740
      4       6.8502      0.42080
      5       7.1860      0.01838
      6       7.5829      0.00035
      7       7.9401      0.00001
      8       8.1487      0.00000
      9       9.1183      0.00000
     10      12.2120      0.00000
     11      14.8926      0.00000
     12      14.9304      0.00000

 k-point   303 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9386      2.00000
      2      -0.3670      2.00000
      3       5.3668      2.00000
      4       6.5481      1.69077
      5       6.8981      0.28338
      6       7.9891      0.00001
      7       8.2942      0.00000
      8       8.6611      0.00000
      9       9.3607      0.00000
     10      12.3178      0.00000
     11      13.9281      0.00000
     12      14.8717      0.00000

 k-point   304 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.7813      2.00000
      2      -0.2450      2.00000
      3       4.3054      2.00000
      4       5.6228      1.99996
      5       7.0414      0.07575
      6       8.1354      0.00000
      7       8.9269      0.00000
      8       9.5458      0.00000
      9      10.2035      0.00000
     10      12.6742      0.00000
     11      12.8233      0.00000
     12      14.2717      0.00000

 k-point   305 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.5207      2.00000
      2      -0.0487      2.00000
      3       3.2718      2.00000
      4       4.7411      2.00000
      5       7.2792      0.00728
      6       8.3766      0.00000
      7       9.2469      0.00000
      8      10.3751      0.00000
      9      11.4649      0.00000
     10      11.8075      0.00000
     11      13.2248      0.00000
     12      13.3137      0.00000

 k-point   306 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.1601      2.00000
      2       0.2060      2.00000
      3       2.3197      2.00000
      4       3.9590      2.00000
      5       7.6083      0.00027
      6       8.7054      0.00000
      7       9.6178      0.00000
      8      10.8462      0.00000
      9      10.8928      0.00000
     10      12.2867      0.00000
     11      12.8157      0.00000
     12      12.9978      0.00000

 k-point   307 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.7098      2.00000
      2       0.4795      2.00000
      3       1.4743      2.00000
      4       3.3268      2.00000
      5       8.0177      0.00000
      6       9.0994      0.00000
      7      10.0650      0.00000
      8      10.0927      0.00000
      9      11.1011      0.00000
     10      11.4849      0.00000
     11      12.0977      0.00000
     12      14.3639      0.00000

 k-point   308 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.2302      2.00000
      2       0.6405      2.00000
      3       0.8405      2.00000
      4       2.9411      2.00000
      5       8.4421      0.00000
      6       9.4358      0.00000
      7       9.4993      0.00000
      8      10.5463      0.00000
      9      10.9176      0.00000
     10      11.1859      0.00000
     11      11.4868      0.00000
     12      14.4053      0.00000

 k-point   309 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.9327      2.00000
      2      -0.3596      2.00000
      3       6.0964      1.99601
      4       6.1075      1.99555
      5       7.0584      0.06430
      6       7.2413      0.01062
      7       7.8079      0.00004
      8       8.8523      0.00000
      9       9.8356      0.00000
     10      12.4700      0.00000
     11      13.9074      0.00000
     12      14.7710      0.00000

 k-point   310 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8802      2.00000
      2      -0.3181      2.00000
      3       5.4156      2.00000
      4       6.1211      1.99490
      5       6.5625      1.65107
      6       7.4011      0.00216
      7       8.5217      0.00000
      8       9.2733      0.00000
      9       9.9629      0.00000
     10      12.5296      0.00000
     11      13.1741      0.00000
     12      14.6687      0.00000

 k-point   311 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.7230      2.00000
      2      -0.1955      2.00000
      3       4.3582      2.00000
      4       5.6005      1.99997
      5       6.3542      1.94868
      6       7.5922      0.00032
      7       9.6263      0.00000
      8       9.9093      0.00000
      9      10.5437      0.00000
     10      12.0992      0.00000
     11      12.7464      0.00000
     12      13.8492      0.00000

 k-point   312 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.4625      2.00000
      2       0.0020      2.00000
      3       3.3266      2.00000
      4       4.7540      2.00000
      5       6.5797      1.59865
      6       7.8263      0.00003
      7      10.0444      0.00000
      8      10.8974      0.00000
      9      11.1420      0.00000
     10      11.5736      0.00000
     11      12.5340      0.00000
     12      13.7439      0.00000

 k-point   313 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.1021      2.00000
      2       0.2587      2.00000
      3       2.3755      2.00000
      4       3.9823      2.00000
      5       6.9111      0.25319
      6       8.1224      0.00000
      7      10.1812      0.00000
      8      10.4337      0.00000
      9      11.3961      0.00000
     10      11.9134      0.00000
     11      13.0236      0.00000
     12      13.6264      0.00000

 k-point   314 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.6520      2.00000
      2       0.5350      2.00000
      3       1.5306      2.00000
      4       3.3527      2.00000
      5       7.3270      0.00452
      6       8.4528      0.00000
      7       9.3996      0.00000
      8      10.7953      0.00000
      9      11.0610      0.00000
     10      11.9437      0.00000
     11      12.8790      0.00000
     12      14.5455      0.00000

 k-point   315 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.1725      2.00000
      2       0.6989      2.00000
      3       0.8974      2.00000
      4       2.9660      2.00000
      5       7.7636      0.00006
      6       8.6803      0.00000
      7       8.8128      0.00000
      8      10.5488      0.00000
      9      11.3461      0.00000
     10      12.0304      0.00000
     11      12.2907      0.00000
     12      14.8455      0.00000

 k-point   316 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7578      2.00000
      2      -0.2153      2.00000
      3       4.9377      2.00000
      4       6.0691      1.99696
      5       6.2685      1.97790
      6       7.4066      0.00204
      7       7.9864      0.00001
      8       9.5005      0.00000
      9      11.1983      0.00000
     10      12.6886      0.00000
     11      13.2031      0.00000
     12      14.1092      0.00000

 k-point   317 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7054      2.00000
      2      -0.1731      2.00000
      3       4.9779      2.00000
      4       5.5524      1.99998
      5       6.0557      1.99734
      6       7.0882      0.04812
      7       8.7366      0.00000
      8       9.9846      0.00000
      9      11.2587      0.00000
     10      12.0150      0.00000
     11      13.0610      0.00000
     12      13.8826      0.00000

 k-point   318 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.5485      2.00000
      2      -0.0484      2.00000
      3       4.5096      2.00000
      4       5.0902      2.00000
      5       5.6221      1.99997
      6       6.8509      0.41841
      7      10.0289      0.00000
      8      10.8565      0.00000
      9      11.0346      0.00000
     10      11.4948      0.00000
     11      12.4066      0.00000
     12      13.8778      0.00000

 k-point   319 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.2884      2.00000
      2       0.1528      2.00000
      3       3.4892      2.00000
      4       4.7448      2.00000
      5       5.4705      1.99999
      6       6.9247      0.22460
      7       9.9893      0.00000
      8      11.3260      0.00000
      9      11.5893      0.00000
     10      11.6401      0.00000
     11      12.2159      0.00000
     12      14.2520      0.00000

 k-point   320 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.9284      2.00000
      2       0.4155      2.00000
      3       2.5420      2.00000
      4       4.0405      2.00000
      5       5.7762      1.99984
      6       7.1273      0.03282
      7       9.0846      0.00000
      8      10.8288      0.00000
      9      11.8760      0.00000
     10      12.7239      0.00000
     11      13.2680      0.00000
     12      14.9016      0.00000

 k-point   321 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.4789      2.00000
      2       0.7007      2.00000
      3       1.6991      2.00000
      4       3.4258      2.00000
      5       6.1916      1.98970
      6       7.3665      0.00304
      7       8.2819      0.00000
      8      10.2327      0.00000
      9      12.3078      0.00000
     10      13.2703      0.00000
     11      14.2516      0.00000
     12      14.7335      0.00000

 k-point   322 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1       0.0001      2.00000
      2       0.8738      2.00000
      3       1.0676      2.00000
      4       3.0379      2.00000
      5       6.6332      1.39992
      6       7.5084      0.00074
      7       7.6864      0.00012
      8       9.8710      0.00000
      9      12.7650      0.00000
     10      13.4629      0.00000
     11      13.6925      0.00000
     12      15.8751      0.00000

 k-point   323 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4678      2.00000
      2       0.0194      2.00000
      3       3.8019      2.00000
      4       5.0985      2.00000
      5       6.5361      1.72070
      6       7.6800      0.00013
      7       8.2724      0.00000
      8       9.9066      0.00000
      9      11.5575      0.00000
     10      12.7537      0.00000
     11      13.0147      0.00000
     12      13.1863      0.00000

 k-point   324 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4155      2.00000
      2       0.0628      2.00000
      3       3.8496      2.00000
      4       5.0739      2.00000
      5       5.9086      1.99939
      6       7.2559      0.00918
      7       9.0231      0.00000
      8      10.4063      0.00000
      9      10.9311      0.00000
     10      12.4615      0.00000
     11      12.8541      0.00000
     12      13.8733      0.00000

 k-point   325 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2589      2.00000
      2       0.1913      2.00000
      3       3.9877      2.00000
      4       4.7148      2.00000
      5       5.1550      2.00000
      6       6.5896      1.56617
      7       9.8765      0.00000
      8      10.3377      0.00000
      9      11.2625      0.00000
     10      11.8636      0.00000
     11      13.0078      0.00000
     12      14.8069      0.00000

 k-point   326 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.9994      2.00000
      2       0.3992      2.00000
      3       3.7482      2.00000
      4       4.2028      2.00000
      5       4.8007      2.00000
      6       6.2043      1.98831
      7       8.8956      0.00000
      8      10.6805      0.00000
      9      11.8220      0.00000
     10      12.7529      0.00000
     11      13.3157      0.00000
     12      15.1332      0.00000

 k-point   327 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.6403      2.00000
      2       0.6726      2.00000
      3       2.8162      2.00000
      4       4.0620      2.00000
      5       4.6965      2.00000
      6       6.1776      1.99104
      7       7.9833      0.00001
      8      10.0020      0.00000
      9      13.3174      0.00000
     10      13.4791      0.00000
     11      14.0841      0.00000
     12      15.6407      0.00000

 k-point   328 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.1918      2.00000
      2       0.9740      2.00000
      3       1.9779      2.00000
      4       3.5278      2.00000
      5       5.0745      2.00000
      6       6.2927      1.97194
      7       7.1758      0.02032
      8       9.4639      0.00000
      9      13.9007      0.00000
     10      14.6577      0.00000
     11      15.0487      0.00000
     12      15.7422      0.00000

 k-point   329 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.2864      2.00000
      2       1.1647      2.00000
      3       1.3494      2.00000
      4       3.1464      2.00000
      5       5.5112      1.99999
      6       6.3651      1.94295
      7       6.5717      1.62380
      8       9.1564      0.00000
      9      14.3600      0.00000
     10      15.0127      0.00000
     11      15.2372      0.00000
     12      16.2073      0.00000

 k-point   330 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0656      2.00000
      2       0.3308      2.00000
      3       2.7506      2.00000
      4       4.2153      2.00000
      5       6.9078      0.26055
      6       8.0559      0.00000
      7       8.6655      0.00000
      8      10.1735      0.00000
      9      10.5343      0.00000
     10      11.9573      0.00000
     11      12.2427      0.00000
     12      14.1877      0.00000

 k-point   331 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0134      2.00000
      2       0.3761      2.00000
      3       2.8001      2.00000
      4       4.2267      2.00000
      5       6.2667      1.97830
      6       7.5686      0.00040
      7       9.4017      0.00000
      8       9.8912      0.00000
      9      10.6787      0.00000
     10      11.6480      0.00000
     11      12.9599      0.00000
     12      14.4815      0.00000

 k-point   332 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.8573      2.00000
      2       0.5106      2.00000
      3       2.9474      2.00000
      4       4.2390      2.00000
      5       5.2460      2.00000
      6       6.7273      0.95346
      7       8.8751      0.00000
      8      10.5031      0.00000
      9      10.8206      0.00000
     10      12.1230      0.00000
     11      14.1937      0.00000
     12      14.6698      0.00000

 k-point   333 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.5986      2.00000
      2       0.7294      2.00000
      3       3.1872      2.00000
      4       4.0235      2.00000
      5       4.4364      2.00000
      6       5.9568      1.99901
      7       7.8813      0.00002
      8       9.8938      0.00000
      9      12.2079      0.00000
     10      13.3830      0.00000
     11      14.8867      0.00000
     12      15.5547      0.00000

 k-point   334 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.2406      2.00000
      2       1.0200      2.00000
      3       3.1828      2.00000
      4       3.5065      2.00000
      5       4.1685      2.00000
      6       5.4678      1.99999
      7       6.9643      0.15687
      8       9.2700      0.00000
      9      13.7497      0.00000
     10      14.7064      0.00000
     11      15.2525      0.00000
     12      16.4902      0.00000

 k-point   335 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.2066      2.00000
      2       1.3481      2.00000
      3       2.3617      2.00000
      4       3.5771      2.00000
      5       4.0954      2.00000
      6       5.3257      2.00000
      7       6.1538      1.99293
      8       8.7957      0.00000
      9      15.3060      0.00000
     10      15.5483      0.00000
     11      16.0213      0.00000
     12      16.8370      0.00000

 k-point   336 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.6837      2.00000
      2       1.5703      2.00000
      3       1.7384      2.00000
      4       3.2704      2.00000
      5       4.4751      2.00000
      6       5.3069      2.00000
      7       5.5407      1.99998
      8       8.5352      0.00000
      9      16.0228      0.00000
     10      16.5001      0.00000
     11      16.6057      0.00000
     12      16.7897      0.00000

 k-point   337 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.5599      2.00000
      2       0.6805      2.00000
      3       1.8105      2.00000
      4       3.4746      2.00000
      5       7.3748      0.00280
      6       8.5151      0.00000
      7       9.1582      0.00000
      8       9.6322      0.00000
      9      10.3502      0.00000
     10      11.0425      0.00000
     11      11.3871      0.00000
     12      13.9632      0.00000

 k-point   338 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.5080      2.00000
      2       0.7290      2.00000
      3       1.8608      2.00000
      4       3.4938      2.00000
      5       6.7362      0.90892
      6       7.9453      0.00001
      7       8.9901      0.00000
      8       9.8796      0.00000
      9      10.5234      0.00000
     10      11.2325      0.00000
     11      12.1180      0.00000
     12      14.3707      0.00000

 k-point   339 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.3525      2.00000
      2       0.8734      2.00000
      3       2.0111      2.00000
      4       3.5462      2.00000
      5       5.7038      1.99992
      6       6.9816      0.13367
      7       7.9772      0.00001
      8       9.9117      0.00000
      9      11.2282      0.00000
     10      12.4056      0.00000
     11      13.3823      0.00000
     12      15.3141      0.00000

 k-point   340 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.0948      2.00000
      2       1.1099      2.00000
      3       2.2590      2.00000
      4       3.6100      2.00000
      5       4.6998      2.00000
      6       6.0324      1.99789
      7       6.9790      0.13687
      8       9.2739      0.00000
      9      12.6810      0.00000
     10      13.7893      0.00000
     11      14.7831      0.00000
     12      16.3405      0.00000

 k-point   341 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.2619      2.00000
      2       1.4289      2.00000
      3       2.5979      2.00000
      4       3.5246      2.00000
      5       3.9150      2.00000
      6       5.1930      2.00000
      7       6.0595      1.99724
      8       8.7126      0.00000
      9      14.2222      0.00000
     10      15.2403      0.00000
     11      16.2104      0.00000
     12      16.7027      0.00000

 k-point   342 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.7075      2.00000
      2       1.8025      2.00000
      3       2.8279      2.00000
      4       3.0145      2.00000
      5       3.7425      2.00000
      6       4.5767      2.00000
      7       5.2488      2.00000
      8       8.2976      0.00000
      9      15.7795      0.00000
     10      16.6282      0.00000
     11      17.0623      0.00000
     12      17.5300      0.00000

 k-point   343 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       1.1833      2.00000
      2       2.0879      2.00000
      3       2.2203      2.00000
      4       3.3216      2.00000
      5       3.6124      2.00000
      6       4.3502      2.00000
      7       4.6235      2.00000
      8       8.0752      0.00000
      9      17.0215      0.00000
     10      17.4917      0.00000
     11      17.6977      0.00000
     12      17.9937      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.189   5.267  -0.000  -0.000  -0.000
  5.267  22.337  -0.000  -0.000  -0.000
 -0.000  -0.000  -0.265  -0.000  -0.000
 -0.000  -0.000  -0.000  -0.265   0.000
 -0.000  -0.000  -0.000   0.000  -0.265
 total augmentation occupancy for first ion, spin component:           1
  1.152  -0.024   0.000   0.000   0.000
 -0.024   0.001   0.000   0.000   0.000
  0.000   0.000   0.106   0.000   0.000
  0.000   0.000   0.000   0.101   0.000
  0.000   0.000   0.000   0.000   0.101


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1692: real time    0.1692
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3407: real time    0.3408
    STRESS:  cpu time    4.1186: real time    4.1189
    FORCOR:  cpu time    0.0438: real time    0.0438
    FORHAR:  cpu time    0.0125: real time    0.0125
    MIXING:  cpu time    0.0052: real time    0.0052
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11919    -0.11919    -0.11919
  Ewald     -74.03356   -72.69869   -74.04673     0.00000     0.00000     0.00000
  Hartree     0.91282     1.46484     0.90912    -0.00000    -0.00000    -0.00000
  E(xc)     -27.86650   -27.87372   -27.86611    -0.00000    -0.00000     0.00000
  Local      -2.92690    -4.27325    -2.91221     0.00000     0.00000     0.00000
  n-local    59.91023    59.91626    59.90628     0.33445     0.33393     0.29525
  augment    -2.96828    -2.98812    -2.96798     0.00000    -0.00000     0.00000
  Kinetic    47.91798    49.31115    47.91022    -3.93104    -3.92598    -3.20866
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.82659     2.73928     0.81341     0.00000     0.00000     0.00000
  in kB      21.35661    70.77475    21.01609     0.00000     0.00000     0.00000
  external pressure =       37.72 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       62.01
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  3.825490533  0.000000000     0.000000000  0.261404385  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  3.825490533  4.026832140     0.248417074  0.261404385  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.370E-15 0.293E-16 -.655E-16   0.607E-16 -.446E-16 -.415E-17   0.423E-25 -.151E-26 0.356E-27   -.167E-16 -.640E-17 -.187E-17
   -.266E-14 -.211E-13 0.336E-13   0.638E-15 0.995E-15 -.310E-15   -.105E-23 0.609E-25 -.394E-25   0.765E-16 0.696E-16 0.792E-17
   -.469E-14 -.637E-15 -.845E-13   0.739E-15 -.594E-15 -.216E-15   0.230E-23 0.800E-24 0.145E-24   0.187E-15 -.553E-16 0.548E-17
   -.140E-14 -.292E-14 -.266E-14   -.141E-14 -.110E-15 0.392E-15   0.949E-24 0.205E-24 0.148E-24   -.156E-15 0.417E-16 0.214E-16
 -----------------------------------------------------------------------------------------------
   -.913E-14 -.246E-13 -.537E-13   0.322E-16 0.247E-15 -.139E-15   0.224E-23 0.106E-23 0.254E-24   0.906E-16 0.497E-16 0.329E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000     -0.000000     -0.000000
      2.01274      1.91275      0.00000         0.000000      0.000000      0.000000
      2.01274      0.00000      2.01342        -0.000000      0.000000     -0.000000
      0.00000      1.91275      2.01342        -0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.48331489 eV

  energy  without entropy=      -13.44209481  energy(sigma->0) =      -13.46270485
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.1290135E-01 0.129E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.7246431E+01-0.725E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0577: real time    0.0578


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   2/ 13
  Displacement:        2/  2
  Total:               4/ 26
  LATTYP: Found a simple orthorhombic cell.
 ALAT       =     4.0254882003
 B/A-ratio  =     1.0003338576
 C/A-ratio  =     1.0503505505
  
  Lattice vectors:
  
 A1 = (   4.0254882003,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   4.2281737473)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry D_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The dynamic configuration has the point symmetry D_2h.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   179.999999     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   179.999999     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.000000  0.000000  0.076923      2.000000
  0.076923  0.000000  0.076923      4.000000
  0.153846  0.000000  0.076923      4.000000
  0.230769  0.000000  0.076923      4.000000
  0.307692  0.000000  0.076923      4.000000
  0.384615  0.000000  0.076923      4.000000
  0.461538  0.000000  0.076923      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.076923  0.384615  0.076923      8.000000
  0.153846  0.384615  0.076923      8.000000
  0.230769  0.384615  0.076923      8.000000
  0.307692  0.384615  0.076923      8.000000
  0.384615  0.384615  0.076923      8.000000
  0.461538  0.384615  0.076923      8.000000
  0.000000  0.461538  0.076923      4.000000
  0.076923  0.461538  0.076923      8.000000
  0.153846  0.461538  0.076923      8.000000
  0.230769  0.461538  0.076923      8.000000
  0.307692  0.461538  0.076923      8.000000
  0.384615  0.461538  0.076923      8.000000
  0.461538  0.461538  0.076923      8.000000
  0.000000  0.000000  0.153846      2.000000
  0.076923  0.000000  0.153846      4.000000
  0.153846  0.000000  0.153846      4.000000
  0.230769  0.000000  0.153846      4.000000
  0.307692  0.000000  0.153846      4.000000
  0.384615  0.000000  0.153846      4.000000
  0.461538  0.000000  0.153846      4.000000
  0.000000  0.076923  0.153846      4.000000
  0.076923  0.076923  0.153846      8.000000
  0.153846  0.076923  0.153846      8.000000
  0.230769  0.076923  0.153846      8.000000
  0.307692  0.076923  0.153846      8.000000
  0.384615  0.076923  0.153846      8.000000
  0.461538  0.076923  0.153846      8.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      4.000000
  0.076923  0.230769  0.153846      8.000000
  0.153846  0.230769  0.153846      8.000000
  0.230769  0.230769  0.153846      8.000000
  0.307692  0.230769  0.153846      8.000000
  0.384615  0.230769  0.153846      8.000000
  0.461538  0.230769  0.153846      8.000000
  0.000000  0.307692  0.153846      4.000000
  0.076923  0.307692  0.153846      8.000000
  0.153846  0.307692  0.153846      8.000000
  0.230769  0.307692  0.153846      8.000000
  0.307692  0.307692  0.153846      8.000000
  0.384615  0.307692  0.153846      8.000000
  0.461538  0.307692  0.153846      8.000000
  0.000000  0.384615  0.153846      4.000000
  0.076923  0.384615  0.153846      8.000000
  0.153846  0.384615  0.153846      8.000000
  0.230769  0.384615  0.153846      8.000000
  0.307692  0.384615  0.153846      8.000000
  0.384615  0.384615  0.153846      8.000000
  0.461538  0.384615  0.153846      8.000000
  0.000000  0.461538  0.153846      4.000000
  0.076923  0.461538  0.153846      8.000000
  0.153846  0.461538  0.153846      8.000000
  0.230769  0.461538  0.153846      8.000000
  0.307692  0.461538  0.153846      8.000000
  0.384615  0.461538  0.153846      8.000000
  0.461538  0.461538  0.153846      8.000000
  0.000000  0.000000  0.230769      2.000000
  0.076923  0.000000  0.230769      4.000000
  0.153846  0.000000  0.230769      4.000000
  0.230769  0.000000  0.230769      4.000000
  0.307692  0.000000  0.230769      4.000000
  0.384615  0.000000  0.230769      4.000000
  0.461538  0.000000  0.230769      4.000000
  0.000000  0.076923  0.230769      4.000000
  0.076923  0.076923  0.230769      8.000000
  0.153846  0.076923  0.230769      8.000000
  0.230769  0.076923  0.230769      8.000000
  0.307692  0.076923  0.230769      8.000000
  0.384615  0.076923  0.230769      8.000000
  0.461538  0.076923  0.230769      8.000000
  0.000000  0.153846  0.230769      4.000000
  0.076923  0.153846  0.230769      8.000000
  0.153846  0.153846  0.230769      8.000000
  0.230769  0.153846  0.230769      8.000000
  0.307692  0.153846  0.230769      8.000000
  0.384615  0.153846  0.230769      8.000000
  0.461538  0.153846  0.230769      8.000000
  0.000000  0.230769  0.230769      4.000000
  0.076923  0.230769  0.230769      8.000000
  0.153846  0.230769  0.230769      8.000000
  0.230769  0.230769  0.230769      8.000000
  0.307692  0.230769  0.230769      8.000000
  0.384615  0.230769  0.230769      8.000000
  0.461538  0.230769  0.230769      8.000000
  0.000000  0.307692  0.230769      4.000000
  0.076923  0.307692  0.230769      8.000000
  0.153846  0.307692  0.230769      8.000000
  0.230769  0.307692  0.230769      8.000000
  0.307692  0.307692  0.230769      8.000000
  0.384615  0.307692  0.230769      8.000000
  0.461538  0.307692  0.230769      8.000000
  0.000000  0.384615  0.230769      4.000000
  0.076923  0.384615  0.230769      8.000000
  0.153846  0.384615  0.230769      8.000000
  0.230769  0.384615  0.230769      8.000000
  0.307692  0.384615  0.230769      8.000000
  0.384615  0.384615  0.230769      8.000000
  0.461538  0.384615  0.230769      8.000000
  0.000000  0.461538  0.230769      4.000000
  0.076923  0.461538  0.230769      8.000000
  0.153846  0.461538  0.230769      8.000000
  0.230769  0.461538  0.230769      8.000000
  0.307692  0.461538  0.230769      8.000000
  0.384615  0.461538  0.230769      8.000000
  0.461538  0.461538  0.230769      8.000000
  0.000000  0.000000  0.307692      2.000000
  0.076923  0.000000  0.307692      4.000000
  0.153846  0.000000  0.307692      4.000000
  0.230769  0.000000  0.307692      4.000000
  0.307692  0.000000  0.307692      4.000000
  0.384615  0.000000  0.307692      4.000000
  0.461538  0.000000  0.307692      4.000000
  0.000000  0.076923  0.307692      4.000000
  0.076923  0.076923  0.307692      8.000000
  0.153846  0.076923  0.307692      8.000000
  0.230769  0.076923  0.307692      8.000000
  0.307692  0.076923  0.307692      8.000000
  0.384615  0.076923  0.307692      8.000000
  0.461538  0.076923  0.307692      8.000000
  0.000000  0.153846  0.307692      4.000000
  0.076923  0.153846  0.307692      8.000000
  0.153846  0.153846  0.307692      8.000000
  0.230769  0.153846  0.307692      8.000000
  0.307692  0.153846  0.307692      8.000000
  0.384615  0.153846  0.307692      8.000000
  0.461538  0.153846  0.307692      8.000000
  0.000000  0.230769  0.307692      4.000000
  0.076923  0.230769  0.307692      8.000000
  0.153846  0.230769  0.307692      8.000000
  0.230769  0.230769  0.307692      8.000000
  0.307692  0.230769  0.307692      8.000000
  0.384615  0.230769  0.307692      8.000000
  0.461538  0.230769  0.307692      8.000000
  0.000000  0.307692  0.307692      4.000000
  0.076923  0.307692  0.307692      8.000000
  0.153846  0.307692  0.307692      8.000000
  0.230769  0.307692  0.307692      8.000000
  0.307692  0.307692  0.307692      8.000000
  0.384615  0.307692  0.307692      8.000000
  0.461538  0.307692  0.307692      8.000000
  0.000000  0.384615  0.307692      4.000000
  0.076923  0.384615  0.307692      8.000000
  0.153846  0.384615  0.307692      8.000000
  0.230769  0.384615  0.307692      8.000000
  0.307692  0.384615  0.307692      8.000000
  0.384615  0.384615  0.307692      8.000000
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  0.095545  0.038205  0.090965      8.000000
  0.114654  0.038205  0.090965      8.000000
  0.000000  0.057308  0.090965      4.000000
  0.019109  0.057308  0.090965      8.000000
  0.038218  0.057308  0.090965      8.000000
  0.057327  0.057308  0.090965      8.000000
  0.076436  0.057308  0.090965      8.000000
  0.095545  0.057308  0.090965      8.000000
  0.114654  0.057308  0.090965      8.000000
  0.000000  0.076411  0.090965      4.000000
  0.019109  0.076411  0.090965      8.000000
  0.038218  0.076411  0.090965      8.000000
  0.057327  0.076411  0.090965      8.000000
  0.076436  0.076411  0.090965      8.000000
  0.095545  0.076411  0.090965      8.000000
  0.114654  0.076411  0.090965      8.000000
  0.000000  0.095513  0.090965      4.000000
  0.019109  0.095513  0.090965      8.000000
  0.038218  0.095513  0.090965      8.000000
  0.057327  0.095513  0.090965      8.000000
  0.076436  0.095513  0.090965      8.000000
  0.095545  0.095513  0.090965      8.000000
  0.114654  0.095513  0.090965      8.000000
  0.000000  0.114616  0.090965      4.000000
  0.019109  0.114616  0.090965      8.000000
  0.038218  0.114616  0.090965      8.000000
  0.057327  0.114616  0.090965      8.000000
  0.076436  0.114616  0.090965      8.000000
  0.095545  0.114616  0.090965      8.000000
  0.114654  0.114616  0.090965      8.000000
  0.000000  0.000000  0.109158      2.000000
  0.019109  0.000000  0.109158      4.000000
  0.038218  0.000000  0.109158      4.000000
  0.057327  0.000000  0.109158      4.000000
  0.076436  0.000000  0.109158      4.000000
  0.095545  0.000000  0.109158      4.000000
  0.114654  0.000000  0.109158      4.000000
  0.000000  0.019103  0.109158      4.000000
  0.019109  0.019103  0.109158      8.000000
  0.038218  0.019103  0.109158      8.000000
  0.057327  0.019103  0.109158      8.000000
  0.076436  0.019103  0.109158      8.000000
  0.095545  0.019103  0.109158      8.000000
  0.114654  0.019103  0.109158      8.000000
  0.000000  0.038205  0.109158      4.000000
  0.019109  0.038205  0.109158      8.000000
  0.038218  0.038205  0.109158      8.000000
  0.057327  0.038205  0.109158      8.000000
  0.076436  0.038205  0.109158      8.000000
  0.095545  0.038205  0.109158      8.000000
  0.114654  0.038205  0.109158      8.000000
  0.000000  0.057308  0.109158      4.000000
  0.019109  0.057308  0.109158      8.000000
  0.038218  0.057308  0.109158      8.000000
  0.057327  0.057308  0.109158      8.000000
  0.076436  0.057308  0.109158      8.000000
  0.095545  0.057308  0.109158      8.000000
  0.114654  0.057308  0.109158      8.000000
  0.000000  0.076411  0.109158      4.000000
  0.019109  0.076411  0.109158      8.000000
  0.038218  0.076411  0.109158      8.000000
  0.057327  0.076411  0.109158      8.000000
  0.076436  0.076411  0.109158      8.000000
  0.095545  0.076411  0.109158      8.000000
  0.114654  0.076411  0.109158      8.000000
  0.000000  0.095513  0.109158      4.000000
  0.019109  0.095513  0.109158      8.000000
  0.038218  0.095513  0.109158      8.000000
  0.057327  0.095513  0.109158      8.000000
  0.076436  0.095513  0.109158      8.000000
  0.095545  0.095513  0.109158      8.000000
  0.114654  0.095513  0.109158      8.000000
  0.000000  0.114616  0.109158      4.000000
  0.019109  0.114616  0.109158      8.000000
  0.038218  0.114616  0.109158      8.000000
  0.057327  0.114616  0.109158      8.000000
  0.076436  0.114616  0.109158      8.000000
  0.095545  0.114616  0.109158      8.000000
  0.114654  0.114616  0.109158      8.000000
 
    WAVPRE:  cpu time    0.4160: real time    0.4512
    FEWALD:  cpu time    0.0025: real time    0.0025
    GENKIN:  cpu time    0.0694: real time    0.0695
    ORTHCH:  cpu time    2.2841: real time    2.2848
     LOOP+:  cpu time  158.5191: real time  158.6429


--------------------------------------- Iteration      6(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0515: real time    0.0554
    SETDIJ:  cpu time    0.0032: real time    0.0032
     EDDAV:  cpu time   24.7024: real time   24.7129
       DOS:  cpu time    0.0165: real time    0.0165
    CHARGE:  cpu time    0.1768: real time    0.1768
    MIXING:  cpu time    0.0031: real time    0.0031
    --------------------------------------------
      LOOP:  cpu time   24.9536: real time   24.9681

 eigenvalue-minimisations  : 10120
 total energy-change (2. order) :-0.4511302E-01  (-0.2381992E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1159210 magnetization 

 Broyden mixing:
  rms(total) = 0.10718E+00    rms(broyden)= 0.10718E+00
  rms(prec ) = 0.23774E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.17242731
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.01600538
  PAW double counting   =       465.18756678     -363.87160385
  entropy T*S    EENTRO =        -0.04269379
  eigenvalues    EBANDS =        19.11149091
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.52843623 eV

  energy without entropy =      -13.48574244  energy(sigma->0) =      -13.50708934


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0527: real time    0.0531
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   24.7785: real time   24.7928
       DOS:  cpu time    0.0175: real time    0.0175
    CHARGE:  cpu time    0.1786: real time    0.1787
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time   25.0349: real time   25.0496

 eigenvalue-minimisations  :  9656
 total energy-change (2. order) : 0.2233799E-01  (-0.7197522E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1125732 magnetization 

 Broyden mixing:
  rms(total) = 0.45081E-01    rms(broyden)= 0.45081E-01
  rms(prec ) = 0.11916E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3005
  1.3005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.33803805
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.04387206
  PAW double counting   =       414.37511298     -313.03999589
  entropy T*S    EENTRO =        -0.04285705
  eigenvalues    EBANDS =        19.30831541
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.50609825 eV

  energy without entropy =      -13.46324120  energy(sigma->0) =      -13.48466972


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0537: real time    0.0540
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   25.2784: real time   25.2897
       DOS:  cpu time    0.0151: real time    0.0151
    CHARGE:  cpu time    0.1814: real time    0.1814
    MIXING:  cpu time    0.0042: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time   25.5367: real time   25.5484

 eigenvalue-minimisations  : 10004
 total energy-change (2. order) : 0.9074110E-02  (-0.1699340E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1107626 magnetization 

 Broyden mixing:
  rms(total) = 0.17015E-01    rms(broyden)= 0.17015E-01
  rms(prec ) = 0.35163E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7017
  1.2859  2.1175

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.49313448
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.07180620
  PAW double counting   =       386.60210724     -285.24473802
  entropy T*S    EENTRO =        -0.04301825
  eigenvalues    EBANDS =        19.47832917
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49702414 eV

  energy without entropy =      -13.45400589  energy(sigma->0) =      -13.47551501


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0520: real time    0.0523
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   24.4509: real time   24.4613
       DOS:  cpu time    0.0161: real time    0.0161
    CHARGE:  cpu time    0.1786: real time    0.1786
    MIXING:  cpu time    0.0062: real time    0.0062
    --------------------------------------------
      LOOP:  cpu time   24.7074: real time   24.7180

 eigenvalue-minimisations  :  9764
 total energy-change (2. order) : 0.7577596E-03  (-0.1474119E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1100807 magnetization 

 Broyden mixing:
  rms(total) = 0.96487E-02    rms(broyden)= 0.96487E-02
  rms(prec ) = 0.11896E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2928
  2.0126  1.3987  0.4672

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.52595980
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.08581640
  PAW double counting   =       386.03966012     -284.67106896
  entropy T*S    EENTRO =        -0.04301555
  eigenvalues    EBANDS =        19.51469781
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49626638 eV

  energy without entropy =      -13.45325083  energy(sigma->0) =      -13.47475860


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0523: real time    0.0552
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   25.2783: real time   25.2922
       DOS:  cpu time    0.0149: real time    0.0149
    CHARGE:  cpu time    0.1770: real time    0.1770
    MIXING:  cpu time    0.0049: real time    0.0049
    --------------------------------------------
      LOOP:  cpu time   25.5309: real time   25.5477

 eigenvalue-minimisations  : 10300
 total energy-change (2. order) : 0.4146058E-04  (-0.5210473E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1099128 magnetization 

 Broyden mixing:
  rms(total) = 0.66795E-02    rms(broyden)= 0.66795E-02
  rms(prec ) = 0.71765E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7646
  1.1590  1.1590  2.3702  2.3702

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.52796506
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.08964454
  PAW double counting   =       389.38389289     -288.01256807
  entropy T*S    EENTRO =        -0.04301288
  eigenvalues    EBANDS =        19.51783634
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49622492 eV

  energy without entropy =      -13.45321204  energy(sigma->0) =      -13.47471848


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0514: real time    0.0518
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   24.1165: real time   24.1248
       DOS:  cpu time    0.0168: real time    0.0168
    --------------------------------------------
      LOOP:  cpu time   24.1884: real time   24.1971

 eigenvalue-minimisations  :  9716
 total energy-change (2. order) : 0.8798567E-05  (-0.5756940E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1099128 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.10783895
  Ewald energy   TEWEN  =      -213.53239296
  -Hartree energ DENC   =        -3.52605521
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -83.09246841
  PAW double counting   =       395.21882894     -293.84586799
  entropy T*S    EENTRO =        -0.04301255
  eigenvalues    EBANDS =        19.51712270
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49621612 eV

  energy without entropy =      -13.45320357  energy(sigma->0) =      -13.47470985


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.7245       2 -74.7730       3 -74.7189       4 -74.7203
 
 
 
 E-fermi :   5.8291     XC(G=0):  -9.4009     alpha+bet :-12.8869


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.7707      2.00000
      2       3.5622      2.00000
      3       4.2175      2.00000
      4       4.2224      2.00000
      5       4.6464      1.99999
      6       5.4200      1.96709
      7       7.2918      0.00000
      8      11.6855      0.00000
      9      11.6894      0.00000
     10      11.7339      0.00000
     11      12.1634      0.00000
     12      12.1673      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.7210      2.00000
      2       3.4940      2.00000
      3       3.6117      2.00000
      4       4.2667      2.00000
      5       4.7895      1.99994
      6       5.9249      0.55453
      7       7.5441      0.00000
      8      10.8552      0.00000
      9      11.3405      0.00000
     10      11.3632      0.00000
     11      12.0621      0.00000
     12      12.2124      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5726      2.00000
      2       2.4621      2.00000
      3       3.7597      2.00000
      4       4.4140      2.00000
      5       4.9610      1.99966
      6       6.4287      0.00496
      7       8.4107      0.00000
      8       9.7349      0.00000
      9      10.3213      0.00000
     10      10.6295      0.00000
     11      12.0931      0.00000
     12      12.2993      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3283      2.00000
      2       1.4662      2.00000
      3       4.0052      2.00000
      4       4.6581      1.99998
      5       5.2184      1.99555
      6       6.6947      0.00035
      7       8.6921      0.00000
      8       9.2980      0.00000
      9       9.6375      0.00000
     10       9.8516      0.00000
     11      11.7394      0.00000
     12      12.3089      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.9959      2.00000
      2       0.5572      2.00000
      3       4.3443      2.00000
      4       4.9959      1.99952
      5       5.5676      1.86355
      6       6.8863      0.00005
      7       7.7506      0.00000
      8       8.3656      0.00000
      9       8.9260      0.00000
     10      10.9135      0.00000
     11      11.5633      0.00000
     12      12.6258      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.5984      2.00000
      2      -0.2286      2.00000
      3       4.7648      1.99995
      4       5.4157      1.96844
      5       5.9958      0.31740
      6       6.9274      0.00003
      7       7.0318      0.00001
      8       7.5471      0.00000
      9       8.1646      0.00000
     10      10.7240      0.00000
     11      13.0160      0.00000
     12      13.2712      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.2331      2.00000
      2      -0.7890      2.00000
      3       5.1950      1.99648
      4       5.8497      0.89701
      5       6.2954      0.01869
      6       6.4326      0.00477
      7       6.9133      0.00004
      8       7.0789      0.00001
      9       7.5974      0.00000
     10      10.5240      0.00000
     11      13.4384      0.00000
     12      13.5636      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.7210      2.00000
      2       3.4897      2.00000
      3       3.6116      2.00000
      4       4.2715      2.00000
      5       4.7909      1.99994
      6       5.9248      0.55487
      7       7.5421      0.00000
      8      10.8512      0.00000
      9      11.3416      0.00000
     10      11.3600      0.00000
     11      12.0656      0.00000
     12      12.2163      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.6712      2.00000
      2       3.4468      2.00000
      3       3.6408      2.00000
      4       3.6611      2.00000
      5       5.0457      1.99921
      6       6.3829      0.00784
      7       7.7216      0.00000
      8      10.6134      0.00000
      9      10.7430      0.00000
     10      11.1662      0.00000
     11      11.4038      0.00000
     12      11.9039      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5227      2.00000
      2       2.4998      2.00000
      3       3.7110      2.00000
      4       3.8091      2.00000
      5       5.2487      1.99399
      6       6.9558      0.00003
      7       8.4686      0.00000
      8       9.6119      0.00000
      9       9.7748      0.00000
     10      10.8839      0.00000
     11      11.1336      0.00000
     12      11.9002      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.2783      2.00000
      2       1.5095      2.00000
      3       3.9540      2.00000
      4       4.0545      2.00000
      5       5.4866      1.93695
      6       7.2497      0.00000
      7       8.6107      0.00000
      8       8.7392      0.00000
      9       9.7033      0.00000
     10      10.1999      0.00000
     11      11.3584      0.00000
     12      11.9425      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.9456      2.00000
      2       0.6022      2.00000
      3       4.2928      2.00000
      4       4.3937      2.00000
      5       5.7820      1.23090
      6       7.4525      0.00000
      7       7.7191      0.00000
      8       7.7991      0.00000
      9       9.3654      0.00000
     10      11.1715      0.00000
     11      11.6139      0.00000
     12      11.6794      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.5473      2.00000
      2      -0.1836      2.00000
      3       4.7119      1.99997
      4       4.8140      1.99992
      5       6.0894      0.13777
      6       6.9304      0.00003
      7       6.9764      0.00002
      8       7.6298      0.00000
      9       8.7395      0.00000
     10      11.0162      0.00000
     11      12.0661      0.00000
     12      12.6370      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.1805      2.00000
      2      -0.7451      2.00000
      3       5.1400      1.99797
      4       5.2441      1.99425
      5       6.1001      0.12467
      6       6.3447      0.01145
      7       6.5771      0.00113
      8       7.6862      0.00000
      9       8.3570      0.00000
     10      10.7787      0.00000
     11      12.4213      0.00000
     12      13.0873      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.5727      2.00000
      2       2.4584      2.00000
      3       3.7596      2.00000
      4       4.4186      2.00000
      5       4.9627      1.99965
      6       6.4310      0.00485
      7       8.4049      0.00000
      8       9.7313      0.00000
      9      10.3222      0.00000
     10      10.6274      0.00000
     11      12.0973      0.00000
     12      12.3619      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.5229      2.00000
      2       2.4962      2.00000
      3       3.7150      2.00000
      4       3.8090      2.00000
      5       5.2493      1.99395
      6       6.9592      0.00002
      7       8.4636      0.00000
      8       9.6123      0.00000
      9       9.7713      0.00000
     10      10.8820      0.00000
     11      11.1377      0.00000
     12      11.9038      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3741      2.00000
      2       2.4611      2.00000
      3       2.8751      2.00000
      4       3.9570      2.00000
      5       5.4631      1.94982
      6       7.9293      0.00000
      7       8.5217      0.00000
      8       8.8986      0.00000
      9       9.7600      0.00000
     10      10.1429      0.00000
     11      10.7852      0.00000
     12      11.6492      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.1290      2.00000
      2       1.6278      2.00000
      3       2.9576      2.00000
      4       4.2023      2.00000
      5       5.6709      1.65895
      6       7.6505      0.00000
      7       8.4290      0.00000
      8       8.8755      0.00000
      9       9.8362      0.00000
     10      10.2163      0.00000
     11      10.3430      0.00000
     12      11.6895      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.7951      2.00000
      2       0.7338      2.00000
      3       3.2744      2.00000
      4       4.5413      1.99999
      5       5.8549      0.87170
      6       6.8649      0.00006
      7       7.9434      0.00000
      8       8.5826      0.00000
      9       9.7919      0.00000
     10      10.5313      0.00000
     11      11.2260      0.00000
     12      11.9239      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.3946      2.00000
      2      -0.0500      2.00000
      3       3.6743      2.00000
      4       4.9614      1.99966
      5       5.6732      1.65242
      6       6.5740      0.00116
      7       7.1227      0.00000
      8       8.4720      0.00000
      9       9.5993      0.00000
     10      10.9208      0.00000
     11      11.7015      0.00000
     12      12.1438      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.0231      2.00000
      2      -0.6149      2.00000
      3       4.0689      2.00000
      4       5.1956      1.99646
      5       5.3911      1.97524
      6       6.4920      0.00264
      7       6.7090      0.00030
      8       8.2306      0.00000
      9       9.6470      0.00000
     10      11.2832      0.00000
     11      11.4928      0.00000
     12      12.3354      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.3287      2.00000
      2       1.4632      2.00000
      3       4.0048      2.00000
      4       4.6626      1.99998
      5       5.2199      1.99549
      6       6.6978      0.00034
      7       8.6891      0.00000
      8       9.2996      0.00000
      9       9.6315      0.00000
     10       9.8489      0.00000
     11      11.7413      0.00000
     12      12.3132      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.2787      2.00000
      2       1.5066      2.00000
      3       3.9580      2.00000
      4       4.0542      2.00000
      5       5.4871      1.93661
      6       7.2542      0.00000
      7       8.6116      0.00000
      8       8.7363      0.00000
      9       9.6961      0.00000
     10      10.1985      0.00000
     11      11.3625      0.00000
     12      11.9463      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1293      2.00000
      2       1.6252      2.00000
      3       2.9608      2.00000
      4       4.2021      2.00000
      5       5.6709      1.65893
      6       7.6513      0.00000
      7       8.4339      0.00000
      8       8.8728      0.00000
      9       9.8293      0.00000
     10      10.2195      0.00000
     11      10.3427      0.00000
     12      11.6914      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.8831      2.00000
      2       1.6384      2.00000
      3       2.1898      2.00000
      4       4.4473      2.00000
      5       5.7711      1.28206
      6       6.8395      0.00008
      7       8.9690      0.00000
      8       9.3133      0.00000
      9       9.5374      0.00000
     10      10.0841      0.00000
     11      10.2926      0.00000
     12      11.5550      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.5471      2.00000
      2       0.9330      2.00000
      3       2.3070      2.00000
      4       4.7861      1.99994
      5       5.4704      1.94611
      6       6.5486      0.00150
      7       8.1769      0.00000
      8       9.3968      0.00000
      9       9.4906      0.00000
     10      10.4825      0.00000
     11      10.8727      0.00000
     12      12.0687      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.1423      2.00000
      2       0.1651      2.00000
      3       2.6711      2.00000
      4       4.8314      1.99991
      5       5.2058      1.99608
      6       6.7378      0.00023
      7       7.3633      0.00000
      8       8.9132      0.00000
      9       9.8769      0.00000
     10      10.8329      0.00000
     11      11.2169      0.00000
     12      12.2095      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.7620      2.00000
      2      -0.4036      2.00000
      3       3.0296      2.00000
      4       4.3072      2.00000
      5       5.6352      1.74843
      6       6.7343      0.00023
      7       6.9596      0.00002
      8       8.5513      0.00000
      9      10.2437      0.00000
     10      11.1050      0.00000
     11      11.4411      0.00000
     12      11.6397      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.9966      2.00000
      2       0.5550      2.00000
      3       4.3437      2.00000
      4       5.0001      1.99950
      5       5.5687      1.86223
      6       6.8895      0.00005
      7       7.7483      0.00000
      8       8.3679      0.00000
      9       8.9261      0.00000
     10      10.9105      0.00000
     11      11.5596      0.00000
     12      12.6314      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.9462      2.00000
      2       0.5999      2.00000
      3       4.2965      2.00000
      4       4.3931      2.00000
      5       5.7822      1.23016
      6       7.4572      0.00000
      7       7.7204      0.00000
      8       7.7968      0.00000
      9       9.3654      0.00000
     10      11.1660      0.00000
     11      11.6147      0.00000
     12      11.6831      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.7957      2.00000
      2       0.7317      2.00000
      3       3.2774      2.00000
      4       4.5409      1.99999
      5       5.8549      0.87169
      6       6.8658      0.00006
      7       7.9413      0.00000
      8       8.5869      0.00000
      9       9.7925      0.00000
     10      10.5343      0.00000
     11      11.2216      0.00000
     12      11.9240      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.5474      2.00000
      2       0.9313      2.00000
      3       2.3092      2.00000
      4       4.7858      1.99994
      5       5.4708      1.94587
      6       6.5485      0.00150
      7       8.1750      0.00000
      8       9.3974      0.00000
      9       9.4929      0.00000
     10      10.4883      0.00000
     11      10.8711      0.00000
     12      12.0637      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.2076      2.00000
      2       1.0120      2.00000
      3       1.6248      2.00000
      4       4.7231      1.99997
      5       5.1242      1.99826
      6       6.7325      0.00024
      7       8.3748      0.00000
      8       8.6807      0.00000
      9       9.4845      0.00000
     10      10.4661      0.00000
     11      11.7375      0.00000
     12      12.3988      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.7956      2.00000
      2       0.4380      2.00000
      3       1.7685      2.00000
      4       4.0120      2.00000
      5       5.5438      1.89088
      6       7.0376      0.00001
      7       7.6883      0.00000
      8       8.9428      0.00000
      9       9.1218      0.00000
     10      10.4930      0.00000
     11      11.2707      0.00000
     12      12.2864      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.4002      2.00000
      2      -0.1251      2.00000
      3       2.0729      2.00000
      4       3.5030      2.00000
      5       5.9736      0.38145
      6       7.0643      0.00001
      7       7.3084      0.00000
      8       8.7589      0.00000
      9       9.3078      0.00000
     10      10.5896      0.00000
     11      10.6959      0.00000
     12      12.5668      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.5995      2.00000
      2      -0.2302      2.00000
      3       4.7637      1.99995
      4       5.4195      1.96725
      5       5.9961      0.31670
      6       6.9257      0.00003
      7       7.0346      0.00001
      8       7.5500      0.00000
      9       8.1662      0.00000
     10      10.7261      0.00000
     11      13.0063      0.00000
     12      13.2738      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.5484      2.00000
      2      -0.1851      2.00000
      3       4.7153      1.99997
      4       4.8130      1.99992
      5       6.0893      0.13801
      6       6.9322      0.00003
      7       6.9748      0.00002
      8       7.6334      0.00000
      9       8.7416      0.00000
     10      11.0192      0.00000
     11      12.0694      0.00000
     12      12.6373      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.3956      2.00000
      2      -0.0515      2.00000
      3       3.6770      2.00000
      4       4.9605      1.99966
      5       5.6745      1.64847
      6       6.5735      0.00117
      7       7.1212      0.00000
      8       8.4738      0.00000
      9       9.6035      0.00000
     10      10.9234      0.00000
     11      11.7058      0.00000
     12      12.1451      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.1430      2.00000
      2       0.1639      2.00000
      3       2.6730      2.00000
      4       4.8325      1.99991
      5       5.2051      1.99610
      6       6.7370      0.00023
      7       7.3620      0.00000
      8       8.9134      0.00000
      9       9.8787      0.00000
     10      10.8394      0.00000
     11      11.2184      0.00000
     12      12.2110      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.7960      2.00000
      2       0.4371      2.00000
      3       1.7697      2.00000
      4       4.0126      2.00000
      5       5.5434      1.89131
      6       7.0371      0.00001
      7       7.6874      0.00000
      8       8.9439      0.00000
      9       9.1217      0.00000
     10      10.4938      0.00000
     11      11.2715      0.00000
     12      12.2936      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.3706      2.00000
      2       0.5911      2.00000
      3       1.1438      2.00000
      4       3.3085      2.00000
      5       5.9635      0.41365
      6       7.4054      0.00000
      7       7.9785      0.00000
      8       8.2293      0.00000
      9       9.1311      0.00000
     10       9.9787      0.00000
     11      10.4660      0.00000
     12      12.6564      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.9469      2.00000
      2       0.1838      2.00000
      3       1.2224      2.00000
      4       2.8350      2.00000
      5       6.3968      0.00682
      6       7.4575      0.00000
      7       7.7433      0.00000
      8       8.4866      0.00000
      9       8.8972      0.00000
     10       9.8118      0.00000
     11       9.8914      0.00000
     12      12.4952      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.2349      2.00000
      2      -0.7899      2.00000
      3       5.1933      1.99654
      4       5.8529      0.88145
      5       6.2946      0.01885
      6       6.4314      0.00483
      7       6.9170      0.00004
      8       7.0809      0.00001
      9       7.6014      0.00000
     10      10.5265      0.00000
     11      13.4416      0.00000
     12      13.5655      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1823      2.00000
      2      -0.7459      2.00000
      3       5.1429      1.99791
      4       5.2424      1.99435
      5       6.1026      0.12181
      6       6.3439      0.01155
      7       6.5759      0.00114
      8       7.6886      0.00000
      9       8.3616      0.00000
     10      10.7820      0.00000
     11      12.4239      0.00000
     12      13.0900      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0247      2.00000
      2      -0.6156      2.00000
      3       4.0711      2.00000
      4       5.1980      1.99637
      5       5.3896      1.97562
      6       6.4913      0.00266
      7       6.7075      0.00031
      8       8.2318      0.00000
      9       9.6527      0.00000
     10      11.2851      0.00000
     11      11.4977      0.00000
     12      12.3374      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.7634      2.00000
      2      -0.4041      2.00000
      3       3.0311      2.00000
      4       4.3090      2.00000
      5       5.6338      1.75144
      6       6.7339      0.00024
      7       6.9582      0.00002
      8       8.5519      0.00000
      9      10.2449      0.00000
     10      11.1115      0.00000
     11      11.4428      0.00000
     12      11.6420      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.4013      2.00000
      2      -0.1253      2.00000
      3       2.0738      2.00000
      4       3.5042      2.00000
      5       5.9725      0.38486
      6       7.0641      0.00001
      7       7.3073      0.00000
      8       8.7594      0.00000
      9       9.3084      0.00000
     10      10.5904      0.00000
     11      10.6974      0.00000
     12      12.5723      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.9476      2.00000
      2       0.1840      2.00000
      3       1.2225      2.00000
      4       2.8355      2.00000
      5       6.3961      0.00687
      6       7.4578      0.00000
      7       7.7426      0.00000
      8       8.4865      0.00000
      9       8.8977      0.00000
     10       9.8119      0.00000
     11       9.8921      0.00000
     12      12.4958      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.4572      2.00000
      2       0.3798      2.00000
      3       0.5821      2.00000
      4       2.4090      2.00000
      5       6.8455      0.00008
      6       7.7803      0.00000
      7       7.8743      0.00000
      8       8.2067      0.00000
      9       8.9438      0.00000
     10       9.2011      0.00000
     11       9.3272      0.00000
     12      12.3526      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.6768      2.00000
      2       2.9231      2.00000
      3       3.6015      2.00000
      4       4.3157      2.00000
      5       5.3994      1.97312
      6       6.0190      0.26023
      7       7.6101      0.00000
      8      10.1126      0.00000
      9      10.8381      0.00000
     10      11.6160      0.00000
     11      11.6589      0.00000
     12      12.2560      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.6270      2.00000
      2       2.9541      2.00000
      3       3.4925      2.00000
      4       3.8257      2.00000
      5       5.6558      1.69956
      6       6.4284      0.00498
      7       7.7760      0.00000
      8      10.0128      0.00000
      9      10.2485      0.00000
     10      10.9501      0.00000
     11      11.8360      0.00000
     12      12.3897      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4784      2.00000
      2       2.5059      2.00000
      3       3.1766      2.00000
      4       3.8600      2.00000
      5       5.8610      0.84179
      6       7.0144      0.00001
      7       8.4745      0.00000
      8       9.1244      0.00000
      9       9.6939      0.00000
     10      10.5267      0.00000
     11      11.4555      0.00000
     12      12.3352      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.2337      2.00000
      2       1.5423      2.00000
      3       3.4016      2.00000
      4       4.0848      2.00000
      5       6.1101      0.11354
      6       7.2633      0.00000
      7       8.1429      0.00000
      8       8.7694      0.00000
      9       9.7972      0.00000
     10      10.5769      0.00000
     11      10.7744      0.00000
     12      12.2280      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.9006      2.00000
      2       0.6399      2.00000
      3       3.7362      2.00000
      4       4.4018      2.00000
      5       6.4255      0.00512
      6       7.0231      0.00001
      7       7.5824      0.00000
      8       8.0468      0.00000
      9       9.8201      0.00000
     10      10.8531      0.00000
     11      11.2486      0.00000
     12      11.8659      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.5015      2.00000
      2      -0.1449      2.00000
      3       4.1505      2.00000
      4       4.7879      1.99994
      5       6.2902      0.01968
      6       6.6985      0.00034
      7       7.1731      0.00000
      8       7.9470      0.00000
      9       9.0761      0.00000
     10      11.0053      0.00000
     11      11.4109      0.00000
     12      13.0700      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.1330      2.00000
      2      -0.7075      2.00000
      3       4.5623      1.99999
      4       5.1743      1.99714
      5       5.6616      1.68429
      6       6.4219      0.00531
      7       7.2996      0.00000
      8       8.0766      0.00000
      9       8.4853      0.00000
     10      10.8408      0.00000
     11      11.6649      0.00000
     12      13.1576      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.5284      2.00000
      2       2.4585      2.00000
      3       3.1833      2.00000
      4       4.4628      2.00000
      5       5.5564      1.87720
      6       6.5633      0.00129
      7       8.4132      0.00000
      8       9.1375      0.00000
      9      10.3377      0.00000
     10      11.1289      0.00000
     11      11.1760      0.00000
     12      12.1036      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.4785      2.00000
      2       2.5025      2.00000
      3       3.1771      2.00000
      4       3.8636      2.00000
      5       5.8619      0.83712
      6       7.0173      0.00001
      7       8.4693      0.00000
      8       9.1218      0.00000
      9       9.6949      0.00000
     10      10.5297      0.00000
     11      11.4533      0.00000
     12      12.3398      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3296      2.00000
      2       2.5075      2.00000
      3       2.7939      2.00000
      4       3.5119      2.00000
      5       6.1012      0.12347
      6       7.9629      0.00000
      7       8.5601      0.00000
      8       8.7595      0.00000
      9       9.0892      0.00000
     10       9.8934      0.00000
     11      11.4667      0.00000
     12      12.0945      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.0844      2.00000
      2       1.6643      2.00000
      3       2.9390      2.00000
      4       3.6903      2.00000
      5       6.3148      0.01543
      6       7.6519      0.00000
      7       8.1285      0.00000
      8       8.7158      0.00000
      9       9.4644      0.00000
     10      10.1703      0.00000
     11      10.9560      0.00000
     12      12.1497      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.7501      2.00000
      2       0.7726      2.00000
      3       3.2729      2.00000
      4       3.9858      2.00000
      5       6.3824      0.00787
      6       6.9374      0.00003
      7       7.4642      0.00000
      8       8.8635      0.00000
      9       9.8266      0.00000
     10      10.2743      0.00000
     11      11.5155      0.00000
     12      12.2994      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.3487      2.00000
      2      -0.0107      2.00000
      3       3.6904      2.00000
      4       4.3457      2.00000
      5       5.7951      1.16802
      6       6.5965      0.00093
      7       7.2323      0.00000
      8       8.9156      0.00000
      9       9.7475      0.00000
     10      10.2727      0.00000
     11      11.8793      0.00000
     12      12.6281      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.9757      2.00000
      2      -0.5766      2.00000
      3       4.1081      2.00000
      4       4.6967      1.99998
      5       5.1687      1.99729
      6       6.1510      0.07684
      7       7.4631      0.00000
      8       8.7108      0.00000
      9       9.6989      0.00000
     10      10.5893      0.00000
     11      11.4398      0.00000
     12      12.3494      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.2842      2.00000
      2       1.4951      2.00000
      3       3.3919      2.00000
      4       4.7067      1.99997
      5       5.8127      1.08174
      6       6.8096      0.00011
      7       8.1339      0.00000
      8       9.3394      0.00000
      9       9.7666      0.00000
     10      10.3101      0.00000
     11      11.3242      0.00000
     12      11.7714      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.2341      2.00000
      2       1.5394      2.00000
      3       3.4018      2.00000
      4       4.0883      2.00000
      5       6.1109      0.11262
      6       7.2669      0.00000
      7       8.1413      0.00000
      8       8.7698      0.00000
      9       9.7907      0.00000
     10      10.5772      0.00000
     11      10.7760      0.00000
     12      12.2303      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0846      2.00000
      2       1.6616      2.00000
      3       2.9419      2.00000
      4       3.6904      2.00000
      5       6.3148      0.01542
      6       7.6521      0.00000
      7       8.1293      0.00000
      8       8.7181      0.00000
      9       9.4647      0.00000
     10      10.1659      0.00000
     11      10.9548      0.00000
     12      12.1526      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.8383      2.00000
      2       1.6852      2.00000
      3       2.2025      2.00000
      4       3.8774      2.00000
      5       6.2921      0.01931
      6       7.0053      0.00002
      7       8.2582      0.00000
      8       8.8060      0.00000
      9       9.7388      0.00000
     10      10.4188      0.00000
     11      10.9019      0.00000
     12      11.8304      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.5019      2.00000
      2       0.9745      2.00000
      3       2.3353      2.00000
      4       4.1733      2.00000
      5       5.6692      1.66348
      6       7.0429      0.00001
      7       7.6250      0.00000
      8       8.9171      0.00000
      9       9.9632      0.00000
     10      10.7223      0.00000
     11      11.3419      0.00000
     12      12.0300      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.0964      2.00000
      2       0.2058      2.00000
      3       2.7067      2.00000
      4       4.4792      2.00000
      5       5.0119      1.99943
      6       6.8043      0.00012
      7       7.4459      0.00000
      8       9.1962      0.00000
      9       9.5753      0.00000
     10      10.8867      0.00000
     11      11.6494      0.00000
     12      11.9066      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.7147      2.00000
      2      -0.3643      2.00000
      3       3.0733      2.00000
      4       4.2917      2.00000
      5       4.9958      1.99952
      6       6.2986      0.01811
      7       7.7123      0.00000
      8       9.0539      0.00000
      9       9.6004      0.00000
     10      11.0543      0.00000
     11      11.2506      0.00000
     12      12.1529      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.9516      2.00000
      2       0.5923      2.00000
      3       3.7168      2.00000
      4       5.0442      1.99922
      5       6.1620      0.06917
      6       6.8025      0.00012
      7       7.4616      0.00000
      8       8.4105      0.00000
      9       9.4375      0.00000
     10      11.0211      0.00000
     11      11.5420      0.00000
     12      11.6397      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.9012      2.00000
      2       0.6376      2.00000
      3       3.7360      2.00000
      4       4.4052      2.00000
      5       6.4259      0.00510
      6       7.0222      0.00001
      7       7.5861      0.00000
      8       8.0481      0.00000
      9       9.8199      0.00000
     10      10.8557      0.00000
     11      11.2437      0.00000
     12      11.8657      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7506      2.00000
      2       0.7705      2.00000
      3       3.2757      2.00000
      4       3.9855      2.00000
      5       6.3829      0.00783
      6       6.9370      0.00003
      7       7.4637      0.00000
      8       8.8683      0.00000
      9       9.8289      0.00000
     10      10.2738      0.00000
     11      11.5084      0.00000
     12      12.3030      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5022      2.00000
      2       0.9728      2.00000
      3       2.3375      2.00000
      4       4.1731      2.00000
      5       5.6698      1.66205
      6       7.0425      0.00001
      7       7.6238      0.00000
      8       8.9190      0.00000
      9       9.9655      0.00000
     10      10.7252      0.00000
     11      11.3398      0.00000
     12      12.0274      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.1622      2.00000
      2       1.0590      2.00000
      3       1.6550      2.00000
      4       4.3886      2.00000
      5       4.9461      1.99971
      6       7.3330      0.00000
      7       7.6778      0.00000
      8       8.2671      0.00000
      9      10.2433      0.00000
     10      10.9440      0.00000
     11      11.5273      0.00000
     12      11.7901      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.7496      2.00000
      2       0.4811      2.00000
      3       1.8072      2.00000
      4       4.0055      2.00000
      5       4.9847      1.99957
      6       7.0948      0.00001
      7       7.7287      0.00000
      8       8.3752      0.00000
      9       9.8016      0.00000
     10      10.7188      0.00000
     11      11.2294      0.00000
     12      12.3942      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.3530      2.00000
      2      -0.0839      2.00000
      3       2.1179      2.00000
      4       3.5154      2.00000
      5       5.3244      1.98721
      6       6.5661      0.00126
      7       8.0517      0.00000
      8       8.6498      0.00000
      9       9.2975      0.00000
     10      10.3752      0.00000
     11      11.3225      0.00000
     12      12.7058      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.5537      2.00000
      2      -0.1918      2.00000
      3       4.1191      2.00000
      4       5.4635      1.94959
      5       6.2105      0.04314
      6       6.6629      0.00048
      7       7.3843      0.00000
      8       7.5934      0.00000
      9       8.6240      0.00000
     10      10.8341      0.00000
     11      12.0263      0.00000
     12      12.8580      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.5026      2.00000
      2      -0.1464      2.00000
      3       4.1497      2.00000
      4       4.7910      1.99994
      5       6.2894      0.01984
      6       6.6987      0.00033
      7       7.1751      0.00000
      8       7.9504      0.00000
      9       9.0774      0.00000
     10      11.0085      0.00000
     11      11.4133      0.00000
     12      13.0617      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3497      2.00000
      2      -0.0121      2.00000
      3       3.6930      2.00000
      4       4.3449      2.00000
      5       5.7964      1.16162
      6       6.5955      0.00094
      7       7.2318      0.00000
      8       8.9183      0.00000
      9       9.7505      0.00000
     10      10.2752      0.00000
     11      11.8835      0.00000
     12      12.6244      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.0972      2.00000
      2       0.2046      2.00000
      3       2.7087      2.00000
      4       4.4789      2.00000
      5       5.0126      1.99943
      6       6.8033      0.00012
      7       7.4452      0.00000
      8       9.1975      0.00000
      9       9.5759      0.00000
     10      10.8928      0.00000
     11      11.6513      0.00000
     12      11.9079      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.7501      2.00000
      2       0.4802      2.00000
      3       1.8084      2.00000
      4       4.0061      2.00000
      5       4.9843      1.99957
      6       7.0941      0.00001
      7       7.7283      0.00000
      8       8.3762      0.00000
      9       9.8012      0.00000
     10      10.7199      0.00000
     11      11.2302      0.00000
     12      12.4011      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.3244      2.00000
      2       0.6382      2.00000
      3       1.1824      2.00000
      4       3.3253      2.00000
      5       5.3581      1.98215
      6       7.2823      0.00000
      7       7.7220      0.00000
      8       8.1220      0.00000
      9       9.9036      0.00000
     10       9.9384      0.00000
     11      10.7418      0.00000
     12      13.0777      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.8998      2.00000
      2       0.2278      2.00000
      3       1.2679      2.00000
      4       2.8531      2.00000
      5       5.7484      1.38286
      6       6.8771      0.00006
      7       7.8424      0.00000
      8       8.4719      0.00000
      9       9.3201      0.00000
     10       9.8324      0.00000
     11      10.5579      0.00000
     12      12.8711      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.1874      2.00000
      2      -0.7525      2.00000
      3       4.5147      2.00000
      4       5.6781      1.63794
      5       5.8968      0.67363
      6       6.9607      0.00002
      7       7.1615      0.00000
      8       7.4651      0.00000
      9       7.9035      0.00000
     10      10.6306      0.00000
     11      12.3885      0.00000
     12      13.4376      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.1348      2.00000
      2      -0.7083      2.00000
      3       4.5606      1.99999
      4       5.1770      1.99706
      5       5.6618      1.68371
      6       6.4243      0.00519
      7       7.2982      0.00000
      8       8.0796      0.00000
      9       8.4889      0.00000
     10      10.8439      0.00000
     11      11.6674      0.00000
     12      13.1608      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.9773      2.00000
      2      -0.5773      2.00000
      3       4.1103      2.00000
      4       4.6954      1.99998
      5       5.1703      1.99725
      6       6.1512      0.07677
      7       7.4616      0.00000
      8       8.7120      0.00000
      9       9.7045      0.00000
     10      10.5913      0.00000
     11      11.4443      0.00000
     12      12.3523      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.7161      2.00000
      2      -0.3648      2.00000
      3       3.0748      2.00000
      4       4.2934      2.00000
      5       4.9945      1.99953
      6       6.2984      0.01814
      7       7.7109      0.00000
      8       9.0544      0.00000
      9       9.6017      0.00000
     10      11.0588      0.00000
     11      11.2552      0.00000
     12      12.1545      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.3541      2.00000
      2      -0.0841      2.00000
      3       2.1187      2.00000
      4       3.5165      2.00000
      5       5.3233      1.98736
      6       6.5662      0.00126
      7       8.0506      0.00000
      8       8.6504      0.00000
      9       9.2977      0.00000
     10      10.3768      0.00000
     11      11.3232      0.00000
     12      12.7130      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.9005      2.00000
      2       0.2280      2.00000
      3       1.2680      2.00000
      4       2.8536      2.00000
      5       5.7477      1.38592
      6       6.8775      0.00006
      7       7.8424      0.00000
      8       8.4712      0.00000
      9       9.3203      0.00000
     10       9.8333      0.00000
     11      10.5580      0.00000
     12      12.8718      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.4099      2.00000
      2       0.4270      2.00000
      3       0.6279      2.00000
      4       2.4265      2.00000
      5       6.1991      0.04825
      6       7.0835      0.00001
      7       7.2412      0.00000
      8       8.8944      0.00000
      9       9.0809      0.00000
     10       9.7197      0.00000
     11       9.9661      0.00000
     12      12.6901      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.3962      2.00000
      2       2.0506      2.00000
      3       2.7837      2.00000
      4       4.5949      1.99999
      5       6.1423      0.08358
      6       7.1969      0.00000
      7       8.0879      0.00000
      8       8.7272      0.00000
      9       9.9551      0.00000
     10      10.6075      0.00000
     11      11.3151      0.00000
     12      12.1227      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.3462      2.00000
      2       2.0975      2.00000
      3       2.7981      2.00000
      4       3.9888      2.00000
      5       6.7545      0.00019
      6       7.3201      0.00000
      7       8.1345      0.00000
      8       8.6793      0.00000
      9       9.3558      0.00000
     10      10.1369      0.00000
     11      11.8627      0.00000
     12      12.4895      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1970      2.00000
      2       2.2148      2.00000
      3       2.6466      2.00000
      4       3.2891      2.00000
      5       7.2204      0.00000
      6       7.9066      0.00000
      7       8.2463      0.00000
      8       8.3108      0.00000
      9       8.7119      0.00000
     10       9.7346      0.00000
     11      12.2234      0.00000
     12      12.7918      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.9511      2.00000
      2       1.7488      2.00000
      3       2.5483      2.00000
      4       3.3228      2.00000
      5       7.1607      0.00000
      6       7.3906      0.00000
      7       7.8996      0.00000
      8       8.5859      0.00000
      9       8.9373      0.00000
     10      10.3298      0.00000
     11      11.8882      0.00000
     12      12.8334      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.6156      2.00000
      2       0.8843      2.00000
      3       2.8756      2.00000
      4       3.5811      2.00000
      5       6.2640      0.02550
      6       6.9389      0.00003
      7       7.9505      0.00000
      8       8.9022      0.00000
      9       9.2069      0.00000
     10      11.1554      0.00000
     11      11.6681      0.00000
     12      12.3728      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.2119      2.00000
      2       0.1054      2.00000
      3       3.2954      2.00000
      4       3.9078      2.00000
      5       5.4470      1.95713
      6       6.3111      0.01600
      7       8.3174      0.00000
      8       9.2990      0.00000
      9       9.3979      0.00000
     10      10.4508      0.00000
     11      11.5738      0.00000
     12      12.3886      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.8337      2.00000
      2      -0.4635      2.00000
      3       3.7118      2.00000
      4       4.2315      2.00000
      5       4.7755      1.99995
      6       5.8795      0.75286
      7       8.6863      0.00000
      8       9.5270      0.00000
      9       9.6643      0.00000
     10       9.9155      0.00000
     11      10.9945      0.00000
     12      12.2019      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -3.1513      2.00000
      2       1.5592      2.00000
      3       2.5141      2.00000
      4       4.8387      1.99990
      5       6.3023      0.01746
      6       7.1282      0.00000
      7       7.7368      0.00000
      8       9.4462      0.00000
      9       9.8722      0.00000
     10      10.3130      0.00000
     11      10.8743      0.00000
     12      11.8467      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -3.1011      2.00000
      2       1.6073      2.00000
      3       2.5411      2.00000
      4       4.2106      2.00000
      5       6.8532      0.00007
      6       7.2066      0.00000
      7       7.8709      0.00000
      8       8.8551      0.00000
      9       9.5300      0.00000
     10      10.2069      0.00000
     11      11.4101      0.00000
     12      12.2888      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9513      2.00000
      2       1.7461      2.00000
      3       2.5491      2.00000
      4       3.3250      2.00000
      5       7.1590      0.00000
      6       7.3904      0.00000
      7       7.9014      0.00000
      8       8.5907      0.00000
      9       8.9378      0.00000
     10      10.3245      0.00000
     11      11.8865      0.00000
     12      12.8375      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7044      2.00000
      2       1.8253      2.00000
      3       2.1681      2.00000
      4       3.0911      2.00000
      5       6.6286      0.00067
      6       7.2800      0.00000
      7       7.7179      0.00000
      8       8.2310      0.00000
      9       9.9075      0.00000
     10      10.7011      0.00000
     11      11.9727      0.00000
     12      12.3348      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.3670      2.00000
      2       1.0954      2.00000
      3       2.3881      2.00000
      4       3.3130      2.00000
      5       5.7670      1.30056
      6       6.7011      0.00033
      7       7.9500      0.00000
      8       8.3434      0.00000
      9      10.4289      0.00000
     10      11.3370      0.00000
     11      11.5895      0.00000
     12      12.0467      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.9594      2.00000
      2       0.3260      2.00000
      3       2.7947      2.00000
      4       3.6260      2.00000
      5       4.9706      1.99963
      6       6.0675      0.16875
      7       8.3185      0.00000
      8       8.6195      0.00000
      9      10.4767      0.00000
     10      10.6746      0.00000
     11      11.3616      0.00000
     12      12.9186      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.5730      2.00000
      2      -0.2477      2.00000
      3       3.2001      2.00000
      4       3.9315      2.00000
      5       4.3238      2.00000
      6       5.6384      1.74117
      7       8.6195      0.00000
      8       8.9375      0.00000
      9       9.9308      0.00000
     10      10.5142      0.00000
     11      11.3281      0.00000
     12      13.0078      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.8174      2.00000
      2       0.6988      2.00000
      3       2.7859      2.00000
      4       5.1760      1.99709
      5       6.0159      0.26755
      6       6.9567      0.00003
      7       7.9061      0.00000
      8       8.5366      0.00000
      9      10.1095      0.00000
     10      10.6109      0.00000
     11      11.3105      0.00000
     12      11.5708      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.7670      2.00000
      2       0.7453      2.00000
      3       2.8210      2.00000
      4       4.5198      2.00000
      5       6.1891      0.05319
      6       7.4098      0.00000
      7       7.7447      0.00000
      8       8.3559      0.00000
      9       9.9456      0.00000
     10      10.5990      0.00000
     11      11.4506      0.00000
     12      11.9635      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6162      2.00000
      2       0.8822      2.00000
      3       2.8759      2.00000
      4       3.5833      2.00000
      5       6.2627      0.02582
      6       6.9396      0.00003
      7       7.9511      0.00000
      8       8.9063      0.00000
      9       9.2104      0.00000
     10      11.1544      0.00000
     11      11.6604      0.00000
     12      12.3750      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.3674      2.00000
      2       1.0936      2.00000
      3       2.3902      2.00000
      4       3.3128      2.00000
      5       5.7673      1.29926
      6       6.7001      0.00033
      7       7.9513      0.00000
      8       8.3438      0.00000
      9      10.4347      0.00000
     10      11.3364      0.00000
     11      11.5861      0.00000
     12      12.0444      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.0266      2.00000
      2       1.1997      2.00000
      3       1.7363      2.00000
      4       3.5480      2.00000
      5       4.9711      1.99962
      6       6.6889      0.00037
      7       7.4225      0.00000
      8       8.5656      0.00000
      9      10.6631      0.00000
     10      11.3631      0.00000
     11      11.9605      0.00000
     12      11.9917      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.6123      2.00000
      2       0.6091      2.00000
      3       1.9195      2.00000
      4       3.7724      2.00000
      5       4.3493      2.00000
      6       6.2127      0.04224
      7       7.4884      0.00000
      8       8.8928      0.00000
      9       9.9949      0.00000
     10      11.0135      0.00000
     11      12.2471      0.00000
     12      12.5685      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.2116      2.00000
      2       0.0382      2.00000
      3       2.2517      2.00000
      4       3.5350      2.00000
      5       4.3598      2.00000
      6       5.7539      1.35893
      7       7.7012      0.00000
      8       9.2121      0.00000
      9       9.5096      0.00000
     10      10.6398      0.00000
     11      12.4920      0.00000
     12      12.8634      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.4169      2.00000
      2      -0.0786      2.00000
      3       3.1623      2.00000
      4       5.3487      1.98372
      5       5.5952      1.82407
      6       7.2770      0.00000
      7       7.7226      0.00000
      8       8.1105      0.00000
      9       9.3695      0.00000
     10      10.9975      0.00000
     11      11.2121      0.00000
     12      12.4006      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.3657      2.00000
      2      -0.0326      2.00000
      3       3.2032      2.00000
      4       4.8645      1.99987
      5       5.4878      1.93616
      6       7.1027      0.00001
      7       7.8608      0.00000
      8       8.4283      0.00000
      9       9.8078      0.00000
     10      10.3014      0.00000
     11      11.4463      0.00000
     12      12.7225      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2128      2.00000
      2       0.1039      2.00000
      3       3.2951      2.00000
      4       3.9099      2.00000
      5       5.4465      1.95730
      6       6.3124      0.01579
      7       8.3172      0.00000
      8       9.3020      0.00000
      9       9.4023      0.00000
     10      10.4515      0.00000
     11      11.5766      0.00000
     12      12.3904      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.9601      2.00000
      2       0.3247      2.00000
      3       2.7966      2.00000
      4       3.6254      2.00000
      5       4.9713      1.99962
      6       6.0671      0.16928
      7       8.3200      0.00000
      8       8.6191      0.00000
      9      10.4777      0.00000
     10      10.6779      0.00000
     11      11.3649      0.00000
     12      12.9201      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.6127      2.00000
      2       0.6082      2.00000
      3       1.9207      2.00000
      4       3.7724      2.00000
      5       4.3493      2.00000
      6       6.2123      0.04241
      7       7.4893      0.00000
      8       8.8924      0.00000
      9       9.9952      0.00000
     10      11.0137      0.00000
     11      12.2485      0.00000
     12      12.5745      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.1861      2.00000
      2       0.7793      2.00000
      3       1.2957      2.00000
      4       3.3593      2.00000
      5       4.4411      2.00000
      6       6.2893      0.01985
      7       6.9080      0.00004
      8       9.0770      0.00000
      9       9.5636      0.00000
     10      11.1215      0.00000
     11      11.7773      0.00000
     12      13.9087      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.7587      2.00000
      2       0.3587      2.00000
      3       1.4037      2.00000
      4       2.9031      2.00000
      5       4.7743      1.99995
      6       5.9618      0.41927
      7       6.8872      0.00005
      8       8.8555      0.00000
      9       9.7347      0.00000
     10      10.8488      0.00000
     11      11.7425      0.00000
     12      13.7356      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.0452      2.00000
      2      -0.6419      2.00000
      3       3.5224      2.00000
      4       4.8178      1.99992
      5       6.0283      0.24000
      6       7.0908      0.00001
      7       7.6294      0.00000
      8       8.3201      0.00000
      9       8.7427      0.00000
     10      10.9890      0.00000
     11      11.3618      0.00000
     12      12.7330      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9927      2.00000
      2      -0.5971      2.00000
      3       3.5709      2.00000
      4       4.7986      1.99993
      5       5.3640      1.98106
      6       6.5757      0.00114
      7       8.3628      0.00000
      8       8.5483      0.00000
      9       9.1123      0.00000
     10      10.6479      0.00000
     11      11.1049      0.00000
     12      12.3454      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8353      2.00000
      2      -0.4642      2.00000
      3       3.7103      2.00000
      4       4.2335      2.00000
      5       4.7761      1.99995
      6       5.8812      0.74479
      7       8.6848      0.00000
      8       9.5296      0.00000
      9       9.6666      0.00000
     10       9.9195      0.00000
     11      10.9980      0.00000
     12      12.2049      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.5744      2.00000
      2      -0.2482      2.00000
      3       3.2017      2.00000
      4       3.9306      2.00000
      5       4.3247      2.00000
      6       5.6388      1.74024
      7       8.6208      0.00000
      8       8.9362      0.00000
      9       9.9313      0.00000
     10      10.5169      0.00000
     11      11.3344      0.00000
     12      13.0132      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.2127      2.00000
      2       0.0380      2.00000
      3       2.2525      2.00000
      4       3.5361      2.00000
      5       4.3587      2.00000
      6       5.7542      1.35764
      7       7.7019      0.00000
      8       9.2117      0.00000
      9       9.5098      0.00000
     10      10.6406      0.00000
     11      12.4927      0.00000
     12      12.8708      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.7594      2.00000
      2       0.3589      2.00000
      3       1.4039      2.00000
      4       2.9037      2.00000
      5       4.7735      1.99995
      6       5.9623      0.41747
      7       6.8872      0.00005
      8       8.8559      0.00000
      9       9.7339      0.00000
     10      10.8495      0.00000
     11      11.7425      0.00000
     12      13.7364      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.2686      2.00000
      2       0.5682      2.00000
      3       0.7649      2.00000
      4       2.4765      2.00000
      5       5.2233      1.99533
      6       6.0885      0.13899
      7       6.2803      0.02170
      8       8.5216      0.00000
      9      10.1692      0.00000
     10      10.9498      0.00000
     11      11.1621      0.00000
     12      13.5052      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.9332      2.00000
      2       1.3087      2.00000
      3       2.0654      2.00000
      4       5.0569      1.99911
      5       5.9884      0.33771
      6       7.0286      0.00001
      7       8.7712      0.00000
      8       9.2497      0.00000
      9       9.7781      0.00000
     10       9.9931      0.00000
     11      10.8318      0.00000
     12      11.9153      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.8828      2.00000
      2       1.3591      2.00000
      3       2.0977      2.00000
      4       4.4085      2.00000
      5       6.1904      0.05250
      6       7.5853      0.00000
      7       8.5445      0.00000
      8       8.7610      0.00000
      9       9.2911      0.00000
     10      10.2807      0.00000
     11      11.5021      0.00000
     12      12.3363      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7325      2.00000
      2       1.5082      2.00000
      3       2.1704      2.00000
      4       3.4460      2.00000
      5       6.3386      0.01217
      6       7.5129      0.00000
      7       8.2065      0.00000
      8       8.6515      0.00000
      9       9.2562      0.00000
     10      10.5196      0.00000
     11      12.4327      0.00000
     12      12.5707      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.4845      2.00000
      2       1.7258      2.00000
      3       2.0576      2.00000
      4       2.8022      2.00000
      5       6.3444      0.01150
      6       6.5625      0.00130
      7       7.5254      0.00000
      8       9.1766      0.00000
      9      10.1358      0.00000
     10      10.8211      0.00000
     11      11.7982      0.00000
     12      12.8731      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.1451      2.00000
      2       1.2706      2.00000
      3       2.1469      2.00000
      4       2.8741      2.00000
      5       5.5416      1.89313
      6       6.1497      0.07781
      7       7.3068      0.00000
      8       9.5022      0.00000
      9      10.5016      0.00000
     10      10.9312      0.00000
     11      12.2774      0.00000
     12      12.6239      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.7334      2.00000
      2       0.5182      2.00000
      3       2.5702      2.00000
      4       3.1450      2.00000
      5       4.7106      1.99997
      6       5.6250      1.76994
      7       7.4910      0.00000
      8       9.7508      0.00000
      9      10.1293      0.00000
     10      11.1245      0.00000
     11      12.0341      0.00000
     12      13.5601      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.3382      2.00000
      2      -0.0595      2.00000
      3       3.0020      2.00000
      4       3.4247      2.00000
      5       4.0234      2.00000
      6       5.2468      1.99410
      7       7.7066      0.00000
      8       9.5096      0.00000
      9      10.3163      0.00000
     10      11.2489      0.00000
     11      11.6091      0.00000
     12      13.3093      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.5968      2.00000
      2       0.8390      2.00000
      3       1.9340      2.00000
      4       5.2345      1.99478
      5       5.3940      1.97452
      6       7.2330      0.00000
      7       8.7345      0.00000
      8       9.0617      0.00000
      9       9.6838      0.00000
     10      10.4466      0.00000
     11      11.1625      0.00000
     12      12.0537      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.5462      2.00000
      2       0.8884      2.00000
      3       1.9722      2.00000
      4       4.6750      1.99998
      5       5.4088      1.97051
      6       7.8709      0.00000
      7       8.0691      0.00000
      8       9.0314      0.00000
      9       9.3210      0.00000
     10      11.0874      0.00000
     11      11.5490      0.00000
     12      12.2300      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3950      2.00000
      2       1.0347      2.00000
      3       2.0765      2.00000
      4       3.7133      2.00000
      5       5.4903      1.93463
      6       7.0632      0.00001
      7       8.1427      0.00000
      8       8.9866      0.00000
      9       9.6163      0.00000
     10      11.5008      0.00000
     11      12.0416      0.00000
     12      12.0521      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1454      2.00000
      2       1.2687      2.00000
      3       2.1476      2.00000
      4       2.8754      2.00000
      5       5.5405      1.89427
      6       6.1506      0.07716
      7       7.3082      0.00000
      8       9.5024      0.00000
      9      10.5057      0.00000
     10      10.9327      0.00000
     11      12.2705      0.00000
     12      12.6232      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.8031      2.00000
      2       1.4331      2.00000
      3       1.8039      2.00000
      4       2.7588      2.00000
      5       5.0421      1.99924
      6       5.7454      1.39533
      7       6.7349      0.00023
      8       9.6394      0.00000
      9      10.1253      0.00000
     10      12.0047      0.00000
     11      12.7287      0.00000
     12      12.7948      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.3856      2.00000
      2       0.8161      2.00000
      3       2.0819      2.00000
      4       3.0266      2.00000
      5       4.2783      2.00000
      6       5.3754      1.97880
      7       6.6601      0.00049
      8       9.1868      0.00000
      9      10.3333      0.00000
     10      12.1780      0.00000
     11      12.8395      0.00000
     12      13.4403      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.9773      2.00000
      2       0.2365      2.00000
      3       2.4682      2.00000
      4       3.3096      2.00000
      5       3.6524      2.00000
      6       5.0163      1.99941
      7       6.7823      0.00014
      8       8.8223      0.00000
      9      10.6541      0.00000
     10      11.7958      0.00000
     11      13.0829      0.00000
     12      13.7482      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.1914      2.00000
      2       0.1002      2.00000
      3       2.2497      2.00000
      4       4.5183      2.00000
      5       5.8130      1.08030
      6       7.5655      0.00000
      7       7.9338      0.00000
      8       9.1942      0.00000
      9      10.0337      0.00000
     10      10.0601      0.00000
     11      11.5667      0.00000
     12      12.2092      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.1402      2.00000
      2       0.1475      2.00000
      3       2.2938      2.00000
      4       4.4960      2.00000
      5       5.2404      1.99446
      6       7.3261      0.00000
      7       8.2807      0.00000
      8       9.4149      0.00000
      9       9.5026      0.00000
     10      10.4497      0.00000
     11      11.6998      0.00000
     12      12.1403      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9872      2.00000
      2       0.2882      2.00000
      3       2.4206      2.00000
      4       4.0145      2.00000
      5       4.7780      1.99995
      6       6.4040      0.00635
      7       8.4370      0.00000
      8       9.4202      0.00000
      9       9.8554      0.00000
     10      10.8962      0.00000
     11      11.3348      0.00000
     12      12.7094      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7342      2.00000
      2       0.5169      2.00000
      3       2.5702      2.00000
      4       3.1463      2.00000
      5       4.7103      1.99997
      6       5.6260      1.76801
      7       7.4925      0.00000
      8       9.7510      0.00000
      9      10.1305      0.00000
     10      11.1297      0.00000
     11      12.0349      0.00000
     12      13.5615      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.3860      2.00000
      2       0.8151      2.00000
      3       2.0831      2.00000
      4       3.0262      2.00000
      5       4.2786      2.00000
      6       5.3754      1.97880
      7       6.6608      0.00049
      8       9.1873      0.00000
      9      10.3330      0.00000
     10      12.1791      0.00000
     11      12.8448      0.00000
     12      13.4409      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.9575      2.00000
      2       1.0132      2.00000
      3       1.4734      2.00000
      4       3.2231      2.00000
      5       3.7624      2.00000
      6       5.3421      1.98477
      7       6.0844      0.14440
      8       8.6230      0.00000
      9      10.7069      0.00000
     10      12.4263      0.00000
     11      13.0033      0.00000
     12      14.1177      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.5248      2.00000
      2       0.5730      2.00000
      3       1.6273      2.00000
      4       2.9673      2.00000
      5       3.8443      2.00000
      6       5.0782      1.99890
      7       5.9652      0.40786
      8       8.2854      0.00000
      9      11.0712      0.00000
     10      12.1256      0.00000
     11      13.0417      0.00000
     12      14.6475      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.8097      2.00000
      2      -0.4644      2.00000
      3       2.5710      2.00000
      4       4.0058      2.00000
      5       6.2462      0.03040
      6       7.3040      0.00000
      7       7.8732      0.00000
      8       9.0482      0.00000
      9       9.9297      0.00000
     10      10.4260      0.00000
     11      11.6372      0.00000
     12      11.7977      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.7573      2.00000
      2      -0.4186      2.00000
      3       2.6207      2.00000
      4       4.0188      2.00000
      5       5.5699      1.86065
      6       6.7742      0.00016
      7       8.6474      0.00000
      8       9.5656      0.00000
      9       9.7709      0.00000
     10      10.0152      0.00000
     11      11.1319      0.00000
     12      12.0709      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6002      2.00000
      2      -0.2822      2.00000
      3       2.7685      2.00000
      4       4.0138      2.00000
      5       4.5399      1.99999
      6       5.9259      0.55048
      7       8.7131      0.00000
      8       9.9141      0.00000
      9      10.0575      0.00000
     10      10.3617      0.00000
     11      10.6759      0.00000
     12      12.5084      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.3396      2.00000
      2      -0.0600      2.00000
      3       3.0008      2.00000
      4       3.4260      2.00000
      5       4.0240      2.00000
      6       5.2481      1.99402
      7       7.7079      0.00000
      8       9.5114      0.00000
      9      10.3151      0.00000
     10      11.2519      0.00000
     11      11.6142      0.00000
     12      13.3140      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.9784      2.00000
      2       0.2362      2.00000
      3       2.4691      2.00000
      4       3.3091      2.00000
      5       3.6526      2.00000
      6       5.0170      1.99941
      7       6.7830      0.00014
      8       8.8233      0.00000
      9      10.6530      0.00000
     10      11.7966      0.00000
     11      13.0901      0.00000
     12      13.7492      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.5255      2.00000
      2       0.5732      2.00000
      3       1.6275      2.00000
      4       2.9678      2.00000
      5       3.8435      2.00000
      6       5.0788      1.99890
      7       5.9653      0.40783
      8       8.2859      0.00000
      9      11.0705      0.00000
     10      12.1263      0.00000
     11      13.0418      0.00000
     12      14.6543      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.0340      2.00000
      2       0.8024      2.00000
      3       0.9906      2.00000
      4       2.5515      2.00000
      5       4.2819      2.00000
      6       5.1395      1.99798
      7       5.3526      1.98309
      8       7.9794      0.00000
      9      11.5136      0.00000
     10      12.2834      0.00000
     11      12.4797      0.00000
     12      14.5590      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.2971      2.00000
      2       0.7389      2.00000
      3       1.4728      2.00000
      4       4.4877      2.00000
      5       5.6938      1.58922
      6       7.5103      0.00000
      7       8.7278      0.00000
      8       9.1351      0.00000
      9      10.0945      0.00000
     10      10.5246      0.00000
     11      11.2127      0.00000
     12      12.2407      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.2462      2.00000
      2       0.7906      2.00000
      3       1.5123      2.00000
      4       4.4531      2.00000
      5       5.1546      1.99765
      6       8.0250      0.00000
      7       8.1849      0.00000
      8       8.6349      0.00000
      9      10.5248      0.00000
     10      11.0189      0.00000
     11      11.5914      0.00000
     12      11.7207      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0942      2.00000
      2       0.9449      2.00000
      3       1.6256      2.00000
      4       3.9120      2.00000
      5       4.7889      1.99994
      6       6.9747      0.00002
      7       7.7133      0.00000
      8       9.4701      0.00000
      9      10.6205      0.00000
     10      11.0099      0.00000
     11      12.0706      0.00000
     12      12.3786      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8430      2.00000
      2       1.1991      2.00000
      3       1.7826      2.00000
      4       3.0171      2.00000
      5       4.8549      1.99988
      6       5.9489      0.46345
      7       6.8834      0.00005
      8       9.9075      0.00000
      9      10.7378      0.00000
     10      11.2811      0.00000
     11      12.5652      0.00000
     12      13.3423      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.4979      2.00000
      2       1.5226      2.00000
      3       1.7562      2.00000
      4       2.4360      2.00000
      5       4.8818      1.99985
      6       5.0404      1.99925
      7       6.2301      0.03560
      8       9.1897      0.00000
      9      11.2906      0.00000
     10      12.3399      0.00000
     11      13.1314      0.00000
     12      13.7905      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.0748      2.00000
      2       1.0805      2.00000
      3       2.0170      2.00000
      4       2.5556      2.00000
      5       4.1430      2.00000
      6       4.7941      1.99994
      7       5.9414      0.49092
      8       8.6090      0.00000
      9      11.6982      0.00000
     10      12.9406      0.00000
     11      13.6188      0.00000
     12      14.4229      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.6533      2.00000
      2       0.4985      2.00000
      3       2.4687      2.00000
      4       2.7972      2.00000
      5       3.4497      2.00000
      6       4.5431      1.99999
      7       5.9418      0.48912
      8       8.2673      0.00000
      9      12.0736      0.00000
     10      13.0247      0.00000
     11      13.4130      0.00000
     12      14.8009      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.8833      2.00000
      2       0.3120      2.00000
      3       1.4469      2.00000
      4       3.7745      2.00000
      5       6.1126      0.11085
      6       7.8674      0.00000
      7       8.2143      0.00000
      8       9.2265      0.00000
      9       9.7907      0.00000
     10      10.9139      0.00000
     11      11.2188      0.00000
     12      11.5340      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.8320      2.00000
      2       0.3618      2.00000
      3       1.4917      2.00000
      4       3.7920      2.00000
      5       5.4919      1.93358
      6       7.5774      0.00000
      7       8.5444      0.00000
      8       8.6819      0.00000
      9      10.4638      0.00000
     10      10.9095      0.00000
     11      11.2522      0.00000
     12      11.7924      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6786      2.00000
      2       0.5101      2.00000
      3       1.6236      2.00000
      4       3.7922      2.00000
      5       4.5520      1.99999
      6       6.5751      0.00115
      7       7.6773      0.00000
      8       9.7876      0.00000
      9      10.2143      0.00000
     10      11.1605      0.00000
     11      11.9418      0.00000
     12      12.8713      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4249      2.00000
      2       0.7535      2.00000
      3       1.8306      2.00000
      4       3.3037      2.00000
      5       4.1610      2.00000
      6       5.6039      1.80952
      7       6.7534      0.00019
      8       9.2983      0.00000
      9      11.1634      0.00000
     10      11.6629      0.00000
     11      12.9780      0.00000
     12      13.9400      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.0752      2.00000
      2       1.0794      2.00000
      3       2.0173      2.00000
      4       2.5561      2.00000
      5       4.1427      2.00000
      6       4.7949      1.99994
      7       5.9420      0.48864
      8       8.6096      0.00000
      9      11.6981      0.00000
     10      12.9466      0.00000
     11      13.6193      0.00000
     12      14.4158      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.6433      2.00000
      2       1.3371      2.00000
      3       1.6757      2.00000
      4       2.5822      2.00000
      5       3.7140      2.00000
      6       4.4754      2.00000
      7       5.3491      1.98367
      8       8.0773      0.00000
      9      12.1095      0.00000
     10      13.7253      0.00000
     11      14.2960      0.00000
     12      14.4192      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.2011      2.00000
      2       0.8613      2.00000
      3       1.9305      2.00000
      4       2.8625      2.00000
      5       3.1597      2.00000
      6       4.2995      2.00000
      7       5.1230      1.99829
      8       7.7772      0.00000
      9      12.4927      0.00000
     10      13.4703      0.00000
     11      14.3789      0.00000
     12      14.9494      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.4843      2.00000
      2      -0.2354      2.00000
      3       1.7005      2.00000
      4       3.2899      2.00000
      5       6.5471      0.00152
      6       7.5914      0.00000
      7       8.1920      0.00000
      8       9.4097      0.00000
      9       9.5861      0.00000
     10      10.9613      0.00000
     11      11.1758      0.00000
     12      11.3385      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.4319      2.00000
      2      -0.1878      2.00000
      3       1.7509      2.00000
      4       3.3116      2.00000
      5       5.8718      0.78949
      6       7.0257      0.00001
      7       8.8990      0.00000
      8       8.9770      0.00000
      9       9.9880      0.00000
     10      10.5788      0.00000
     11      11.4047      0.00000
     12      11.9234      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2751      2.00000
      2      -0.0460      2.00000
      3       1.9014      2.00000
      4       3.3668      2.00000
      5       4.8178      1.99992
      6       6.0921      0.13445
      7       7.8806      0.00000
      8       9.6448      0.00000
      9      10.3152      0.00000
     10      11.2140      0.00000
     11      11.6017      0.00000
     12      13.1214      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0150      2.00000
      2       0.1859      2.00000
      3       2.1488      2.00000
      4       3.3887      2.00000
      5       3.8306      2.00000
      6       5.2073      1.99602
      7       6.8709      0.00006
      8       8.9173      0.00000
      9      11.6369      0.00000
     10      11.8812      0.00000
     11      12.3963      0.00000
     12      13.7912      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.6544      2.00000
      2       0.4981      2.00000
      3       2.4679      2.00000
      4       2.7978      2.00000
      5       3.4502      2.00000
      6       4.5443      1.99999
      7       5.9425      0.48682
      8       8.2683      0.00000
      9      12.0725      0.00000
     10      13.0267      0.00000
     11      13.4196      0.00000
     12      14.8030      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.2017      2.00000
      2       0.8614      2.00000
      3       1.9308      2.00000
      4       2.8623      2.00000
      5       3.1597      2.00000
      6       4.3003      2.00000
      7       5.1230      1.99829
      8       7.7776      0.00000
      9      12.4919      0.00000
     10      13.4710      0.00000
     11      14.3792      0.00000
     12      14.9565      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.2915      2.00000
      2       1.1266      2.00000
      3       1.2988      2.00000
      4       2.6365      2.00000
      5       3.4212      2.00000
      6       4.2714      2.00000
      7       4.5044      2.00000
      8       7.5072      0.00000
      9      12.9323      0.00000
     10      13.6703      0.00000
     11      13.8589      0.00000
     12      15.7315      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.5111      2.00000
      2       0.3542      2.00000
      3       0.9524      2.00000
      4       3.1629      2.00000
      5       6.4799      0.00298
      6       8.2050      0.00000
      7       8.3863      0.00000
      8       8.6653      0.00000
      9       9.8564      0.00000
     10      10.6330      0.00000
     11      10.8293      0.00000
     12      12.4383      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.4595      2.00000
      2       0.4064      2.00000
      3       0.9979      2.00000
      4       3.1870      2.00000
      5       5.8363      0.96384
      6       7.6789      0.00000
      7       8.1218      0.00000
      8       8.9380      0.00000
      9      10.3293      0.00000
     10      10.6525      0.00000
     11      11.3480      0.00000
     12      12.5499      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.3051      2.00000
      2       0.5625      2.00000
      3       1.1325      2.00000
      4       3.2499      2.00000
      5       4.8172      1.99992
      6       6.6082      0.00083
      7       7.1950      0.00000
      8       9.5068      0.00000
      9      10.3198      0.00000
     10      11.9360      0.00000
     11      12.4430      0.00000
     12      12.8120      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0495      2.00000
      2       0.8214      2.00000
      3       1.3490      2.00000
      4       3.2722      2.00000
      5       3.9047      2.00000
      6       5.5721      1.85776
      7       6.2689      0.02428
      8       8.7943      0.00000
      9      11.7182      0.00000
     10      12.8949      0.00000
     11      13.3543      0.00000
     12      13.8431      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.6964      2.00000
      2       1.1796      2.00000
      3       1.6224      2.00000
      4       2.7490      2.00000
      5       3.6542      2.00000
      6       4.6189      1.99999
      7       5.4353      1.96174
      8       8.1513      0.00000
      9      13.0159      0.00000
     10      13.4638      0.00000
     11      14.4753      0.00000
     12      14.7167      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.2575      2.00000
      2       1.6077      2.00000
      3       1.7416      2.00000
      4       2.1994      2.00000
      5       3.7067      2.00000
      6       3.7847      2.00000
      7       4.7629      1.99995
      8       7.6671      0.00000
      9      13.5537      0.00000
     10      14.6277      0.00000
     11      15.0115      0.00000
     12      15.3948      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.2031      2.00000
      2       1.1960      2.00000
      3       2.1183      2.00000
      4       2.3569      2.00000
      5       3.0642      2.00000
      6       3.7314      2.00000
      7       4.3849      2.00000
      8       7.4018      0.00000
      9      13.9495      0.00000
     10      14.7931      0.00000
     11      15.3125      0.00000
     12      15.6237      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -1.0795      2.00000
      2       0.0080      2.00000
      3       0.9320      2.00000
      4       2.7160      2.00000
      5       6.9194      0.00004
      6       7.9259      0.00000
      7       8.5825      0.00000
      8       8.8548      0.00000
      9       9.6032      0.00000
     10      10.2583      0.00000
     11      10.4824      0.00000
     12      12.7378      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -1.0272      2.00000
      2       0.0581      2.00000
      3       0.9829      2.00000
      4       2.7396      2.00000
      5       6.2476      0.02997
      6       7.2986      0.00000
      7       8.1870      0.00000
      8       9.3291      0.00000
      9       9.8184      0.00000
     10      10.4161      0.00000
     11      11.2459      0.00000
     12      12.8539      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8707      2.00000
      2       0.2077      2.00000
      3       1.1348      2.00000
      4       2.8066      2.00000
      5       5.1922      1.99658
      6       6.2872      0.02026
      7       7.1488      0.00000
      8       9.1357      0.00000
      9      10.6869      0.00000
     10      11.6333      0.00000
     11      12.5255      0.00000
     12      13.0242      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6110      2.00000
      2       0.4542      2.00000
      3       1.3857      2.00000
      4       2.9014      2.00000
      5       4.1673      2.00000
      6       5.2998      1.98999
      7       6.1354      0.08925
      8       8.4475      0.00000
      9      12.1403      0.00000
     10      12.9584      0.00000
     11      13.2930      0.00000
     12      13.9097      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.2507      2.00000
      2       0.7907      2.00000
      3       1.7294      2.00000
      4       2.9420      2.00000
      5       3.2821      2.00000
      6       4.4133      2.00000
      7       5.2047      1.99612
      8       7.8479      0.00000
      9      13.4553      0.00000
     10      13.8070      0.00000
     11      14.1900      0.00000
     12      15.1912      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.2024      2.00000
      2       1.1959      2.00000
      3       2.1179      2.00000
      4       2.3568      2.00000
      5       3.0646      2.00000
      6       3.7323      2.00000
      7       4.3850      2.00000
      8       7.4021      0.00000
      9      13.9488      0.00000
     10      14.7943      0.00000
     11      15.3192      0.00000
     12      15.6254      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.7004      2.00000
      2       1.5313      2.00000
      3       1.6689      2.00000
      4       2.5893      2.00000
      5       2.7892      2.00000
      6       3.5019      2.00000
      7       3.7588      2.00000
      8       7.1612      0.00000
      9      14.3862      0.00000
     10      15.0593      0.00000
     11      15.2510      0.00000
     12      16.5798      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.6564      2.00000
      2       0.1582      2.00000
      3       0.3558      2.00000
      4       2.3703      2.00000
      5       7.2977      0.00000
      6       8.2015      0.00000
      7       8.3085      0.00000
      8       8.9856      0.00000
      9       9.6851      0.00000
     10       9.7862      0.00000
     11       9.9298      0.00000
     12      12.9053      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.6041      2.00000
      2       0.2105      2.00000
      3       0.4071      2.00000
      4       2.3931      2.00000
      5       6.6309      0.00066
      6       7.4915      0.00000
      7       7.6429      0.00000
      8       9.4399      0.00000
      9       9.7623      0.00000
     10      10.4817      0.00000
     11      10.7081      0.00000
     12      13.3061      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.4474      2.00000
      2       0.3673      2.00000
      3       0.5604      2.00000
      4       2.4586      2.00000
      5       5.5763      1.85209
      6       6.4173      0.00556
      7       6.5983      0.00091
      8       8.8332      0.00000
      9      11.0681      0.00000
     10      11.8014      0.00000
     11      12.0045      0.00000
     12      14.2337      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1871      2.00000
      2       0.6276      2.00000
      3       0.8140      2.00000
      4       2.5577      2.00000
      5       4.5452      1.99999
      6       5.3783      1.97818
      7       5.5787      1.84876
      8       8.1833      0.00000
      9      12.5253      0.00000
     10      13.2302      0.00000
     11      13.4255      0.00000
     12      14.7005      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1747      2.00000
      2       0.9889      2.00000
      3       1.1632      2.00000
      4       2.6715      2.00000
      5       3.5961      2.00000
      6       4.4221      2.00000
      7       4.6416      1.99999
      8       7.6187      0.00000
      9      14.0342      0.00000
     10      14.6684      0.00000
     11      14.8686      0.00000
     12      15.0462      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.6321      2.00000
      2       1.4436      2.00000
      3       1.5924      2.00000
      4       2.6692      2.00000
      5       2.8546      2.00000
      6       3.5673      2.00000
      7       3.8137      2.00000
      8       7.2014      0.00000
      9      15.2760      0.00000
     10      15.6682      0.00000
     11      15.9126      0.00000
     12      16.1454      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.1470      2.00000
      2       1.9383      2.00000
      3       1.9605      2.00000
      4       2.0797      2.00000
      5       2.8586      2.00000
      6       2.8897      2.00000
      7       3.1667      2.00000
      8       6.9777      0.00002
      9      15.7683      0.00000
     10      16.3186      0.00000
     11      16.5168      0.00000
     12      16.8728      0.00000

 k-point   197 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.7265      2.00000
      2       2.9022      2.00000
      3       4.2617      2.00000
      4       4.2666      2.00000
      5       5.3207      1.98768
      6       5.4679      1.94742
      7       7.3837      0.00000
      8      10.8209      0.00000
      9      10.8252      0.00000
     10      11.4222      0.00000
     11      12.5256      0.00000
     12      12.7291      0.00000

 k-point   198 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.6767      2.00000
      2       2.9234      2.00000
      3       3.6055      2.00000
      4       4.3109      2.00000
      5       5.3969      1.97378
      6       6.0205      0.25695
      7       7.6119      0.00000
      8      10.1164      0.00000
      9      10.8341      0.00000
     10      11.6155      0.00000
     11      11.6584      0.00000
     12      12.2545      0.00000

 k-point   199 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5282      2.00000
      2       2.4619      2.00000
      3       3.1835      2.00000
      4       4.4581      2.00000
      5       5.5538      1.88014
      6       6.5622      0.00131
      7       8.4190      0.00000
      8       9.1405      0.00000
      9      10.3366      0.00000
     10      11.1249      0.00000
     11      11.1773      0.00000
     12      12.0990      0.00000

 k-point   200 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.2838      2.00000
      2       1.4981      2.00000
      3       3.3921      2.00000
      4       4.7023      1.99997
      5       5.8102      1.09378
      6       6.8079      0.00011
      7       8.1364      0.00000
      8       9.3379      0.00000
      9       9.7741      0.00000
     10      10.3107      0.00000
     11      11.3201      0.00000
     12      11.7696      0.00000

 k-point   201 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.9509      2.00000
      2       0.5946      2.00000
      3       3.7173      2.00000
      4       5.0400      1.99925
      5       6.1597      0.07068
      6       6.8028      0.00012
      7       7.4611      0.00000
      8       8.4083      0.00000
      9       9.4373      0.00000
     10      11.0250      0.00000
     11      11.5448      0.00000
     12      11.6359      0.00000

 k-point   202 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.5526      2.00000
      2      -0.1902      2.00000
      3       4.1201      2.00000
      4       5.4597      1.95142
      5       6.2110      0.04292
      6       6.6623      0.00048
      7       7.3819      0.00000
      8       7.5905      0.00000
      9       8.6231      0.00000
     10      10.8324      0.00000
     11      12.0230      0.00000
     12      12.8611      0.00000

 k-point   203 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.1856      2.00000
      2      -0.7516      2.00000
      3       4.5164      2.00000
      4       5.6785      1.63680
      5       5.8937      0.68777
      6       6.9570      0.00003
      7       7.1620      0.00000
      8       7.4618      0.00000
      9       7.9016      0.00000
     10      10.6284      0.00000
     11      12.3859      0.00000
     12      13.4328      0.00000

 k-point   204 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.5949      2.00000
      2       1.9511      2.00000
      3       4.3939      2.00000
      4       4.3987      2.00000
      5       5.6111      1.79677
      6       6.2013      0.04722
      7       7.7695      0.00000
      8       9.8070      0.00000
      9       9.8114      0.00000
     10      10.7277      0.00000
     11      12.1406      0.00000
     12      12.8545      0.00000

 k-point   205 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.5450      2.00000
      2       1.9887      2.00000
      3       3.7341      2.00000
      4       4.4430      2.00000
      5       5.9388      0.50024
      6       6.5694      0.00122
      7       7.8961      0.00000
      8       9.1867      0.00000
      9       9.8503      0.00000
     10      11.1240      0.00000
     11      11.7023      0.00000
     12      12.3459      0.00000

 k-point   206 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3961      2.00000
      2       2.0515      2.00000
      3       2.7866      2.00000
      4       4.5902      1.99999
      5       6.1375      0.08747
      6       7.1986      0.00000
      7       8.0924      0.00000
      8       8.7307      0.00000
      9       9.9512      0.00000
     10      10.6063      0.00000
     11      11.3114      0.00000
     12      12.1208      0.00000

 k-point   207 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.1509      2.00000
      2       1.5620      2.00000
      3       2.5145      2.00000
      4       4.8342      1.99990
      5       6.2984      0.01814
      6       7.1299      0.00000
      7       7.7372      0.00000
      8       9.4445      0.00000
      9       9.8791      0.00000
     10      10.3090      0.00000
     11      10.8721      0.00000
     12      11.8443      0.00000

 k-point   208 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.8168      2.00000
      2       0.7011      2.00000
      3       2.7864      2.00000
      4       5.1718      1.99721
      5       6.0165      0.26613
      6       6.9536      0.00003
      7       7.9060      0.00000
      8       8.5343      0.00000
      9      10.1078      0.00000
     10      10.6071      0.00000
     11      11.3177      0.00000
     12      11.5696      0.00000

 k-point   209 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.4157      2.00000
      2      -0.0770      2.00000
      3       3.1633      2.00000
      4       5.3497      1.98356
      5       5.5914      1.83004
      6       7.2727      0.00000
      7       7.7197      0.00000
      8       8.1106      0.00000
      9       9.3680      0.00000
     10      10.9941      0.00000
     11      11.2113      0.00000
     12      12.3985      0.00000

 k-point   210 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.0435      2.00000
      2      -0.6410      2.00000
      3       3.5241      2.00000
      4       4.8181      1.99992
      5       6.0252      0.24672
      6       7.0871      0.00001
      7       7.6247      0.00000
      8       8.3195      0.00000
      9       8.7424      0.00000
     10      10.9877      0.00000
     11      11.3591      0.00000
     12      12.7293      0.00000

 k-point   211 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.5450      2.00000
      2       1.9886      2.00000
      3       3.7300      2.00000
      4       4.4478      2.00000
      5       5.9429      0.48503
      6       6.5656      0.00126
      7       7.8948      0.00000
      8       9.1832      0.00000
      9       9.8547      0.00000
     10      11.1260      0.00000
     11      11.7024      0.00000
     12      12.3431      0.00000

 k-point   212 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.4951      2.00000
      2       2.0277      2.00000
      3       3.6294      2.00000
      4       3.9598      2.00000
      5       6.5640      0.00128
      6       6.6336      0.00064
      7       7.9966      0.00000
      8       9.0434      0.00000
      9       9.4478      0.00000
     10      11.0081      0.00000
     11      11.5596      0.00000
     12      12.4913      0.00000

 k-point   213 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3461      2.00000
      2       2.0983      2.00000
      3       2.8007      2.00000
      4       3.9849      2.00000
      5       6.7504      0.00020
      6       7.3210      0.00000
      7       8.1388      0.00000
      8       8.6810      0.00000
      9       9.3536      0.00000
     10      10.1360      0.00000
     11      11.8604      0.00000
     12      12.4889      0.00000

 k-point   214 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1008      2.00000
      2       1.6102      2.00000
      3       2.5413      2.00000
      4       4.2068      2.00000
      5       6.8514      0.00007
      6       7.2072      0.00000
      7       7.8695      0.00000
      8       8.8539      0.00000
      9       9.5302      0.00000
     10      10.2105      0.00000
     11      11.4095      0.00000
     12      12.2859      0.00000

 k-point   215 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.7663      2.00000
      2       0.7476      2.00000
      3       2.8214      2.00000
      4       4.5163      2.00000
      5       6.1905      0.05245
      6       7.4073      0.00000
      7       7.7419      0.00000
      8       8.3547      0.00000
      9       9.9424      0.00000
     10      10.5979      0.00000
     11      11.4583      0.00000
     12      11.9624      0.00000

 k-point   216 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.3646      2.00000
      2      -0.0310      2.00000
      3       3.2042      2.00000
      4       4.8617      1.99987
      5       5.4884      1.93583
      6       7.1002      0.00001
      7       7.8575      0.00000
      8       8.4271      0.00000
      9       9.8062      0.00000
     10      10.2984      0.00000
     11      11.4449      0.00000
     12      12.7214      0.00000

 k-point   217 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.9909      2.00000
      2      -0.5963      2.00000
      3       3.5726      2.00000
      4       4.7987      1.99993
      5       5.3614      1.98155
      6       6.5727      0.00118
      7       8.3589      0.00000
      8       8.5484      0.00000
      9       9.1101      0.00000
     10      10.6453      0.00000
     11      11.1028      0.00000
     12      12.3425      0.00000

 k-point   218 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.3791      2.00000
      2       1.0442      2.00000
      3       4.6124      1.99999
      4       4.6173      1.99999
      5       5.8491      0.90034
      6       6.7204      0.00027
      7       8.6685      0.00000
      8       8.8696      0.00000
      9       8.8741      0.00000
     10       9.9274      0.00000
     11      11.7099      0.00000
     12      13.0570      0.00000

 k-point   219 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.3290      2.00000
      2       1.0865      2.00000
      3       3.9500      2.00000
      4       4.6615      1.99998
      5       6.1983      0.04861
      6       7.1314      0.00000
      7       8.2057      0.00000
      8       8.8052      0.00000
      9       8.9169      0.00000
     10      10.3801      0.00000
     11      11.9041      0.00000
     12      11.9238      0.00000

 k-point   220 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1793      2.00000
      2       1.2045      2.00000
      3       2.9425      2.00000
      4       4.8086      1.99993
      5       6.3449      0.01143
      6       7.3542      0.00000
      7       8.1453      0.00000
      8       9.0555      0.00000
      9       9.0796      0.00000
     10      10.7694      0.00000
     11      10.7755      0.00000
     12      12.3374      0.00000

 k-point   221 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9328      2.00000
      2       1.3099      2.00000
      3       2.0675      2.00000
      4       5.0525      1.99915
      5       5.9892      0.33549
      6       7.0250      0.00001
      7       8.7725      0.00000
      8       9.2459      0.00000
      9       9.7762      0.00000
     10       9.9979      0.00000
     11      10.8287      0.00000
     12      11.9129      0.00000

 k-point   222 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.5961      2.00000
      2       0.8413      2.00000
      3       1.9346      2.00000
      4       5.2360      1.99470
      5       5.3898      1.97555
      6       7.2280      0.00000
      7       8.7322      0.00000
      8       9.0620      0.00000
      9       9.6800      0.00000
     10      10.4432      0.00000
     11      11.1639      0.00000
     12      12.0573      0.00000

 k-point   223 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.1903      2.00000
      2       0.1018      2.00000
      3       2.2508      2.00000
      4       4.5193      2.00000
      5       5.8092      1.09900
      6       7.5605      0.00000
      7       7.9309      0.00000
      8       9.1928      0.00000
      9      10.0325      0.00000
     10      10.0568      0.00000
     11      11.5632      0.00000
     12      12.2097      0.00000

 k-point   224 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.8080      2.00000
      2      -0.4635      2.00000
      3       2.5727      2.00000
      4       4.0061      2.00000
      5       6.2430      0.03135
      6       7.3003      0.00000
      7       7.8684      0.00000
      8       9.0444      0.00000
      9       9.9314      0.00000
     10      10.4233      0.00000
     11      11.6360      0.00000
     12      11.7940      0.00000

 k-point   225 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.3290      2.00000
      2       1.0865      2.00000
      3       3.9457      2.00000
      4       4.6663      1.99998
      5       6.2019      0.04691
      6       7.1270      0.00000
      7       8.2022      0.00000
      8       8.8052      0.00000
      9       8.9214      0.00000
     10      10.3812      0.00000
     11      11.9041      0.00000
     12      11.9216      0.00000

 k-point   226 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.2789      2.00000
      2       1.1293      2.00000
      3       3.8562      2.00000
      4       4.1619      2.00000
      5       6.7835      0.00014
      6       7.2721      0.00000
      7       8.1294      0.00000
      8       8.3664      0.00000
      9       9.0206      0.00000
     10      10.8342      0.00000
     11      11.1728      0.00000
     12      12.1437      0.00000

 k-point   227 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1292      2.00000
      2       1.2492      2.00000
      3       2.9686      2.00000
      4       4.1884      2.00000
      5       6.9168      0.00004
      6       7.5153      0.00000
      7       8.1282      0.00000
      8       8.4455      0.00000
      9       9.2432      0.00000
     10      10.2317      0.00000
     11      11.3489      0.00000
     12      12.6600      0.00000

 k-point   228 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.8825      2.00000
      2       1.3602      2.00000
      3       2.0996      2.00000
      4       4.4046      2.00000
      5       6.1923      0.05155
      6       7.5800      0.00000
      7       8.5419      0.00000
      8       8.7606      0.00000
      9       9.2917      0.00000
     10      10.2855      0.00000
     11      11.4979      0.00000
     12      12.3332      0.00000

 k-point   229 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.5456      2.00000
      2       0.8906      2.00000
      3       1.9728      2.00000
      4       4.6719      1.99998
      5       5.4099      1.97021
      6       7.8654      0.00000
      7       8.0670      0.00000
      8       9.0289      0.00000
      9       9.3208      0.00000
     10      11.0841      0.00000
     11      11.5538      0.00000
     12      12.2284      0.00000

 k-point   230 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.1391      2.00000
      2       0.1491      2.00000
      3       2.2948      2.00000
      4       4.4966      2.00000
      5       5.2375      1.99462
      6       7.3234      0.00000
      7       8.2754      0.00000
      8       9.4120      0.00000
      9       9.5025      0.00000
     10      10.4471      0.00000
     11      11.6982      0.00000
     12      12.1371      0.00000

 k-point   231 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.7555      2.00000
      2      -0.4177      2.00000
      3       2.6224      2.00000
      4       4.0190      2.00000
      5       5.5671      1.86421
      6       6.7710      0.00016
      7       8.6422      0.00000
      8       9.5623      0.00000
      9       9.7685      0.00000
     10      10.0160      0.00000
     11      11.1295      0.00000
     12      12.0694      0.00000

 k-point   232 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -3.1795      2.00000
      2       1.2042      2.00000
      3       2.9390      2.00000
      4       4.8133      1.99992
      5       6.3489      0.01099
      6       7.3522      0.00000
      7       8.1407      0.00000
      8       9.0599      0.00000
      9       9.0783      0.00000
     10      10.7703      0.00000
     11      10.7790      0.00000
     12      12.3382      0.00000

 k-point   233 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -3.1293      2.00000
      2       1.2490      2.00000
      3       2.9654      2.00000
      4       4.1923      2.00000
      5       6.9182      0.00004
      6       7.5164      0.00000
      7       8.1247      0.00000
      8       8.4477      0.00000
      9       9.2418      0.00000
     10      10.2324      0.00000
     11      11.3524      0.00000
     12      12.6554      0.00000

 k-point   234 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9794      2.00000
      2       1.3761      2.00000
      3       2.8771      2.00000
      4       3.4123      2.00000
      5       7.1155      0.00001
      6       7.5496      0.00000
      7       8.3884      0.00000
      8       8.3979      0.00000
      9       8.9397      0.00000
     10       9.8979      0.00000
     11      12.1323      0.00000
     12      12.9396      0.00000

 k-point   235 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7323      2.00000
      2       1.5091      2.00000
      3       2.1720      2.00000
      4       3.4432      2.00000
      5       6.3408      0.01191
      6       7.5105      0.00000
      7       8.2053      0.00000
      8       8.6470      0.00000
      9       9.2570      0.00000
     10      10.5246      0.00000
     11      12.4301      0.00000
     12      12.5701      0.00000

 k-point   236 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.3945      2.00000
      2       1.0369      2.00000
      3       2.0768      2.00000
      4       3.7106      2.00000
      5       5.4918      1.93366
      6       7.0616      0.00001
      7       8.1402      0.00000
      8       8.9825      0.00000
      9       9.6148      0.00000
     10      11.5025      0.00000
     11      12.0464      0.00000
     12      12.0507      0.00000

 k-point   237 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.9862      2.00000
      2       0.2897      2.00000
      3       2.4214      2.00000
      4       4.0125      2.00000
      5       4.7784      1.99995
      6       6.4020      0.00647
      7       8.4347      0.00000
      8       9.4164      0.00000
      9       9.8538      0.00000
     10      10.8944      0.00000
     11      11.3326      0.00000
     12      12.7082      0.00000

 k-point   238 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.5986      2.00000
      2      -0.2815      2.00000
      3       2.7701      2.00000
      4       4.0135      2.00000
      5       4.5380      2.00000
      6       5.9235      0.56012
      7       8.7111      0.00000
      8       9.9099      0.00000
      9      10.0569      0.00000
     10      10.3591      0.00000
     11      10.6731      0.00000
     12      12.5063      0.00000

 k-point   239 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -3.0881      2.00000
      2       0.2256      2.00000
      3       4.9130      1.99979
      4       4.9178      1.99978
      5       6.1803      0.05793
      6       6.9694      0.00002
      7       8.0265      0.00000
      8       8.0310      0.00000
      9       9.1341      0.00000
     10       9.8912      0.00000
     11      11.3775      0.00000
     12      13.3216      0.00000

 k-point   240 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -3.0375      2.00000
      2       0.2695      2.00000
      3       4.2453      2.00000
      4       4.9620      1.99966
      5       6.4650      0.00346
      6       7.2994      0.00000
      7       7.6036      0.00000
      8       8.0748      0.00000
      9       9.5745      0.00000
     10      10.0237      0.00000
     11      11.5461      0.00000
     12      12.1828      0.00000

 k-point   241 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8865      2.00000
      2       0.3980      2.00000
      3       3.2181      2.00000
      4       5.1089      1.99851
      5       6.1450      0.08141
      6       7.0616      0.00001
      7       8.2189      0.00000
      8       8.5929      0.00000
      9       9.9136      0.00000
     10      10.4162      0.00000
     11      11.0454      0.00000
     12      12.0931      0.00000

 k-point   242 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6374      2.00000
      2       0.5943      2.00000
      3       2.2398      2.00000
      4       5.3154      1.98831
      5       5.3525      1.98311
      6       7.2132      0.00000
      7       8.4532      0.00000
      8       9.7332      0.00000
      9      10.0108      0.00000
     10      10.1894      0.00000
     11      10.7932      0.00000
     12      12.0411      0.00000

 k-point   243 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.2964      2.00000
      2       0.7404      2.00000
      3       1.4745      2.00000
      4       4.4894      2.00000
      5       5.6896      1.60269
      6       7.5049      0.00000
      7       8.7243      0.00000
      8       9.1325      0.00000
      9      10.0913      0.00000
     10      10.5229      0.00000
     11      11.2132      0.00000
     12      12.2460      0.00000

 k-point   244 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.8822      2.00000
      2       0.3137      2.00000
      3       1.4481      2.00000
      4       3.7755      2.00000
      5       6.1089      0.11486
      6       7.8622      0.00000
      7       8.2114      0.00000
      8       9.2231      0.00000
      9       9.7864      0.00000
     10      10.9116      0.00000
     11      11.2177      0.00000
     12      11.5311      0.00000

 k-point   245 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.4825      2.00000
      2      -0.2344      2.00000
      3       1.7022      2.00000
      4       3.2901      2.00000
      5       6.5440      0.00157
      6       7.5877      0.00000
      7       8.1871      0.00000
      8       9.4049      0.00000
      9       9.5833      0.00000
     10      10.9577      0.00000
     11      11.1712      0.00000
     12      11.3403      0.00000

 k-point   246 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -3.0376      2.00000
      2       0.2694      2.00000
      3       4.2411      2.00000
      4       4.9668      1.99964
      5       6.4686      0.00333
      6       7.2937      0.00000
      7       7.6017      0.00000
      8       8.0794      0.00000
      9       9.5758      0.00000
     10      10.0226      0.00000
     11      11.5446      0.00000
     12      12.1829      0.00000

 k-point   247 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.9870      2.00000
      2       0.3136      2.00000
      3       4.1698      2.00000
      4       4.4302      2.00000
      5       6.9966      0.00002
      6       7.3170      0.00000
      7       7.3911      0.00000
      8       8.0314      0.00000
      9      10.0638      0.00000
     10      10.0656      0.00000
     11      11.3391      0.00000
     12      11.8571      0.00000

 k-point   248 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.8360      2.00000
      2       0.4430      2.00000
      3       3.2508      2.00000
      4       4.4622      2.00000
      5       6.3380      0.01225
      6       7.5013      0.00000
      7       7.7220      0.00000
      8       8.7915      0.00000
      9      10.1016      0.00000
     10      10.4341      0.00000
     11      10.8043      0.00000
     12      12.2898      0.00000

 k-point   249 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.5868      2.00000
      2       0.6413      2.00000
      3       2.2796      2.00000
      4       4.6484      1.99999
      5       5.4763      1.94291
      6       7.7456      0.00000
      7       7.9739      0.00000
      8       9.3572      0.00000
      9       9.9660      0.00000
     10      10.5658      0.00000
     11      11.1659      0.00000
     12      12.4371      0.00000

 k-point   250 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.2456      2.00000
      2       0.7920      2.00000
      3       1.5139      2.00000
      4       4.4540      2.00000
      5       5.1516      1.99772
      6       8.0216      0.00000
      7       8.1794      0.00000
      8       8.6326      0.00000
      9      10.5252      0.00000
     10      11.0145      0.00000
     11      11.5893      0.00000
     12      11.7233      0.00000

 k-point   251 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.8309      2.00000
      2       0.3635      2.00000
      3       1.4928      2.00000
      4       3.7929      2.00000
      5       5.4886      1.93566
      6       7.5747      0.00000
      7       8.5395      0.00000
      8       8.6782      0.00000
      9      10.4600      0.00000
     10      10.9076      0.00000
     11      11.2510      0.00000
     12      11.7889      0.00000

 k-point   252 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.4302      2.00000
      2      -0.1868      2.00000
      3       1.7526      2.00000
      4       3.3117      2.00000
      5       5.8690      0.80294
      6       7.0224      0.00001
      7       8.8959      0.00000
      8       8.9723      0.00000
      9       9.9830      0.00000
     10      10.5756      0.00000
     11      11.4066      0.00000
     12      11.9185      0.00000

 k-point   253 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.8867      2.00000
      2       0.3977      2.00000
      3       3.2145      2.00000
      4       5.1136      1.99844
      5       6.1440      0.08219
      6       7.0649      0.00001
      7       8.2233      0.00000
      8       8.5875      0.00000
      9       9.9159      0.00000
     10      10.4159      0.00000
     11      11.0462      0.00000
     12      12.0891      0.00000

 k-point   254 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.8361      2.00000
      2       0.4428      2.00000
      3       3.2474      2.00000
      4       4.4662      2.00000
      5       6.3356      0.01254
      6       7.5065      0.00000
      7       7.7248      0.00000
      8       8.7862      0.00000
      9      10.1019      0.00000
     10      10.4366      0.00000
     11      10.8044      0.00000
     12      12.2859      0.00000

 k-point   255 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6849      2.00000
      2       0.5753      2.00000
      3       3.1963      2.00000
      4       3.6330      2.00000
      5       6.2766      0.02252
      6       6.8844      0.00005
      7       8.6962      0.00000
      8       9.0990      0.00000
      9       9.3255      0.00000
     10      10.5873      0.00000
     11      11.5172      0.00000
     12      12.4067      0.00000

 k-point   256 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4355      2.00000
      2       0.7802      2.00000
      3       2.3867      2.00000
      4       3.6790      2.00000
      5       5.5542      1.87970
      6       6.8810      0.00005
      7       8.4066      0.00000
      8       9.1367      0.00000
      9      10.1488      0.00000
     10      10.8977      0.00000
     11      11.7588      0.00000
     12      12.1741      0.00000

 k-point   257 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.0937      2.00000
      2       0.9461      2.00000
      3       1.6270      2.00000
      4       3.9097      2.00000
      5       4.7899      1.99994
      6       6.9724      0.00002
      7       7.7116      0.00000
      8       9.4637      0.00000
      9      10.6203      0.00000
     10      11.0107      0.00000
     11      12.0712      0.00000
     12      12.3784      0.00000

 k-point   258 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.6776      2.00000
      2       0.5117      2.00000
      3       1.6245      2.00000
      4       3.7924      2.00000
      5       4.5499      1.99999
      6       6.5730      0.00117
      7       7.6750      0.00000
      8       9.7820      0.00000
      9      10.2118      0.00000
     10      11.1606      0.00000
     11      11.9381      0.00000
     12      12.8669      0.00000

 k-point   259 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.2735      2.00000
      2      -0.0452      2.00000
      3       1.9030      2.00000
      4       3.3668      2.00000
      5       4.8157      1.99992
      6       6.0894      0.13777
      7       7.8787      0.00000
      8       9.6420      0.00000
      9      10.3095      0.00000
     10      11.2100      0.00000
     11      11.6025      0.00000
     12      13.1173      0.00000

 k-point   260 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.6378      2.00000
      2       0.5937      2.00000
      3       2.2370      2.00000
      4       5.3134      1.98855
      5       5.3570      1.98234
      6       7.2184      0.00000
      7       8.4573      0.00000
      8       9.7309      0.00000
      9      10.0124      0.00000
     10      10.1910      0.00000
     11      10.7911      0.00000
     12      12.0431      0.00000

 k-point   261 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.5871      2.00000
      2       0.6408      2.00000
      3       2.2769      2.00000
      4       4.6518      1.99998
      5       5.4746      1.94384
      6       7.7505      0.00000
      7       7.9783      0.00000
      8       9.3585      0.00000
      9       9.9611      0.00000
     10      10.5671      0.00000
     11      11.1667      0.00000
     12      12.4398      0.00000

 k-point   262 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4357      2.00000
      2       0.7799      2.00000
      3       2.3843      2.00000
      4       3.6820      2.00000
      5       5.5523      1.88183
      6       6.8836      0.00005
      7       8.4075      0.00000
      8       9.1429      0.00000
      9      10.1439      0.00000
     10      10.8957      0.00000
     11      11.7612      0.00000
     12      12.1759      0.00000

 k-point   263 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1857      2.00000
      2       0.9991      2.00000
      3       2.3794      2.00000
      4       2.9277      2.00000
      5       5.4863      1.93712
      6       6.1324      0.09184
      7       7.5345      0.00000
      8      10.3792      0.00000
      9      10.4427      0.00000
     10      10.5936      0.00000
     11      11.6951      0.00000
     12      12.9785      0.00000

 k-point   264 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.8427      2.00000
      2       1.2001      2.00000
      3       1.7836      2.00000
      4       3.0152      2.00000
      5       4.8561      1.99988
      6       5.9473      0.46914
      7       6.8826      0.00005
      8       9.9067      0.00000
      9      10.7337      0.00000
     10      11.2804      0.00000
     11      12.5713      0.00000
     12      13.3401      0.00000

 k-point   265 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.4241      2.00000
      2       0.7549      2.00000
      3       1.8312      2.00000
      4       3.3022      2.00000
      5       4.1613      2.00000
      6       5.6024      1.81210
      7       6.7520      0.00020
      8       9.2970      0.00000
      9      11.1597      0.00000
     10      11.6606      0.00000
     11      12.9755      0.00000
     12      13.9403      0.00000

 k-point   266 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.0136      2.00000
      2       0.1866      2.00000
      3       2.1502      2.00000
      4       3.3883      2.00000
      5       3.8294      2.00000
      6       5.2054      1.99609
      7       6.8696      0.00006
      8       8.9155      0.00000
      9      11.6344      0.00000
     10      11.8785      0.00000
     11      12.3928      0.00000
     12      13.7886      0.00000

 k-point   267 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.7476      2.00000
      2      -0.4696      2.00000
      3       5.2805      1.99174
      4       5.2854      1.99133
      5       6.6025      0.00087
      6       7.1152      0.00001
      7       7.2961      0.00000
      8       7.3007      0.00000
      9       8.3909      0.00000
     10      10.6831      0.00000
     11      11.7502      0.00000
     12      13.6110      0.00000

 k-point   268 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.6962      2.00000
      2      -0.4256      2.00000
      3       4.6021      1.99999
      4       5.3295      1.98655
      5       6.4770      0.00306
      6       7.0771      0.00001
      7       7.3450      0.00000
      8       7.6639      0.00000
      9       8.9073      0.00000
     10      10.8872      0.00000
     11      11.7795      0.00000
     12      12.5090      0.00000

 k-point   269 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.5426      2.00000
      2      -0.2955      2.00000
      3       3.5554      2.00000
      4       5.4761      1.94304
      5       5.5888      1.83400
      6       7.2352      0.00000
      7       7.4908      0.00000
      8       8.7478      0.00000
      9       9.6412      0.00000
     10      11.3759      0.00000
     11      11.4759      0.00000
     12      11.8974      0.00000

 k-point   270 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.2887      2.00000
      2      -0.0866      2.00000
      3       2.5431      2.00000
      4       4.6808      1.99998
      5       5.7193      1.49962
      6       7.4782      0.00000
      7       7.7307      0.00000
      8       9.4752      0.00000
      9      10.3403      0.00000
     10      10.6822      0.00000
     11      11.6383      0.00000
     12      12.3060      0.00000

 k-point   271 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.9394      2.00000
      2       0.1772      2.00000
      3       1.6310      2.00000
      4       3.8545      2.00000
      5       6.0561      0.18717
      6       7.8057      0.00000
      7       8.0552      0.00000
      8       9.4119      0.00000
      9       9.7858      0.00000
     10      11.1329      0.00000
     11      11.6289      0.00000
     12      11.9159      0.00000

 k-point   272 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.5100      2.00000
      2       0.3558      2.00000
      3       0.9540      2.00000
      4       3.1637      2.00000
      5       6.4761      0.00309
      6       8.1996      0.00000
      7       8.3829      0.00000
      8       8.6623      0.00000
      9       9.8515      0.00000
     10      10.6287      0.00000
     11      10.8264      0.00000
     12      12.4393      0.00000

 k-point   273 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.0778      2.00000
      2       0.0091      2.00000
      3       0.9339      2.00000
      4       2.7161      2.00000
      5       6.9162      0.00004
      6       7.9222      0.00000
      7       8.5776      0.00000
      8       8.8519      0.00000
      9       9.5980      0.00000
     10      10.2546      0.00000
     11      10.4777      0.00000
     12      12.7379      0.00000

 k-point   274 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.6963      2.00000
      2      -0.4256      2.00000
      3       4.5977      1.99999
      4       5.3343      1.98590
      5       6.4757      0.00310
      6       7.0791      0.00001
      7       7.3495      0.00000
      8       7.6600      0.00000
      9       8.9068      0.00000
     10      10.8859      0.00000
     11      11.7794      0.00000
     12      12.5090      0.00000

 k-point   275 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.6449      2.00000
      2      -0.3814      2.00000
      3       4.5601      1.99999
      4       4.7390      1.99996
      5       6.4735      0.00317
      6       6.8840      0.00005
      7       7.5722      0.00000
      8       8.0094      0.00000
      9       9.3413      0.00000
     10      11.0391      0.00000
     11      11.5841      0.00000
     12      12.0454      0.00000

 k-point   276 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.4913      2.00000
      2      -0.2507      2.00000
      3       3.5953      2.00000
      4       4.7798      1.99994
      5       5.6851      1.61674
      6       6.9398      0.00003
      7       7.9511      0.00000
      8       9.0323      0.00000
      9      10.0081      0.00000
     10      10.6723      0.00000
     11      11.5485      0.00000
     12      12.0516      0.00000

 k-point   277 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2373      2.00000
      2      -0.0405      2.00000
      3       2.5878      2.00000
      4       4.6256      1.99999
      5       5.1741      1.99714
      6       7.1596      0.00000
      7       8.2161      0.00000
      8       9.6671      0.00000
      9      10.0758      0.00000
     10      10.7870      0.00000
     11      11.8200      0.00000
     12      12.1018      0.00000

 k-point   278 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.8880      2.00000
      2       0.2255      2.00000
      3       1.6768      2.00000
      4       3.8699      2.00000
      5       5.4346      1.96203
      6       7.4491      0.00000
      7       8.5304      0.00000
      8       8.8054      0.00000
      9      10.4600      0.00000
     10      11.1246      0.00000
     11      11.7362      0.00000
     12      12.0228      0.00000

 k-point   279 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.4585      2.00000
      2       0.4079      2.00000
      3       0.9994      2.00000
      4       3.1877      2.00000
      5       5.8329      0.98089
      6       7.6759      0.00000
      7       8.1191      0.00000
      8       8.9323      0.00000
      9      10.3263      0.00000
     10      10.6475      0.00000
     11      11.3437      0.00000
     12      12.5514      0.00000

 k-point   280 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.0256      2.00000
      2       0.0592      2.00000
      3       0.9846      2.00000
      4       2.7397      2.00000
      5       6.2448      0.03082
      6       7.2952      0.00000
      7       8.1845      0.00000
      8       9.3239      0.00000
      9       9.8148      0.00000
     10      10.4109      0.00000
     11      11.2410      0.00000
     12      12.8557      0.00000

 k-point   281 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.5428      2.00000
      2      -0.2957      2.00000
      3       3.5517      2.00000
      4       5.4808      1.94039
      5       5.5862      1.83800
      6       7.2408      0.00000
      7       7.4952      0.00000
      8       8.7450      0.00000
      9       9.6396      0.00000
     10      11.3767      0.00000
     11      11.4734      0.00000
     12      11.8957      0.00000

 k-point   282 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.4914      2.00000
      2      -0.2508      2.00000
      3       3.5917      2.00000
      4       4.7837      1.99994
      5       5.6828      1.62369
      6       6.9434      0.00003
      7       7.9568      0.00000
      8       9.0273      0.00000
      9      10.0093      0.00000
     10      10.6727      0.00000
     11      11.5463      0.00000
     12      12.0502      0.00000

 k-point   283 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.3378      2.00000
      2      -0.1179      2.00000
      3       3.5954      2.00000
      4       3.8869      2.00000
      5       5.5231      1.91040
      6       6.3203      0.01460
      7       9.0857      0.00000
      8       9.4121      0.00000
      9       9.6651      0.00000
     10      10.8472      0.00000
     11      11.7437      0.00000
     12      11.7984      0.00000

 k-point   284 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0839      2.00000
      2       0.0961      2.00000
      3       2.7152      2.00000
      4       3.9542      2.00000
      5       4.8759      1.99986
      6       6.2882      0.02008
      7       8.6926      0.00000
      8       9.4873      0.00000
      9      10.6441      0.00000
     10      10.9816      0.00000
     11      11.5283      0.00000
     12      12.2552      0.00000

 k-point   285 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.7344      2.00000
      2       0.3692      2.00000
      3       1.8122      2.00000
      4       3.8477      2.00000
      5       4.5101      2.00000
      6       6.4799      0.00298
      7       7.8258      0.00000
      8       9.7630      0.00000
      9      10.2893      0.00000
     10      11.6967      0.00000
     11      12.1069      0.00000
     12      12.7310      0.00000

 k-point   286 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.3042      2.00000
      2       0.5639      2.00000
      3       1.1339      2.00000
      4       3.2505      2.00000
      5       4.8145      1.99992
      6       6.6058      0.00085
      7       7.1930      0.00000
      8       9.5043      0.00000
      9      10.3138      0.00000
     10      11.9304      0.00000
     11      12.4394      0.00000
     12      12.8124      0.00000

 k-point   287 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.8692      2.00000
      2       0.2087      2.00000
      3       1.1364      2.00000
      4       2.8066      2.00000
      5       5.1900      1.99665
      6       6.2845      0.02082
      7       7.1468      0.00000
      8       9.1332      0.00000
      9      10.6810      0.00000
     10      11.6273      0.00000
     11      12.5199      0.00000
     12      13.0263      0.00000

 k-point   288 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.2890      2.00000
      2      -0.0871      2.00000
      3       2.5401      2.00000
      4       4.6785      1.99998
      5       5.7238      1.48265
      6       7.4841      0.00000
      7       7.7349      0.00000
      8       9.4782      0.00000
      9      10.3419      0.00000
     10      10.6756      0.00000
     11      11.6396      0.00000
     12      12.3055      0.00000

 k-point   289 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.2377      2.00000
      2      -0.0409      2.00000
      3       2.5848      2.00000
      4       4.6246      1.99999
      5       5.1770      1.99706
      6       7.1632      0.00000
      7       8.2222      0.00000
      8       9.6687      0.00000
      9      10.0769      0.00000
     10      10.7825      0.00000
     11      11.8204      0.00000
     12      12.1016      0.00000

 k-point   290 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0841      2.00000
      2       0.0959      2.00000
      3       2.7124      2.00000
      4       3.9570      2.00000
      5       4.8746      1.99986
      6       6.2906      0.01961
      7       8.6934      0.00000
      8       9.4940      0.00000
      9      10.6376      0.00000
     10      10.9834      0.00000
     11      11.5303      0.00000
     12      12.2537      0.00000

 k-point   291 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.8300      2.00000
      2       0.3173      2.00000
      3       2.7819      2.00000
      4       3.1387      2.00000
      5       4.7234      1.99997
      6       5.6475      1.71997
      7       7.7379      0.00000
      8      10.1039      0.00000
      9      10.8230      0.00000
     10      11.1097      0.00000
     11      12.5050      0.00000
     12      12.5164      0.00000

 k-point   292 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.4802      2.00000
      2       0.6036      2.00000
      3       2.0253      2.00000
      4       3.2645      2.00000
      5       4.1952      2.00000
      6       5.5508      1.88345
      7       6.8861      0.00005
      8       9.3804      0.00000
      9      11.2961      0.00000
     10      12.2705      0.00000
     11      12.9481      0.00000
     12      13.2481      0.00000

 k-point   293 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.0488      2.00000
      2       0.8226      2.00000
      3       1.3501      2.00000
      4       3.2721      2.00000
      5       3.9033      2.00000
      6       5.5704      1.85992
      7       6.2677      0.02457
      8       8.7930      0.00000
      9      11.7111      0.00000
     10      12.8957      0.00000
     11      13.3490      0.00000
     12      13.8394      0.00000

 k-point   294 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.6097      2.00000
      2       0.4550      2.00000
      3       1.3871      2.00000
      4       2.9011      2.00000
      5       4.1658      2.00000
      6       5.2978      1.99019
      7       6.1342      0.09034
      8       8.4458      0.00000
      9      12.1336      0.00000
     10      12.9526      0.00000
     11      13.2943      0.00000
     12      13.9035      0.00000

 k-point   295 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.9401      2.00000
      2       0.1764      2.00000
      3       1.6287      2.00000
      4       3.8530      2.00000
      5       6.0603      0.18019
      6       7.8114      0.00000
      7       8.0591      0.00000
      8       9.4141      0.00000
      9       9.7904      0.00000
     10      11.1363      0.00000
     11      11.6310      0.00000
     12      11.9104      0.00000

 k-point   296 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.8886      2.00000
      2       0.2247      2.00000
      3       1.6746      2.00000
      4       3.8684      2.00000
      5       5.4383      1.96062
      6       7.4525      0.00000
      7       8.5364      0.00000
      8       8.8075      0.00000
      9      10.4650      0.00000
     10      11.1263      0.00000
     11      11.7382      0.00000
     12      12.0180      0.00000

 k-point   297 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.7349      2.00000
      2       0.3685      2.00000
      3       1.8100      2.00000
      4       3.8473      2.00000
      5       4.5123      2.00000
      6       6.4824      0.00290
      7       7.8271      0.00000
      8       9.7691      0.00000
      9      10.2914      0.00000
     10      11.6996      0.00000
     11      12.1046      0.00000
     12      12.7285      0.00000

 k-point   298 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.4805      2.00000
      2       0.6032      2.00000
      3       2.0234      2.00000
      4       3.2664      2.00000
      5       4.1946      2.00000
      6       5.5523      1.88174
      7       6.8868      0.00005
      8       9.3811      0.00000
      9      11.3033      0.00000
     10      12.2654      0.00000
     11      12.9498      0.00000
     12      13.2477      0.00000

 k-point   299 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.1298      2.00000
      2       0.9132      2.00000
      3       2.1602      2.00000
      4       2.5616      2.00000
      5       4.1150      2.00000
      6       4.8512      1.99989
      7       6.0542      0.19045
      8       8.6881      0.00000
      9      12.5723      0.00000
     10      12.7087      0.00000
     11      13.5880      0.00000
     12      14.0941      0.00000

 k-point   300 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.6960      2.00000
      2       1.1805      2.00000
      3       1.6230      2.00000
      4       2.7479      2.00000
      5       3.6543      2.00000
      6       4.6180      1.99999
      7       5.4348      1.96194
      8       8.1507      0.00000
      9      13.0125      0.00000
     10      13.4612      0.00000
     11      14.4727      0.00000
     12      14.7226      0.00000

 k-point   301 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.2497      2.00000
      2       0.7912      2.00000
      3       1.7306      2.00000
      4       2.9414      2.00000
      5       3.2814      2.00000
      6       4.4118      2.00000
      7       5.2041      1.99615
      8       7.8470      0.00000
      9      13.4535      0.00000
     10      13.8029      0.00000
     11      14.1860      0.00000
     12      15.1890      0.00000

 k-point   302 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.4521      2.00000
      2      -0.9431      2.00000
      3       5.6397      1.73821
      4       5.6446      1.72696
      5       6.7553      0.00019
      6       6.7598      0.00018
      7       7.1101      0.00001
      8       7.1905      0.00000
      9       7.7198      0.00000
     10      10.6565      0.00000
     11      13.1571      0.00000
     12      13.8307      0.00000

 k-point   303 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -0.9002      2.00000
      3       4.9395      1.99973
      4       5.6885      1.60610
      5       6.0764      0.15555
      6       6.8045      0.00012
      7       7.2735      0.00000
      8       7.8836      0.00000
      9       8.3089      0.00000
     10      10.8510      0.00000
     11      12.7888      0.00000
     12      13.1656      0.00000

 k-point   304 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.2411      2.00000
      2      -0.7731      2.00000
      3       3.8631      2.00000
      4       5.1362      1.99804
      5       5.8346      0.97232
      6       6.9513      0.00003
      7       7.4397      0.00000
      8       8.7234      0.00000
      9       9.4449      0.00000
     10      11.4685      0.00000
     11      11.6647      0.00000
     12      12.9633      0.00000

 k-point   305 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9786      2.00000
      2      -0.5678      2.00000
      3       2.8188      2.00000
      4       4.2377      2.00000
      5       6.0772      0.15426
      6       7.1930      0.00000
      7       7.6975      0.00000
      8       9.1762      0.00000
      9      10.6342      0.00000
     10      10.8796      0.00000
     11      12.0897      0.00000
     12      12.1415      0.00000

 k-point   306 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6145      2.00000
      2      -0.2994      2.00000
      3       1.8575      2.00000
      4       3.4349      2.00000
      5       6.4143      0.00573
      6       7.5220      0.00000
      7       8.0514      0.00000
      8       9.4537      0.00000
      9       9.7050      0.00000
     10      11.1476      0.00000
     11      11.3125      0.00000
     12      12.3933      0.00000

 k-point   307 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.1568      2.00000
      2      -0.0072      2.00000
      3       1.0014      2.00000
      4       2.7784      2.00000
      5       6.8376      0.00008
      6       7.9138      0.00000
      7       8.4941      0.00000
      8       8.8873      0.00000
      9       9.6343      0.00000
     10      10.3450      0.00000
     11      10.5328      0.00000
     12      13.0361      0.00000

 k-point   308 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.6548      2.00000
      2       0.1597      2.00000
      3       0.3575      2.00000
      4       2.3702      2.00000
      5       7.2945      0.00000
      6       8.1980      0.00000
      7       8.3056      0.00000
      8       8.9804      0.00000
      9       9.6800      0.00000
     10       9.7825      0.00000
     11       9.9249      0.00000
     12      12.9013      0.00000

 k-point   309 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -0.9002      2.00000
      3       4.9349      1.99974
      4       5.6933      1.59063
      5       6.0730      0.16039
      6       6.8090      0.00011
      7       7.2798      0.00000
      8       7.8794      0.00000
      9       8.3064      0.00000
     10      10.8499      0.00000
     11      12.7889      0.00000
     12      13.1657      0.00000

 k-point   310 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.3465      2.00000
      2      -0.8571      2.00000
      3       4.9680      1.99964
      4       4.9986      1.99951
      5       5.9001      0.65878
      6       6.4966      0.00252
      7       8.0242      0.00000
      8       8.0645      0.00000
      9       8.7123      0.00000
     10      10.9998      0.00000
     11      12.0341      0.00000
     12      13.1912      0.00000

 k-point   311 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.1884      2.00000
      2      -0.7294      2.00000
      3       3.9115      2.00000
      4       5.0244      1.99936
      5       5.2381      1.99459
      6       6.5019      0.00239
      7       8.2223      0.00000
      8       9.1907      0.00000
      9       9.5612      0.00000
     10      10.9640      0.00000
     11      11.5053      0.00000
     12      12.6237      0.00000

 k-point   312 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.9260      2.00000
      2      -0.5230      2.00000
      3       2.8687      2.00000
      4       4.2443      2.00000
      5       5.3990      1.97323
      6       6.6984      0.00034
      7       8.4776      0.00000
      8       9.7270      0.00000
      9       9.9827      0.00000
     10      10.9253      0.00000
     11      11.5176      0.00000
     12      12.6618      0.00000

 k-point   313 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.5620      2.00000
      2      -0.2528      2.00000
      3       1.9081      2.00000
      4       3.4554      2.00000
      5       5.7364      1.43261
      6       6.9805      0.00002
      7       8.8195      0.00000
      8       9.0422      0.00000
      9      10.0072      0.00000
     10      10.7949      0.00000
     11      12.0521      0.00000
     12      12.4490      0.00000

 k-point   314 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.1044      2.00000
      2       0.0422      2.00000
      3       1.0524      2.00000
      4       2.8021      2.00000
      5       6.1643      0.06765
      6       7.3013      0.00000
      7       8.2247      0.00000
      8       9.2490      0.00000
      9       9.8485      0.00000
     10      10.4874      0.00000
     11      11.2865      0.00000
     12      13.4676      0.00000

 k-point   315 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.6025      2.00000
      2       0.2120      2.00000
      3       0.4088      2.00000
      4       2.3930      2.00000
      5       6.6279      0.00068
      6       7.4884      0.00000
      7       7.6402      0.00000
      8       9.4365      0.00000
      9       9.7570      0.00000
     10      10.4763      0.00000
     11      10.7031      0.00000
     12      13.3016      0.00000

 k-point   316 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -2.2413      2.00000
      2      -0.7733      2.00000
      3       3.8591      2.00000
      4       5.1335      1.99810
      5       5.8393      0.94882
      6       6.9557      0.00003
      7       7.4461      0.00000
      8       8.7247      0.00000
      9       9.4379      0.00000
     10      11.4645      0.00000
     11      11.6655      0.00000
     12      12.9488      0.00000

 k-point   317 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -2.1885      2.00000
      2      -0.7295      2.00000
      3       3.9077      2.00000
      4       5.0251      1.99936
      5       5.2395      1.99451
      6       6.5051      0.00232
      7       8.2290      0.00000
      8       9.1897      0.00000
      9       9.5568      0.00000
     10      10.9645      0.00000
     11      11.5024      0.00000
     12      12.6240      0.00000

 k-point   318 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -2.0306      2.00000
      2      -0.5999      2.00000
      3       4.0212      2.00000
      4       4.0837      2.00000
      5       4.9188      1.99978
      6       5.9658      0.40596
      7       9.5230      0.00000
      8       9.5665      0.00000
      9       9.9379      0.00000
     10      10.2590      0.00000
     11      11.2809      0.00000
     12      12.3202      0.00000

 k-point   319 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7685      2.00000
      2      -0.3901      2.00000
      3       3.0169      2.00000
      4       4.1541      2.00000
      5       4.4249      2.00000
      6       5.8999      0.65974
      7       8.9267      0.00000
      8       9.8011      0.00000
      9      10.5105      0.00000
     10      10.8683      0.00000
     11      11.1886      0.00000
     12      12.9279      0.00000

 k-point   320 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4049      2.00000
      2      -0.1143      2.00000
      3       2.0592      2.00000
      4       3.5049      2.00000
      5       4.6815      1.99998
      6       6.0719      0.16206
      7       8.0065      0.00000
      8       9.7711      0.00000
      9      10.1857      0.00000
     10      11.3883      0.00000
     11      12.5951      0.00000
     12      13.3010      0.00000

 k-point   321 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.9477      2.00000
      2       0.1892      2.00000
      3       1.2048      2.00000
      4       2.8691      2.00000
      5       5.1080      1.99852
      6       6.3027      0.01738
      7       7.1896      0.00000
      8       9.1917      0.00000
      9      10.5951      0.00000
     10      11.6898      0.00000
     11      12.5623      0.00000
     12      13.9151      0.00000

 k-point   322 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.4459      2.00000
      2       0.3687      2.00000
      3       0.5620      2.00000
      4       2.4584      2.00000
      5       5.5740      1.85528
      6       6.4149      0.00570
      7       6.5961      0.00093
      8       8.8307      0.00000
      9      11.0619      0.00000
     10      11.7954      0.00000
     11      11.9988      0.00000
     12      14.2288      0.00000

 k-point   323 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.9790      2.00000
      2      -0.5683      2.00000
      3       2.8156      2.00000
      4       4.2356      2.00000
      5       6.0818      0.14796
      6       7.1972      0.00000
      7       7.7038      0.00000
      8       9.1798      0.00000
      9      10.6358      0.00000
     10      10.8712      0.00000
     11      12.0911      0.00000
     12      12.1441      0.00000

 k-point   324 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.9263      2.00000
      2      -0.5234      2.00000
      3       2.8655      2.00000
      4       4.2424      2.00000
      5       5.4032      1.97211
      6       6.7018      0.00032
      7       8.4842      0.00000
      8       9.7309      0.00000
      9       9.9841      0.00000
     10      10.9172      0.00000
     11      11.5176      0.00000
     12      12.6570      0.00000

 k-point   325 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.7687      2.00000
      2      -0.3903      2.00000
      3       3.0138      2.00000
      4       4.1546      2.00000
      5       4.4266      2.00000
      6       5.9020      0.65061
      7       8.9273      0.00000
      8       9.8083      0.00000
      9      10.5129      0.00000
     10      10.8658      0.00000
     11      11.1841      0.00000
     12      12.9239      0.00000

 k-point   326 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.5071      2.00000
      2      -0.1743      2.00000
      3       3.2121      2.00000
      4       3.3051      2.00000
      5       4.1124      2.00000
      6       5.3336      1.98600
      7       7.9233      0.00000
      8       9.7631      0.00000
      9      11.2326      0.00000
     10      11.3310      0.00000
     11      11.9910      0.00000
     12      13.3952      0.00000

 k-point   327 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.1441      2.00000
      2       0.1115      2.00000
      3       2.3080      2.00000
      4       3.4597      2.00000
      5       3.7418      2.00000
      6       5.2220      1.99539
      7       6.9981      0.00002
      8       9.0544      0.00000
      9      11.6234      0.00000
     10      12.6121      0.00000
     11      12.8737      0.00000
     12      14.2007      0.00000

 k-point   328 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.6876      2.00000
      2       0.4307      2.00000
      3       1.4570      2.00000
      4       2.9624      2.00000
      5       4.0824      2.00000
      6       5.3277      1.98679
      7       6.1778      0.05936
      8       8.4998      0.00000
      9      12.0492      0.00000
     10      13.0668      0.00000
     11      13.9433      0.00000
     12      14.1592      0.00000

 k-point   329 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.1859      2.00000
      2       0.6288      2.00000
      3       0.8154      2.00000
      4       2.5574      2.00000
      5       4.5435      1.99999
      6       5.3765      1.97856
      7       5.5773      1.85079
      8       8.1817      0.00000
      9      12.5183      0.00000
     10      13.2235      0.00000
     11      13.4191      0.00000
     12      14.7035      0.00000

 k-point   330 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.6151      2.00000
      2      -0.3003      2.00000
      3       1.8549      2.00000
      4       3.4335      2.00000
      5       6.4185      0.00549
      6       7.5259      0.00000
      7       8.0574      0.00000
      8       9.4581      0.00000
      9       9.7072      0.00000
     10      11.1498      0.00000
     11      11.3164      0.00000
     12      12.3842      0.00000

 k-point   331 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.5626      2.00000
      2      -0.2536      2.00000
      3       1.9055      2.00000
      4       3.4541      2.00000
      5       5.7404      1.41645
      6       6.9838      0.00002
      7       8.8257      0.00000
      8       9.0443      0.00000
      9      10.0120      0.00000
     10      10.7966      0.00000
     11      12.0562      0.00000
     12      12.4400      0.00000

 k-point   332 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.4053      2.00000
      2      -0.1150      2.00000
      3       2.0567      2.00000
      4       3.5038      2.00000
      5       4.6847      1.99998
      6       6.0742      0.15860
      7       8.0078      0.00000
      8       9.7732      0.00000
      9      10.1924      0.00000
     10      11.3929      0.00000
     11      12.5863      0.00000
     12      13.3055      0.00000

 k-point   333 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1444      2.00000
      2       0.1111      2.00000
      3       2.3057      2.00000
      4       3.4603      2.00000
      5       3.7432      2.00000
      6       5.2233      1.99533
      7       6.9988      0.00002
      8       9.0551      0.00000
      9      11.6313      0.00000
     10      12.6141      0.00000
     11      12.8676      0.00000
     12      14.1986      0.00000

 k-point   334 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.7822      2.00000
      2       0.4131      2.00000
      3       2.5907      2.00000
      4       2.7097      2.00000
      5       3.5024      2.00000
      6       4.6338      1.99999
      7       6.0697      0.16542
      8       8.3964      0.00000
      9      13.0797      0.00000
     10      13.1953      0.00000
     11      13.8185      0.00000
     12      14.6165      0.00000

 k-point   335 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.3265      2.00000
      2       0.7581      2.00000
      3       1.8040      2.00000
      4       2.9625      2.00000
      5       3.2305      2.00000
      6       4.4601      2.00000
      7       5.2473      1.99407
      8       7.8953      0.00000
      9      13.5541      0.00000
     10      14.4266      0.00000
     11      14.4898      0.00000
     12      15.1790      0.00000

 k-point   336 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.1757      2.00000
      2       0.9898      2.00000
      3       1.1642      2.00000
      4       2.6709      2.00000
      5       3.5950      2.00000
      6       4.4210      2.00000
      7       4.6408      1.99999
      8       7.6178      0.00000
      9      14.0266      0.00000
     10      14.6616      0.00000
     11      14.8622      0.00000
     12      15.0486      0.00000

 k-point   337 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -1.1578      2.00000
      2      -0.0085      2.00000
      3       0.9994      2.00000
      4       2.7778      2.00000
      5       6.8414      0.00008
      6       7.9172      0.00000
      7       8.4998      0.00000
      8       8.8902      0.00000
      9       9.6389      0.00000
     10      10.3479      0.00000
     11      10.5373      0.00000
     12      13.0393      0.00000

 k-point   338 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -1.1054      2.00000
      2       0.0408      2.00000
      3       1.0504      2.00000
      4       2.8015      2.00000
      5       6.1678      0.06536
      6       7.3042      0.00000
      7       8.2273      0.00000
      8       9.2550      0.00000
      9       9.8519      0.00000
     10      10.4916      0.00000
     11      11.2913      0.00000
     12      13.4712      0.00000

 k-point   339 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.9486      2.00000
      2       0.1880      2.00000
      3       1.2030      2.00000
      4       2.8686      2.00000
      5       5.1109      1.99848
      6       6.3049      0.01701
      7       7.1915      0.00000
      8       9.1938      0.00000
      9      10.6018      0.00000
     10      11.6953      0.00000
     11      12.5678      0.00000
     12      13.9087      0.00000

 k-point   340 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.6882      2.00000
      2       0.4298      2.00000
      3       1.4554      2.00000
      4       2.9621      2.00000
      5       4.0847      2.00000
      6       5.3291      1.98660
      7       6.1790      0.05864
      8       8.5010      0.00000
      9      12.0567      0.00000
     10      13.0728      0.00000
     11      13.9489      0.00000
     12      14.1532      0.00000

 k-point   341 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.3268      2.00000
      2       0.7575      2.00000
      3       1.8026      2.00000
      4       2.9631      2.00000
      5       3.2315      2.00000
      6       4.4607      2.00000
      7       5.2479      1.99403
      8       7.8959      0.00000
      9      13.5622      0.00000
     10      14.4282      0.00000
     11      14.4876      0.00000
     12      15.1781      0.00000

 k-point   342 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.1284      2.00000
      2       1.1456      2.00000
      3       2.1714      2.00000
      4       2.3052      2.00000
      5       3.0942      2.00000
      6       3.8136      2.00000
      7       4.4265      2.00000
      8       7.4451      0.00000
      9      14.8186      0.00000
     10      14.9848      0.00000
     11      15.5095      0.00000
     12      15.7780      0.00000

 k-point   343 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.6327      2.00000
      2       1.4442      2.00000
      3       1.5929      2.00000
      4       2.6686      2.00000
      5       2.8540      2.00000
      6       3.5668      2.00000
      7       3.8135      2.00000
      8       7.2011      0.00000
      9      15.2741      0.00000
     10      15.6655      0.00000
     11      15.9083      0.00000
     12      16.1408      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.182   5.261  -0.000  -0.000   0.000
  5.261  22.403  -0.000  -0.000   0.000
 -0.000  -0.000  -0.304  -0.000   0.000
 -0.000  -0.000  -0.000  -0.304  -0.000
  0.000   0.000   0.000  -0.000  -0.304
 total augmentation occupancy for first ion, spin component:           1
  1.012  -0.020   0.000   0.000   0.000
 -0.020   0.000   0.000   0.000   0.000
  0.000   0.000   0.087   0.000   0.000
  0.000   0.000   0.000   0.082   0.000
  0.000   0.000   0.000   0.000   0.087


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1811: real time    0.1811
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3406: real time    0.3406
    STRESS:  cpu time    4.1430: real time    4.1458
    FORCOR:  cpu time    0.0473: real time    0.0473
    FORHAR:  cpu time    0.0123: real time    0.0123
    MIXING:  cpu time    0.0061: real time    0.0061
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.10784    -0.10784    -0.10784
  Ewald     -70.62451   -70.63167   -72.27634    -0.00000     0.00000    -0.00000
  Hartree     1.36039     1.35518     0.81106    -0.00000    -0.00000    -0.00000
  E(xc)     -27.03468   -27.03479   -26.99445    -0.00000     0.00000     0.00000
  Local      -5.30603    -5.29463    -3.34989     0.00000    -0.00000    -0.00000
  n-local    58.34515    58.34534    57.95288     0.24108     0.18431     0.18429
  augment    -3.13537    -3.13529    -3.10166     0.00000     0.00000     0.00000
  Kinetic    45.90292    45.89409    44.82533    -3.98318    -3.27111    -3.27520
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.59997    -0.60962    -2.24092    -0.00000     0.00000     0.00000
  in kB     -14.02502   -14.25054   -52.38439    -0.00000     0.00000     0.00000
  external pressure =      -26.89 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       68.54
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.228173747     0.000000000  0.000000000  0.236508729

  length of vectors
     4.025488200  4.026832140  4.228173747     0.248417074  0.248334166  0.236508729


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.226E-15 -.214E-15 -.229E-15   0.199E-17 -.147E-15 -.146E-15   0.225E-26 -.100E-25 -.687E-26   -.177E-15 -.115E-16 -.904E-17
   -.382E-14 -.303E-13 0.204E-13   0.497E-16 0.224E-15 -.481E-15   -.252E-25 -.712E-24 -.217E-25   0.143E-14 0.702E-16 -.372E-16
   -.334E-14 -.176E-15 -.104E-12   -.717E-15 -.437E-16 0.164E-15   -.865E-26 -.308E-24 0.224E-24   0.134E-14 -.430E-16 0.751E-16
   0.432E-15 -.255E-14 -.412E-14   0.716E-15 -.193E-15 0.567E-15   0.642E-26 -.401E-24 -.113E-24   -.143E-14 0.106E-15 0.515E-16
 -----------------------------------------------------------------------------------------------
   -.650E-14 -.332E-13 -.876E-13   0.510E-16 -.160E-15 0.102E-15   -.251E-25 -.143E-23 0.821E-25   0.116E-14 0.121E-15 0.804E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000      0.000000
      2.01274      2.01342      0.00000         0.000000      0.000000      0.000000
      2.01274      0.00000      2.11409        -0.000000     -0.000000     -0.000000
      0.00000      2.01342      2.11409         0.000000     -0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.49621612 eV

  energy  without entropy=      -13.45320357  energy(sigma->0) =      -13.47470985
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.1290123E-01-0.129E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.7246431E+01 0.725E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0597: real time    0.0597


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   3/ 13
  Displacement:        1/  2
  Total:               5/ 26
  LATTYP: Found a simple orthorhombic cell.
 ALAT       =     3.8254905333
 B/A-ratio  =     1.0522802671
 C/A-ratio  =     1.0526315789
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   0.0000000000,   3.8254905333)
 A2 = (  -4.0254882003,   0.0000000000,   0.0000000000)
 A3 = (   0.0000000000,  -4.0268321403,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry D_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The dynamic configuration has the point symmetry D_2h.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    8    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.307692  0.307692  0.000000      4.000000
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  0.000000  0.384615  0.000000      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.230769  0.461538  0.000000      4.000000
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  0.000000  0.000000  0.076923      2.000000
  0.076923  0.000000  0.076923      4.000000
  0.153846  0.000000  0.076923      4.000000
  0.230769  0.000000  0.076923      4.000000
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  0.384615  0.000000  0.076923      4.000000
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  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.000000  0.307692  0.076923      4.000000
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  0.153846  0.307692  0.076923      8.000000
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  0.307692  0.307692  0.076923      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.000000  0.384615  0.076923      4.000000
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  0.153846  0.384615  0.076923      8.000000
  0.230769  0.384615  0.076923      8.000000
  0.307692  0.384615  0.076923      8.000000
  0.384615  0.384615  0.076923      8.000000
  0.461538  0.384615  0.076923      8.000000
  0.000000  0.461538  0.076923      4.000000
  0.076923  0.461538  0.076923      8.000000
  0.153846  0.461538  0.076923      8.000000
  0.230769  0.461538  0.076923      8.000000
  0.307692  0.461538  0.076923      8.000000
  0.384615  0.461538  0.076923      8.000000
  0.461538  0.461538  0.076923      8.000000
  0.000000  0.000000  0.153846      2.000000
  0.076923  0.000000  0.153846      4.000000
  0.153846  0.000000  0.153846      4.000000
  0.230769  0.000000  0.153846      4.000000
  0.307692  0.000000  0.153846      4.000000
  0.384615  0.000000  0.153846      4.000000
  0.461538  0.000000  0.153846      4.000000
  0.000000  0.076923  0.153846      4.000000
  0.076923  0.076923  0.153846      8.000000
  0.153846  0.076923  0.153846      8.000000
  0.230769  0.076923  0.153846      8.000000
  0.307692  0.076923  0.153846      8.000000
  0.384615  0.076923  0.153846      8.000000
  0.461538  0.076923  0.153846      8.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      4.000000
  0.076923  0.230769  0.153846      8.000000
  0.153846  0.230769  0.153846      8.000000
  0.230769  0.230769  0.153846      8.000000
  0.307692  0.230769  0.153846      8.000000
  0.384615  0.230769  0.153846      8.000000
  0.461538  0.230769  0.153846      8.000000
  0.000000  0.307692  0.153846      4.000000
  0.076923  0.307692  0.153846      8.000000
  0.153846  0.307692  0.153846      8.000000
  0.230769  0.307692  0.153846      8.000000
  0.307692  0.307692  0.153846      8.000000
  0.384615  0.307692  0.153846      8.000000
  0.461538  0.307692  0.153846      8.000000
  0.000000  0.384615  0.153846      4.000000
  0.076923  0.384615  0.153846      8.000000
  0.153846  0.384615  0.153846      8.000000
  0.230769  0.384615  0.153846      8.000000
  0.307692  0.384615  0.153846      8.000000
  0.384615  0.384615  0.153846      8.000000
  0.461538  0.384615  0.153846      8.000000
  0.000000  0.461538  0.153846      4.000000
  0.076923  0.461538  0.153846      8.000000
  0.153846  0.461538  0.153846      8.000000
  0.230769  0.461538  0.153846      8.000000
  0.307692  0.461538  0.153846      8.000000
  0.384615  0.461538  0.153846      8.000000
  0.461538  0.461538  0.153846      8.000000
  0.000000  0.000000  0.230769      2.000000
  0.076923  0.000000  0.230769      4.000000
  0.153846  0.000000  0.230769      4.000000
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  0.000000  0.461538  0.230769      4.000000
  0.076923  0.461538  0.230769      8.000000
  0.153846  0.461538  0.230769      8.000000
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  0.307692  0.461538  0.230769      8.000000
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  0.000000  0.000000  0.307692      2.000000
  0.076923  0.000000  0.307692      4.000000
  0.153846  0.000000  0.307692      4.000000
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  0.153846  0.076923  0.307692      8.000000
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  0.384615  0.076923  0.307692      8.000000
  0.461538  0.076923  0.307692      8.000000
  0.000000  0.153846  0.307692      4.000000
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  0.230769  0.153846  0.307692      8.000000
  0.307692  0.153846  0.307692      8.000000
  0.384615  0.153846  0.307692      8.000000
  0.461538  0.153846  0.307692      8.000000
  0.000000  0.230769  0.307692      4.000000
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  0.384615  0.230769  0.307692      8.000000
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  0.000000  0.307692  0.307692      4.000000
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  0.384615  0.307692  0.307692      8.000000
  0.461538  0.307692  0.307692      8.000000
  0.000000  0.384615  0.307692      4.000000
  0.076923  0.384615  0.307692      8.000000
  0.153846  0.384615  0.307692      8.000000
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  0.461538  0.384615  0.307692      8.000000
  0.000000  0.461538  0.307692      4.000000
  0.076923  0.461538  0.307692      8.000000
  0.153846  0.461538  0.307692      8.000000
  0.230769  0.461538  0.307692      8.000000
  0.307692  0.461538  0.307692      8.000000
  0.384615  0.461538  0.307692      8.000000
  0.461538  0.461538  0.307692      8.000000
  0.000000  0.000000  0.384615      2.000000
  0.076923  0.000000  0.384615      4.000000
  0.153846  0.000000  0.384615      4.000000
  0.230769  0.000000  0.384615      4.000000
  0.307692  0.000000  0.384615      4.000000
  0.384615  0.000000  0.384615      4.000000
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  0.000000  0.076923  0.384615      4.000000
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  0.153846  0.076923  0.384615      8.000000
  0.230769  0.076923  0.384615      8.000000
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  0.384615  0.076923  0.384615      8.000000
  0.461538  0.076923  0.384615      8.000000
  0.000000  0.153846  0.384615      4.000000
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  0.153846  0.153846  0.384615      8.000000
  0.230769  0.153846  0.384615      8.000000
  0.307692  0.153846  0.384615      8.000000
  0.384615  0.153846  0.384615      8.000000
  0.461538  0.153846  0.384615      8.000000
  0.000000  0.230769  0.384615      4.000000
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  0.461538  0.307692  0.384615      8.000000
  0.000000  0.384615  0.384615      4.000000
  0.076923  0.384615  0.384615      8.000000
  0.153846  0.384615  0.384615      8.000000
  0.230769  0.384615  0.384615      8.000000
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  0.000000  0.461538  0.384615      4.000000
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  0.384615  0.461538  0.384615      8.000000
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  0.000000  0.000000  0.461538      2.000000
  0.076923  0.000000  0.461538      4.000000
  0.153846  0.000000  0.461538      4.000000
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  0.230769  0.076923  0.461538      8.000000
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  0.076436  0.114616  0.120648      8.000000
  0.095545  0.114616  0.120648      8.000000
  0.114654  0.114616  0.120648      8.000000
 
    WAVPRE:  cpu time    0.4614: real time    1.5038
    FEWALD:  cpu time    0.0037: real time    0.0036
    GENKIN:  cpu time    0.1028: real time    0.1028
    ORTHCH:  cpu time    2.2219: real time    2.2221
     LOOP+:  cpu time  157.8515: real time  158.9846


--------------------------------------- Iteration      7(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0588: real time    0.0597
    SETDIJ:  cpu time    0.0049: real time    0.0048
     EDDAV:  cpu time   24.8931: real time   24.9075
       DOS:  cpu time    0.0175: real time    0.0175
    CHARGE:  cpu time    0.1678: real time    0.1678
    MIXING:  cpu time    0.0028: real time    0.0028
    --------------------------------------------
      LOOP:  cpu time   25.1450: real time   25.1604

 eigenvalue-minimisations  : 10344
 total energy-change (2. order) :-0.3647368E-01  (-0.3475914E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.0989977 magnetization 

 Broyden mixing:
  rms(total) = 0.12970E+00    rms(broyden)= 0.12970E+00
  rms(prec ) = 0.31377E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.62132898
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.58740455
  PAW double counting   =       396.88863804     -295.51542800
  entropy T*S    EENTRO =        -0.04038717
  eigenvalues    EBANDS =        26.32575810
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53269860 eV

  energy without entropy =      -13.49231143  energy(sigma->0) =      -13.51250501


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0529: real time    0.0532
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   24.7075: real time   24.7155
       DOS:  cpu time    0.0151: real time    0.0151
    CHARGE:  cpu time    0.1707: real time    0.1707
    MIXING:  cpu time    0.0046: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time   24.9546: real time   24.9628

 eigenvalue-minimisations  :  9600
 total energy-change (2. order) : 0.3460321E-01  (-0.1450484E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1006853 magnetization 

 Broyden mixing:
  rms(total) = 0.56733E-01    rms(broyden)= 0.56733E-01
  rms(prec ) = 0.15933E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1356
  1.1356

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.45838455
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.55982093
  PAW double counting   =       448.68638037     -347.33342157
  entropy T*S    EENTRO =        -0.04077165
  eigenvalues    EBANDS =        26.19046898
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49809539 eV

  energy without entropy =      -13.45732374  energy(sigma->0) =      -13.47770957


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0512: real time    0.0515
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   24.9080: real time   24.9231
       DOS:  cpu time    0.0159: real time    0.0159
    CHARGE:  cpu time    0.1686: real time    0.1686
    MIXING:  cpu time    0.0057: real time    0.0057
    --------------------------------------------
      LOOP:  cpu time   25.1531: real time   25.1685

 eigenvalue-minimisations  :  9772
 total energy-change (2. order) : 0.1402215E-01  (-0.3787540E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1021829 magnetization 

 Broyden mixing:
  rms(total) = 0.22873E-01    rms(broyden)= 0.22873E-01
  rms(prec ) = 0.43104E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6371
  1.2256  2.0486

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.31438041
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.52474634
  PAW double counting   =       477.58601090     -376.25460334
  entropy T*S    EENTRO =        -0.04122268
  eigenvalues    EBANDS =        26.04741467
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48407325 eV

  energy without entropy =      -13.44285057  energy(sigma->0) =      -13.46346191


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0513: real time    0.0517
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   24.6755: real time   24.6897
       DOS:  cpu time    0.0150: real time    0.0150
    CHARGE:  cpu time    0.1708: real time    0.1708
    MIXING:  cpu time    0.0059: real time    0.0059
    --------------------------------------------
      LOOP:  cpu time   24.9219: real time   24.9364

 eigenvalue-minimisations  :  9828
 total energy-change (2. order) : 0.6295560E-03  (-0.2368109E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1028123 magnetization 

 Broyden mixing:
  rms(total) = 0.12298E-01    rms(broyden)= 0.12298E-01
  rms(prec ) = 0.19135E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2022
  1.9647  1.2782  0.3638

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.29101325
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.50966444
  PAW double counting   =       478.01041214     -376.68740143
  entropy T*S    EENTRO =        -0.04121937
  eigenvalues    EBANDS =        26.01798870
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48344369 eV

  energy without entropy =      -13.44222432  energy(sigma->0) =      -13.46283401


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0515: real time    0.0523
    SETDIJ:  cpu time    0.0043: real time    0.0043
     EDDAV:  cpu time   25.4253: real time   25.4343
       DOS:  cpu time    0.0173: real time    0.0173
    CHARGE:  cpu time    0.1712: real time    0.1750
    MIXING:  cpu time    0.0055: real time    0.0055
    --------------------------------------------
      LOOP:  cpu time   25.6751: real time   25.6886

 eigenvalue-minimisations  : 10324
 total energy-change (2. order) : 0.1205177E-03  (-0.1364455E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1030767 magnetization 

 Broyden mixing:
  rms(total) = 0.79214E-02    rms(broyden)= 0.79214E-02
  rms(prec ) = 0.91452E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6956
  1.1832  1.1832  2.4087  2.0071

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.28460159
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.50124284
  PAW double counting   =       473.73883098     -372.42027295
  entropy T*S    EENTRO =        -0.04122191
  eigenvalues    EBANDS =        26.00773117
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48332317 eV

  energy without entropy =      -13.44210127  energy(sigma->0) =      -13.46271222


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0504: real time    0.0507
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   25.0879: real time   25.0982
       DOS:  cpu time    0.0170: real time    0.0170
    --------------------------------------------
      LOOP:  cpu time   25.1591: real time   25.1698

 eigenvalue-minimisations  :  9872
 total energy-change (2. order) : 0.8160334E-05  (-0.1518015E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1030767 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11919041
  Ewald energy   TEWEN  =      -220.77882393
  -Hartree energ DENC   =        -3.28635535
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.49659655
  PAW double counting   =       467.00323717     -365.68696798
  entropy T*S    EENTRO =        -0.04121921
  eigenvalues    EBANDS =        26.00713295
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.48331501 eV

  energy without entropy =      -13.44209580  energy(sigma->0) =      -13.46270540


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -23.7345       2 -73.6686       3 -73.7168       4 -73.7163
 
 
 
 E-fermi :   6.7179     XC(G=0):  -9.7442     alpha+bet :-14.2434


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4639      2.00000
      2       4.4486      2.00000
      3       4.4533      2.00000
      4       5.2504      2.00000
      5       5.6930      1.99993
      6       6.3974      1.92210
      7       8.0781      0.00000
      8      12.9429      0.00000
      9      12.9445      0.00000
     10      13.4502      0.00000
     11      13.4892      0.00000
     12      13.5843      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4150      2.00000
      2       3.7909      2.00000
      3       4.4974      2.00000
      4       5.2990      2.00000
      5       6.0453      1.99760
      6       6.7533      0.82517
      7       8.1966      0.00000
      8      11.7308      0.00000
      9      12.4398      0.00000
     10      12.6606      0.00000
     11      13.6319      0.00000
     12      13.9935      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2693      2.00000
      2       2.7738      2.00000
      3       4.6437      2.00000
      4       5.4443      1.99999
      5       6.2923      1.97206
      6       7.4323      0.00158
      7       8.7762      0.00000
      8      10.5921      0.00000
      9      11.3273      0.00000
     10      11.9921      0.00000
     11      13.6931      0.00000
     12      13.7739      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.0303      2.00000
      2       1.7875      2.00000
      3       4.8860      2.00000
      4       5.6852      1.99993
      5       6.5545      1.67363
      6       7.7478      0.00007
      7       9.5505      0.00000
      8       9.9802      0.00000
      9      10.2984      0.00000
     10      11.1935      0.00000
     11      13.2106      0.00000
     12      14.0027      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.7069      2.00000
      2       0.8906      2.00000
      3       5.2205      2.00000
      4       6.0181      1.99818
      5       6.8863      0.31327
      6       7.9139      0.00001
      7       8.6149      0.00000
      8       9.3711      0.00000
      9      10.3688      0.00000
     10      11.4689      0.00000
     11      12.8195      0.00000
     12      14.3018      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.3260      2.00000
      2       0.1234      2.00000
      3       5.6335      1.99996
      4       6.4305      1.89309
      5       7.2650      0.00839
      6       7.8004      0.00004
      7       8.0392      0.00000
      8       8.5613      0.00000
      9       9.6491      0.00000
     10      12.3149      0.00000
     11      13.2954      0.00000
     12      14.6334      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.9895      2.00000
      2      -0.4071      2.00000
      3       6.0504      1.99748
      4       6.8516      0.41605
      5       7.1827      0.01899
      6       7.5785      0.00037
      7       7.9413      0.00001
      8       8.1464      0.00000
      9       9.1184      0.00000
     10      12.2115      0.00000
     11      14.8907      0.00000
     12      14.9568      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.4150      2.00000
      2       3.7866      2.00000
      3       4.5022      2.00000
      4       5.2989      2.00000
      5       6.0494      1.99750
      6       6.7494      0.84395
      7       8.1957      0.00000
      8      11.7306      0.00000
      9      12.4357      0.00000
     10      12.6622      0.00000
     11      13.6354      0.00000
     12      13.9964      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3661      2.00000
      2       3.6932      2.00000
      3       4.0118      2.00000
      4       5.3475      2.00000
      5       6.6392      1.37444
      6       6.8496      0.42294
      7       8.2956      0.00000
      8      11.0329      0.00000
      9      12.3512      0.00000
     10      12.6853      0.00000
     11      12.9925      0.00000
     12      13.8716      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.2203      2.00000
      2       2.8016      2.00000
      3       4.0402      2.00000
      4       5.4928      1.99999
      5       6.9235      0.22702
      6       7.5177      0.00067
      7       8.8033      0.00000
      8      10.0564      0.00000
      9      11.3693      0.00000
     10      12.5147      0.00000
     11      12.6826      0.00000
     12      13.7013      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.9810      2.00000
      2       1.8264      2.00000
      3       4.2683      2.00000
      4       5.7336      1.99989
      5       7.1762      0.02024
      6       7.7966      0.00004
      7       9.0744      0.00000
      8      10.0730      0.00000
      9      10.3455      0.00000
     10      11.6845      0.00000
     11      12.9069      0.00000
     12      13.2627      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.6571      2.00000
      2       0.9326      2.00000
      3       4.5903      2.00000
      4       6.0664      1.99704
      5       7.4601      0.00120
      6       7.7190      0.00009
      7       8.5310      0.00000
      8       9.4191      0.00000
      9      10.8351      0.00000
     10      11.5181      0.00000
     11      12.8797      0.00000
     12      13.2205      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.2753      2.00000
      2       0.1658      2.00000
      3       4.9837      2.00000
      4       6.4787      1.83243
      5       7.0615      0.06242
      6       7.9824      0.00001
      7       8.4546      0.00000
      8       8.6098      0.00000
      9      10.0420      0.00000
     10      12.4288      0.00000
     11      13.2885      0.00000
     12      13.5931      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -1.9370      2.00000
      2      -0.3659      2.00000
      3       5.3638      2.00000
      4       6.5452      1.69807
      5       6.8995      0.28000
      6       7.9902      0.00001
      7       8.2905      0.00000
      8       8.6593      0.00000
      9       9.3591      0.00000
     10      12.3168      0.00000
     11      13.9256      0.00000
     12      14.8804      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2695      2.00000
      2       2.7702      2.00000
      3       4.6483      2.00000
      4       5.4441      1.99999
      5       6.2976      1.97056
      6       7.4300      0.00162
      7       8.7716      0.00000
      8      10.5927      0.00000
      9      11.3236      0.00000
     10      11.9936      0.00000
     11      13.6909      0.00000
     12      13.7763      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2204      2.00000
      2       2.7981      2.00000
      3       4.0442      2.00000
      4       5.4927      1.99999
      5       6.9285      0.21719
      6       7.5159      0.00068
      7       8.7993      0.00000
      8      10.0568      0.00000
      9      11.3658      0.00000
     10      12.5156      0.00000
     11      12.6867      0.00000
     12      13.7005      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.0741      2.00000
      2       2.7143      2.00000
      3       3.2640      2.00000
      4       5.6379      1.99996
      5       7.4057      0.00206
      6       8.1772      0.00000
      7       8.7943      0.00000
      8       9.4818      0.00000
      9      11.3800      0.00000
     10      11.6844      0.00000
     11      12.9245      0.00000
     12      13.7180      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.8340      2.00000
      2       1.9272      2.00000
      3       3.2982      2.00000
      4       5.8786      1.99955
      5       7.3363      0.00412
      6       8.3494      0.00000
      7       8.8279      0.00000
      8      10.2145      0.00000
      9      10.4832      0.00000
     10      11.7827      0.00000
     11      12.3680      0.00000
     12      13.4670      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.5085      2.00000
      2       1.0543      2.00000
      3       3.5884      2.00000
      4       6.2112      1.98748
      5       6.7922      0.64510
      6       8.4146      0.00000
      7       9.0351      0.00000
      8       9.5623      0.00000
      9      11.5289      0.00000
     10      11.7075      0.00000
     11      12.0949      0.00000
     12      13.1405      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.1236      2.00000
      2       0.2910      2.00000
      3       3.9579      2.00000
      4       6.1291      1.99447
      5       6.6230      1.44189
      6       8.7017      0.00000
      7       8.7546      0.00000
      8       9.2394      0.00000
      9      10.8375      0.00000
     10      12.4746      0.00000
     11      12.8237      0.00000
     12      13.2424      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.7799      2.00000
      2      -0.2440      2.00000
      3       4.3030      2.00000
      4       5.6206      1.99997
      5       7.0427      0.07481
      6       8.1364      0.00000
      7       8.9278      0.00000
      8       9.5418      0.00000
      9      10.1993      0.00000
     10      12.6716      0.00000
     11      12.8213      0.00000
     12      14.2704      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.0306      2.00000
      2       1.7845      2.00000
      3       4.8904      2.00000
      4       5.6849      1.99993
      5       6.5598      1.65872
      6       7.7473      0.00007
      7       9.5519      0.00000
      8       9.9728      0.00000
      9      10.2954      0.00000
     10      11.1950      0.00000
     11      13.2096      0.00000
     12      14.3630      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9813      2.00000
      2       1.8235      2.00000
      3       4.2723      2.00000
      4       5.7333      1.99989
      5       7.1808      0.01934
      6       7.7975      0.00004
      7       9.0746      0.00000
      8      10.0661      0.00000
      9      10.3425      0.00000
     10      11.6859      0.00000
     11      12.9109      0.00000
     12      13.2626      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.8342      2.00000
      2       1.9247      2.00000
      3       3.3013      2.00000
      4       5.8784      1.99955
      5       7.3367      0.00410
      6       8.3525      0.00000
      7       8.8298      0.00000
      8      10.2083      0.00000
      9      10.4804      0.00000
     10      11.7859      0.00000
     11      12.3678      0.00000
     12      13.4701      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.5924      2.00000
      2       1.8951      2.00000
      3       2.5696      2.00000
      4       6.1189      1.99501
      5       6.6966      1.10656
      6       8.4494      0.00000
      7       9.8877      0.00000
      8      10.5714      0.00000
      9      10.6024      0.00000
     10      10.8676      0.00000
     11      12.4735      0.00000
     12      13.5083      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.2640      2.00000
      2       1.2312      2.00000
      3       2.6378      2.00000
      4       5.9287      1.99925
      5       6.4510      1.87036
      6       8.6804      0.00000
      7       9.7957      0.00000
      8      10.3219      0.00000
      9      11.0694      0.00000
     10      11.7590      0.00000
     11      12.0861      0.00000
     12      13.5060      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.8735      2.00000
      2       0.4905      2.00000
      3       2.9618      2.00000
      4       5.2314      2.00000
      5       6.8621      0.38254
      6       8.9855      0.00000
      7       8.9930      0.00000
      8      10.4313      0.00000
      9      11.4507      0.00000
     10      11.6603      0.00000
     11      13.0131      0.00000
     12      13.6185      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.5195      2.00000
      2      -0.0480      2.00000
      3       3.2701      2.00000
      4       4.7396      2.00000
      5       7.2803      0.00720
      6       8.3773      0.00000
      7       9.2480      0.00000
      8      10.3731      0.00000
      9      11.4585      0.00000
     10      11.8061      0.00000
     11      13.2227      0.00000
     12      13.3092      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.7076      2.00000
      2       0.8882      2.00000
      3       5.2246      2.00000
      4       6.0175      1.99819
      5       6.8916      0.29956
      6       7.9138      0.00001
      7       8.6169      0.00000
      8       9.3687      0.00000
      9      10.3703      0.00000
     10      11.4600      0.00000
     11      12.8193      0.00000
     12      14.6117      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6578      2.00000
      2       0.9303      2.00000
      3       4.5941      2.00000
      4       6.0659      1.99706
      5       7.4628      0.00116
      6       7.7230      0.00009
      7       8.5313      0.00000
      8       9.4168      0.00000
      9      10.8368      0.00000
     10      11.5093      0.00000
     11      12.8802      0.00000
     12      13.2241      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.5090      2.00000
      2       1.0521      2.00000
      3       3.5915      2.00000
      4       6.2108      1.98754
      5       6.7932      0.64059
      6       8.4159      0.00000
      7       9.0395      0.00000
      8       9.5601      0.00000
      9      11.5257      0.00000
     10      11.7032      0.00000
     11      12.0979      0.00000
     12      13.1432      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.2643      2.00000
      2       1.2295      2.00000
      3       2.6399      2.00000
      4       5.9293      1.99925
      5       6.4508      1.87068
      6       8.6803      0.00000
      7       9.7937      0.00000
      8      10.3275      0.00000
      9      11.0717      0.00000
     10      11.7519      0.00000
     11      12.0869      0.00000
     12      13.5081      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.9309      2.00000
      2       1.2708      2.00000
      3       1.9839      2.00000
      4       5.1172      2.00000
      5       6.7823      0.68901
      6       8.9781      0.00000
      7      10.0191      0.00000
      8      10.2458      0.00000
      9      11.3241      0.00000
     10      11.9666      0.00000
     11      12.4424      0.00000
     12      13.4500      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.5309      2.00000
      2       0.7357      2.00000
      3       2.0706      2.00000
      4       4.4230      2.00000
      5       7.1924      0.01725
      6       9.3170      0.00000
      7       9.3206      0.00000
      8      10.5324      0.00000
      9      11.1690      0.00000
     10      12.5506      0.00000
     11      12.7888      0.00000
     12      12.8489      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.1592      2.00000
      2       0.2065      2.00000
      3       2.3186      2.00000
      4       3.9580      2.00000
      5       7.6092      0.00027
      6       8.7059      0.00000
      7       9.6187      0.00000
      8      10.8454      0.00000
      9      10.8920      0.00000
     10      12.2854      0.00000
     11      12.8133      0.00000
     12      12.9918      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.3271      2.00000
      2       0.1217      2.00000
      3       5.6373      1.99996
      4       6.4296      1.89404
      5       7.2701      0.00797
      6       7.8031      0.00004
      7       8.0397      0.00000
      8       8.5595      0.00000
      9       9.6503      0.00000
     10      12.3137      0.00000
     11      13.2869      0.00000
     12      14.6357      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2763      2.00000
      2       0.1642      2.00000
      3       4.9871      2.00000
      4       6.4778      1.83382
      5       7.0636      0.06113
      6       7.9877      0.00001
      7       8.4546      0.00000
      8       8.6080      0.00000
      9      10.0439      0.00000
     10      12.4282      0.00000
     11      13.2803      0.00000
     12      13.5963      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.1245      2.00000
      2       0.2895      2.00000
      3       3.9607      2.00000
      4       6.1308      1.99438
      5       6.6222      1.44511
      6       8.7015      0.00000
      7       8.7530      0.00000
      8       9.2445      0.00000
      9      10.8397      0.00000
     10      12.4772      0.00000
     11      12.8253      0.00000
     12      13.2351      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       0.4892      2.00000
      3       2.9638      2.00000
      4       5.2325      2.00000
      5       6.8615      0.38447
      6       8.9849      0.00000
      7       8.9916      0.00000
      8      10.4353      0.00000
      9      11.4526      0.00000
     10      11.6636      0.00000
     11      13.0114      0.00000
     12      13.6191      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.5313      2.00000
      2       0.7348      2.00000
      3       2.0719      2.00000
      4       4.4235      2.00000
      5       7.1920      0.01731
      6       9.3159      0.00000
      7       9.3202      0.00000
      8      10.5337      0.00000
      9      11.1699      0.00000
     10      12.5522      0.00000
     11      12.7933      0.00000
     12      12.8496      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.1142      2.00000
      2       0.8512      2.00000
      3       1.4576      2.00000
      4       3.7535      2.00000
      5       7.6012      0.00029
      6       9.6302      0.00000
      7       9.7072      0.00000
      8       9.8093      0.00000
      9      11.3326      0.00000
     10      12.0529      0.00000
     11      12.1871      0.00000
     12      14.0673      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.7093      2.00000
      2       0.4796      2.00000
      3       1.4738      2.00000
      4       3.3265      2.00000
      5       8.0182      0.00000
      6       9.0995      0.00000
      7      10.0655      0.00000
      8      10.0925      0.00000
      9      11.1007      0.00000
     10      11.4842      0.00000
     11      12.0973      0.00000
     12      14.3598      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9911      2.00000
      2      -0.4082      2.00000
      3       6.0537      1.99740
      4       6.8502      0.42091
      5       7.1860      0.01837
      6       7.5829      0.00035
      7       7.9402      0.00001
      8       8.1488      0.00000
      9       9.1183      0.00000
     10      12.2121      0.00000
     11      14.8925      0.00000
     12      14.9394      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9386      2.00000
      2      -0.3669      2.00000
      3       5.3668      2.00000
      4       6.5481      1.69063
      5       6.8980      0.28347
      6       7.9892      0.00001
      7       8.2942      0.00000
      8       8.6612      0.00000
      9       9.3607      0.00000
     10      12.3178      0.00000
     11      13.9281      0.00000
     12      14.8717      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.7813      2.00000
      2      -0.2449      2.00000
      3       4.3054      2.00000
      4       5.6229      1.99996
      5       7.0414      0.07577
      6       8.1355      0.00000
      7       8.9269      0.00000
      8       9.5458      0.00000
      9      10.2035      0.00000
     10      12.6742      0.00000
     11      12.8233      0.00000
     12      14.2900      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.5207      2.00000
      2      -0.0487      2.00000
      3       3.2718      2.00000
      4       4.7412      2.00000
      5       7.2792      0.00728
      6       8.3766      0.00000
      7       9.2469      0.00000
      8      10.3751      0.00000
      9      11.4649      0.00000
     10      11.8075      0.00000
     11      13.2248      0.00000
     12      13.3138      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.1601      2.00000
      2       0.2061      2.00000
      3       2.3197      2.00000
      4       3.9591      2.00000
      5       7.6083      0.00027
      6       8.7054      0.00000
      7       9.6178      0.00000
      8      10.8462      0.00000
      9      10.8928      0.00000
     10      12.2868      0.00000
     11      12.8157      0.00000
     12      12.9978      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.7099      2.00000
      2       0.4795      2.00000
      3       1.4742      2.00000
      4       3.3269      2.00000
      5       8.0176      0.00000
      6       9.0994      0.00000
      7      10.0649      0.00000
      8      10.0927      0.00000
      9      11.1011      0.00000
     10      11.4849      0.00000
     11      12.0977      0.00000
     12      14.3636      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.2302      2.00000
      2       0.6405      2.00000
      3       0.8405      2.00000
      4       2.9412      2.00000
      5       8.4421      0.00000
      6       9.4358      0.00000
      7       9.4993      0.00000
      8      10.5463      0.00000
      9      10.9177      0.00000
     10      11.1860      0.00000
     11      11.4868      0.00000
     12      14.4053      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3598      2.00000
      2       3.8274      2.00000
      3       4.5566      2.00000
      4       4.5816      2.00000
      5       6.1555      1.99281
      6       7.1753      0.02044
      7       8.5773      0.00000
      8      11.6651      0.00000
      9      11.7681      0.00000
     10      12.5412      0.00000
     11      12.8285      0.00000
     12      13.5360      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3108      2.00000
      2       3.7495      2.00000
      3       4.0218      2.00000
      4       4.6818      2.00000
      5       6.6949      1.11481
      6       7.3436      0.00383
      7       8.6311      0.00000
      8      11.0501      0.00000
      9      11.5983      0.00000
     10      12.0115      0.00000
     11      13.1303      0.00000
     12      13.9868      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.1649      2.00000
      2       2.8505      2.00000
      3       4.0680      2.00000
      4       4.8240      2.00000
      5       7.1250      0.03355
      6       8.0419      0.00000
      7       8.9304      0.00000
      8      10.0747      0.00000
      9      10.7605      0.00000
     10      11.9867      0.00000
     11      12.7662      0.00000
     12      14.1340      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.9254      2.00000
      2       1.8764      2.00000
      3       4.3020      2.00000
      4       5.0533      2.00000
      5       7.3810      0.00264
      6       8.3307      0.00000
      7       9.1516      0.00000
      8       9.7246      0.00000
      9      10.1929      0.00000
     10      11.9852      0.00000
     11      12.2280      0.00000
     12      13.6960      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.6011      2.00000
      2       0.9830      2.00000
      3       4.6300      2.00000
      4       5.3650      2.00000
      5       7.6362      0.00021
      6       7.8995      0.00001
      7       8.7758      0.00000
      8       9.1268      0.00000
      9      11.2072      0.00000
     10      11.5772      0.00000
     11      12.4654      0.00000
     12      13.2901      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.2184      2.00000
      2       0.2160      2.00000
      3       5.0297      2.00000
      4       5.7402      1.99989
      5       7.1753      0.02043
      6       7.7086      0.00010
      7       8.4477      0.00000
      8       9.1013      0.00000
      9      10.5154      0.00000
     10      12.6103      0.00000
     11      12.8172      0.00000
     12      13.4922      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -1.8787      2.00000
      2      -0.3171      2.00000
      3       5.4126      2.00000
      4       6.1220      1.99485
      5       6.5607      1.65639
      6       7.4009      0.00216
      7       8.5170      0.00000
      8       9.2712      0.00000
      9       9.9630      0.00000
     10      12.5289      0.00000
     11      13.1717      0.00000
     12      14.6685      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.2141      2.00000
      2       2.8172      2.00000
      3       4.7028      2.00000
      4       4.7275      2.00000
      5       6.4676      1.84876
      6       7.9993      0.00001
      7       8.9233      0.00000
      8      10.6442      0.00000
      9      10.6447      0.00000
     10      12.2473      0.00000
     11      12.6679      0.00000
     12      13.7833      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1650      2.00000
      2       2.8471      2.00000
      3       4.0719      2.00000
      4       4.8241      2.00000
      5       7.1303      0.03184
      6       8.0385      0.00000
      7       8.9275      0.00000
      8      10.0748      0.00000
      9      10.7578      0.00000
     10      11.9904      0.00000
     11      12.7679      0.00000
     12      14.1317      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.0186      2.00000
      2       2.7716      2.00000
      3       3.2940      2.00000
      4       4.9635      2.00000
      5       8.0907      0.00000
      6       8.2246      0.00000
      7       8.8457      0.00000
      8       9.5439      0.00000
      9      10.6755      0.00000
     10      11.2407      0.00000
     11      13.3079      0.00000
     12      14.1037      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.7783      2.00000
      2       1.9796      2.00000
      3       3.3384      2.00000
      4       5.1867      2.00000
      5       7.7425      0.00007
      6       8.5625      0.00000
      7       9.0096      0.00000
      8       9.8827      0.00000
      9      10.2627      0.00000
     10      11.2988      0.00000
     11      12.8403      0.00000
     12      13.8532      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.4525      2.00000
      2       1.1057      2.00000
      3       3.6332      2.00000
      4       5.4807      1.99999
      5       7.0055      0.10677
      6       8.6485      0.00000
      7       9.0028      0.00000
      8       9.5383      0.00000
      9      11.2451      0.00000
     10      11.9230      0.00000
     11      12.0494      0.00000
     12      13.4776      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.0668      2.00000
      2       0.3418      2.00000
      3       4.0065      2.00000
      4       5.7590      1.99986
      5       6.3801      1.93406
      6       8.0915      0.00000
      7       9.3701      0.00000
      8       9.5685      0.00000
      9      11.2575      0.00000
     10      11.7297      0.00000
     11      13.0149      0.00000
     12      13.4425      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.7216      2.00000
      2      -0.1945      2.00000
      3       4.3558      2.00000
      4       5.5985      1.99997
      5       6.3555      1.94808
      6       7.5927      0.00032
      7       9.6248      0.00000
      8       9.9058      0.00000
      9      10.5410      0.00000
     10      12.0971      0.00000
     11      12.7443      0.00000
     12      13.8475      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9751      2.00000
      2       1.8338      2.00000
      3       4.9448      2.00000
      4       4.9676      2.00000
      5       6.7106      1.03694
      6       8.4207      0.00000
      7       9.6057      0.00000
      8       9.6236      0.00000
      9      10.0495      0.00000
     10      11.5541      0.00000
     11      12.8990      0.00000
     12      13.5451      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9257      2.00000
      2       1.8735      2.00000
      3       4.3060      2.00000
      4       5.0532      2.00000
      5       7.3866      0.00249
      6       8.3306      0.00000
      7       9.1513      0.00000
      8       9.7207      0.00000
      9      10.1879      0.00000
     10      11.9879      0.00000
     11      12.2308      0.00000
     12      13.6944      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7785      2.00000
      2       1.9770      2.00000
      3       3.3415      2.00000
      4       5.1866      2.00000
      5       7.7430      0.00007
      6       8.5681      0.00000
      7       9.0085      0.00000
      8       9.8786      0.00000
      9      10.2600      0.00000
     10      11.3004      0.00000
     11      12.8412      0.00000
     12      13.8536      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.5365      2.00000
      2       1.9529      2.00000
      3       2.6088      2.00000
      4       5.3909      2.00000
      5       6.9320      0.21053
      6       9.0708      0.00000
      7       9.6509      0.00000
      8      10.0558      0.00000
      9      10.2161      0.00000
     10      11.0342      0.00000
     11      13.1601      0.00000
     12      13.9576      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.2078      2.00000
      2       1.2851      2.00000
      3       2.6837      2.00000
      4       5.5633      1.99998
      5       6.2529      1.98106
      6       9.0710      0.00000
      7       9.3906      0.00000
      8      10.3871      0.00000
      9      10.5893      0.00000
     10      12.0111      0.00000
     11      12.6687      0.00000
     12      13.8461      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.8166      2.00000
      2       0.5427      2.00000
      3       3.0121      2.00000
      4       5.2091      2.00000
      5       6.2689      1.97781
      6       8.3619      0.00000
      7       9.7391      0.00000
      8      10.7373      0.00000
      9      10.8305      0.00000
     10      12.0224      0.00000
     11      13.0600      0.00000
     12      13.5229      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.4613      2.00000
      2       0.0027      2.00000
      3       3.3248      2.00000
      4       4.7524      2.00000
      5       6.5809      1.59499
      6       7.8268      0.00003
      7      10.0454      0.00000
      8      10.8948      0.00000
      9      11.1404      0.00000
     10      11.5681      0.00000
     11      12.5314      0.00000
     12      13.7404      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6516      2.00000
      2       0.9384      2.00000
      3       5.2789      2.00000
      4       5.2969      2.00000
      5       6.9675      0.15230
      6       8.6118      0.00000
      7       8.6714      0.00000
      8       8.7752      0.00000
      9      10.7856      0.00000
     10      11.5642      0.00000
     11      13.0899      0.00000
     12      13.2138      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6017      2.00000
      2       0.9807      2.00000
      3       4.6337      2.00000
      4       5.3646      2.00000
      5       7.6411      0.00020
      6       7.9012      0.00001
      7       8.7746      0.00000
      8       9.1266      0.00000
      9      11.2087      0.00000
     10      11.5697      0.00000
     11      12.4678      0.00000
     12      13.2899      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.4530      2.00000
      2       1.1036      2.00000
      3       3.6362      2.00000
      4       5.4804      1.99999
      5       7.0065      0.10572
      6       8.6502      0.00000
      7       9.0035      0.00000
      8       9.5397      0.00000
      9      11.2451      0.00000
     10      11.9174      0.00000
     11      12.0510      0.00000
     12      13.4788      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.2081      2.00000
      2       1.2833      2.00000
      3       2.6859      2.00000
      4       5.5633      1.99998
      5       6.2532      1.98101
      6       9.0695      0.00000
      7       9.3909      0.00000
      8      10.3891      0.00000
      9      10.5944      0.00000
     10      12.0039      0.00000
     11      12.6689      0.00000
     12      13.8471      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.8745      2.00000
      2       1.3289      2.00000
      3       2.0284      2.00000
      4       5.0943      2.00000
      5       6.2138      1.98716
      6       9.2541      0.00000
      7       9.5925      0.00000
      8       9.8170      0.00000
      9      11.7710      0.00000
     10      12.3058      0.00000
     11      12.8833      0.00000
     12      12.9823      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.4740      2.00000
      2       0.7904      2.00000
      3       2.1213      2.00000
      4       4.4406      2.00000
      5       6.5521      1.67999
      6       8.6668      0.00000
      7       9.8833      0.00000
      8      10.0849      0.00000
      9      11.8391      0.00000
     10      12.2477      0.00000
     11      12.9564      0.00000
     12      13.2154      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.1012      2.00000
      2       0.2592      2.00000
      3       2.3744      2.00000
      4       3.9813      2.00000
      5       6.9120      0.25123
      6       8.1227      0.00000
      7      10.1804      0.00000
      8      10.4344      0.00000
      9      11.3956      0.00000
     10      11.9115      0.00000
     11      13.0164      0.00000
     12      13.6255      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2702      2.00000
      2       0.1716      2.00000
      3       5.6915      1.99993
      4       5.6992      1.99992
      5       7.1682      0.02192
      6       7.8579      0.00002
      7       8.0787      0.00000
      8       8.7560      0.00000
      9      10.2179      0.00000
     10      12.6056      0.00000
     11      13.2754      0.00000
     12      13.5838      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2194      2.00000
      2       0.2143      2.00000
      3       5.0331      2.00000
      4       5.7394      1.99989
      5       7.1772      0.02006
      6       7.7105      0.00010
      7       8.4503      0.00000
      8       9.1017      0.00000
      9      10.5169      0.00000
     10      12.6117      0.00000
     11      12.8150      0.00000
     12      13.4864      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.0677      2.00000
      2       0.3403      2.00000
      3       4.0092      2.00000
      4       5.7590      1.99986
      5       6.3810      1.93348
      6       8.0906      0.00000
      7       9.3726      0.00000
      8       9.5713      0.00000
      9      11.2596      0.00000
     10      11.7321      0.00000
     11      13.0145      0.00000
     12      13.4356      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.8173      2.00000
      2       0.5414      2.00000
      3       3.0141      2.00000
      4       5.2101      2.00000
      5       6.2684      1.97792
      6       8.3608      0.00000
      7       9.7387      0.00000
      8      10.7397      0.00000
      9      10.8354      0.00000
     10      12.0242      0.00000
     11      13.0610      0.00000
     12      13.5170      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.4744      2.00000
      2       0.7895      2.00000
      3       2.1226      2.00000
      4       4.4411      2.00000
      5       6.5518      1.68100
      6       8.6659      0.00000
      7       9.8844      0.00000
      8      10.0846      0.00000
      9      11.8408      0.00000
     10      12.2492      0.00000
     11      12.9613      0.00000
     12      13.2135      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.0571      2.00000
      2       0.9095      2.00000
      3       1.5080      2.00000
      4       3.7794      2.00000
      5       6.9386      0.19836
      6       8.8739      0.00000
      7       9.2628      0.00000
      8      10.4516      0.00000
      9      11.5515      0.00000
     10      12.1601      0.00000
     11      12.8906      0.00000
     12      14.1112      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.6515      2.00000
      2       0.5351      2.00000
      3       1.5301      2.00000
      4       3.3524      2.00000
      5       7.3275      0.00449
      6       8.4527      0.00000
      7       9.3993      0.00000
      8      10.7956      0.00000
      9      11.0610      0.00000
     10      11.9430      0.00000
     11      12.8787      0.00000
     12      14.5376      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.9327      2.00000
      2      -0.3596      2.00000
      3       6.0964      1.99601
      4       6.1074      1.99555
      5       7.0584      0.06429
      6       7.2413      0.01061
      7       7.8079      0.00004
      8       8.8523      0.00000
      9       9.8356      0.00000
     10      12.4701      0.00000
     11      13.9074      0.00000
     12      14.7710      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8802      2.00000
      2      -0.3181      2.00000
      3       5.4156      2.00000
      4       6.1211      1.99490
      5       6.5625      1.65098
      6       7.4011      0.00216
      7       8.5217      0.00000
      8       9.2733      0.00000
      9       9.9629      0.00000
     10      12.5296      0.00000
     11      13.1741      0.00000
     12      14.6687      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.7230      2.00000
      2      -0.1955      2.00000
      3       4.3582      2.00000
      4       5.6005      1.99997
      5       6.3542      1.94870
      6       7.5922      0.00032
      7       9.6263      0.00000
      8       9.9093      0.00000
      9      10.5437      0.00000
     10      12.0992      0.00000
     11      12.7464      0.00000
     12      13.8492      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.4626      2.00000
      2       0.0020      2.00000
      3       3.3266      2.00000
      4       4.7540      2.00000
      5       6.5797      1.59877
      6       7.8264      0.00003
      7      10.0444      0.00000
      8      10.8974      0.00000
      9      11.1420      0.00000
     10      11.5736      0.00000
     11      12.5341      0.00000
     12      13.7440      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.1021      2.00000
      2       0.2587      2.00000
      3       2.3755      2.00000
      4       3.9824      2.00000
      5       6.9110      0.25328
      6       8.1224      0.00000
      7      10.1811      0.00000
      8      10.4337      0.00000
      9      11.3961      0.00000
     10      11.9134      0.00000
     11      13.0236      0.00000
     12      13.6264      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.6520      2.00000
      2       0.5350      2.00000
      3       1.5306      2.00000
      4       3.3528      2.00000
      5       7.3270      0.00452
      6       8.4528      0.00000
      7       9.3996      0.00000
      8      10.7953      0.00000
      9      11.0610      0.00000
     10      11.9437      0.00000
     11      12.8790      0.00000
     12      14.5449      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.1726      2.00000
      2       0.6989      2.00000
      3       0.8974      2.00000
      4       2.9662      2.00000
      5       7.7635      0.00006
      6       8.6803      0.00000
      7       8.8128      0.00000
      8      10.5489      0.00000
      9      11.3461      0.00000
     10      12.0304      0.00000
     11      12.2907      0.00000
     12      14.8455      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0488      2.00000
      2       2.9241      2.00000
      3       3.6625      2.00000
      4       4.8659      2.00000
      5       6.6328      1.40171
      6       8.5484      0.00000
      7       9.5407      0.00000
      8       9.9060      0.00000
      9      10.7862      0.00000
     10      11.4370      0.00000
     11      12.3461      0.00000
     12      13.2575      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.9997      2.00000
      2       2.9649      2.00000
      3       3.6456      2.00000
      4       4.3344      2.00000
      5       7.2987      0.00599
      6       8.5935      0.00000
      7       9.5851      0.00000
      8       9.6940      0.00000
      9      10.3542      0.00000
     10      11.0538      0.00000
     11      12.9475      0.00000
     12      13.7270      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8530      2.00000
      2       2.9431      2.00000
      3       3.2852      2.00000
      4       3.9996      2.00000
      5       8.3425      0.00000
      6       8.7688      0.00000
      7       9.0041      0.00000
      8       9.5904      0.00000
      9       9.8698      0.00000
     10      10.7974      0.00000
     11      13.5607      0.00000
     12      14.4096      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.6120      2.00000
      2       2.1321      2.00000
      3       3.4145      2.00000
      4       4.1529      2.00000
      5       7.9970      0.00001
      6       8.4282      0.00000
      7       9.2514      0.00000
      8       9.7432      0.00000
      9      10.1069      0.00000
     10      11.0269      0.00000
     11      13.2981      0.00000
     12      14.5864      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.2849      2.00000
      2       1.2580      2.00000
      3       3.7395      2.00000
      4       4.4164      2.00000
      5       7.1104      0.03873
      6       7.8445      0.00003
      7       9.4061      0.00000
      8      10.2604      0.00000
      9      10.5054      0.00000
     10      12.0380      0.00000
     11      12.6493      0.00000
     12      13.7904      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.8968      2.00000
      2       0.4929      2.00000
      3       4.1405      2.00000
      4       4.7366      2.00000
      5       6.3038      1.96869
      6       7.2442      0.01031
      7       9.7311      0.00000
      8      10.6364      0.00000
      9      10.7522      0.00000
     10      11.9699      0.00000
     11      12.9476      0.00000
     12      13.5614      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.5471      2.00000
      2      -0.0474      2.00000
      3       4.5073      2.00000
      4       5.0910      2.00000
      5       5.6213      1.99997
      6       6.8505      0.41972
      7      10.0230      0.00000
      8      10.8534      0.00000
      9      11.0324      0.00000
     10      11.4947      0.00000
     11      12.4048      0.00000
     12      13.8776      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.8091      2.00000
      2       1.9753      2.00000
      3       3.8644      2.00000
      4       5.1078      2.00000
      5       6.8086      0.57548
      6       8.6836      0.00000
      7       9.6375      0.00000
      8       9.7658      0.00000
      9      10.2431      0.00000
     10      11.6506      0.00000
     11      11.8575      0.00000
     12      13.4642      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7596      2.00000
      2       2.0171      2.00000
      3       3.8696      2.00000
      4       4.5411      2.00000
      5       7.4595      0.00120
      6       8.6921      0.00000
      7       9.1132      0.00000
      8       9.8170      0.00000
      9      10.3603      0.00000
     10      11.1926      0.00000
     11      12.3911      0.00000
     12      13.9938      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.6122      2.00000
      2       2.1294      2.00000
      3       3.4174      2.00000
      4       4.1530      2.00000
      5       7.9972      0.00001
      6       8.4299      0.00000
      7       9.2544      0.00000
      8       9.7412      0.00000
      9      10.1062      0.00000
     10      11.0249      0.00000
     11      13.3007      0.00000
     12      14.5848      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.3696      2.00000
      2       2.1260      2.00000
      3       2.7119      2.00000
      4       4.3179      2.00000
      5       7.1159      0.03670
      6       8.6423      0.00000
      7       9.2082      0.00000
      8      10.2673      0.00000
      9      10.2870      0.00000
     10      11.2747      0.00000
     11      13.8323      0.00000
     12      13.9485      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.0399      2.00000
      2       1.4451      2.00000
      3       2.8156      2.00000
      4       4.5751      2.00000
      5       6.2886      1.97306
      6       8.0387      0.00000
      7       9.3655      0.00000
      8      10.6177      0.00000
      9      10.9225      0.00000
     10      12.1785      0.00000
     11      13.0644      0.00000
     12      13.5965      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.6466      2.00000
      2       0.6981      2.00000
      3       3.1598      2.00000
      4       4.8131      2.00000
      5       5.6426      1.99996
      6       7.3779      0.00272
      7       9.7018      0.00000
      8      11.0558      0.00000
      9      11.1566      0.00000
     10      12.1534      0.00000
     11      12.8976      0.00000
     12      13.8547      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.2872      2.00000
      2       0.1536      2.00000
      3       3.4875      2.00000
      4       4.7435      2.00000
      5       5.4716      1.99999
      6       6.9249      0.22427
      7       9.9877      0.00000
      8      11.3237      0.00000
      9      11.5854      0.00000
     10      11.6386      0.00000
     11      12.2128      0.00000
     12      14.2501      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4842      2.00000
      2       1.0862      2.00000
      3       4.1792      2.00000
      4       5.4417      1.99999
      5       6.8443      0.44084
      6       8.0521      0.00000
      7       8.8341      0.00000
      8       9.7995      0.00000
      9      11.2901      0.00000
     10      11.7456      0.00000
     11      11.9674      0.00000
     12      13.5838      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4343      2.00000
      2       1.1296      2.00000
      3       4.1983      2.00000
      4       4.8336      2.00000
      5       7.2865      0.00677
      6       8.0774      0.00000
      7       8.5430      0.00000
      8      10.1519      0.00000
      9      11.1729      0.00000
     10      11.6023      0.00000
     11      12.0926      0.00000
     12      13.9786      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2854      2.00000
      2       1.2558      2.00000
      3       3.7424      2.00000
      4       4.4162      2.00000
      5       7.1110      0.03853
      6       7.8441      0.00003
      7       9.4120      0.00000
      8      10.2626      0.00000
      9      10.5047      0.00000
     10      12.0307      0.00000
     11      12.6522      0.00000
     12      13.7905      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.0402      2.00000
      2       1.4433      2.00000
      3       2.8178      2.00000
      4       4.5749      2.00000
      5       6.2890      1.97294
      6       8.0375      0.00000
      7       9.3673      0.00000
      8      10.6214      0.00000
      9      10.9246      0.00000
     10      12.1720      0.00000
     11      13.0641      0.00000
     12      13.5982      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.7059      2.00000
      2       1.5030      2.00000
      3       2.1581      2.00000
      4       4.7156      2.00000
      5       5.6186      1.99997
      6       8.0934      0.00000
      7       8.7623      0.00000
      8      11.0518      0.00000
      9      11.9381      0.00000
     10      12.1043      0.00000
     11      12.9373      0.00000
     12      14.0123      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.3038      2.00000
      2       0.9536      2.00000
      3       2.2716      2.00000
      4       4.4446      2.00000
      5       5.5356      1.99999
      6       7.5997      0.00030
      7       8.8557      0.00000
      8      11.1520      0.00000
      9      11.6419      0.00000
     10      12.6045      0.00000
     11      13.6403      0.00000
     12      14.0614      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -0.9275      2.00000
      2       0.4160      2.00000
      3       2.5409      2.00000
      4       4.0396      2.00000
      5       5.7771      1.99984
      6       7.1274      0.03278
      7       9.0837      0.00000
      8      10.8278      0.00000
      9      11.8769      0.00000
     10      12.7207      0.00000
     11      13.2620      0.00000
     12      14.8988      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.1002      2.00000
      2       0.3197      2.00000
      3       4.5658      2.00000
      4       5.8537      1.99965
      5       6.5174      1.76281
      6       7.8942      0.00002
      7       8.0218      0.00000
      8       9.6779      0.00000
      9      11.2073      0.00000
     10      12.3468      0.00000
     11      13.1470      0.00000
     12      13.4215      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0494      2.00000
      2       0.3631      2.00000
      3       4.5996      2.00000
      4       5.1850      2.00000
      5       6.6747      1.21305
      6       7.5212      0.00065
      7       8.5467      0.00000
      8      10.1369      0.00000
      9      11.3487      0.00000
     10      11.6753      0.00000
     11      13.3566      0.00000
     12      13.5108      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8977      2.00000
      2       0.4914      2.00000
      3       4.1432      2.00000
      4       4.7359      2.00000
      5       6.3046      1.96844
      6       7.2440      0.01033
      7       9.7372      0.00000
      8      10.6387      0.00000
      9      10.7527      0.00000
     10      11.9727      0.00000
     11      12.9480      0.00000
     12      13.5534      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.6473      2.00000
      2       0.6967      2.00000
      3       3.1619      2.00000
      4       4.8130      2.00000
      5       5.6429      1.99996
      6       7.3771      0.00274
      7       9.7036      0.00000
      8      11.0586      0.00000
      9      11.1603      0.00000
     10      12.1542      0.00000
     11      12.9000      0.00000
     12      13.8462      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.3042      2.00000
      2       0.9526      2.00000
      3       2.2729      2.00000
      4       4.4450      2.00000
      5       5.5352      1.99999
      6       7.5991      0.00030
      7       8.8567      0.00000
      8      11.1523      0.00000
      9      11.6421      0.00000
     10      12.6102      0.00000
     11      13.6414      0.00000
     12      14.0556      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.8862      2.00000
      2       1.0841      2.00000
      3       1.6575      2.00000
      4       3.8465      2.00000
      5       5.8448      1.99968
      6       7.7050      0.00010
      7       8.2757      0.00000
      8      10.6181      0.00000
      9      11.9494      0.00000
     10      13.4817      0.00000
     11      14.0707      0.00000
     12      14.3498      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.4784      2.00000
      2       0.7009      2.00000
      3       1.6987      2.00000
      4       3.4254      2.00000
      5       6.1921      1.98964
      6       7.3664      0.00305
      7       8.2816      0.00000
      8      10.2323      0.00000
      9      12.3084      0.00000
     10      13.2694      0.00000
     11      14.2515      0.00000
     12      14.7263      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7579      2.00000
      2      -0.2152      2.00000
      3       4.9377      2.00000
      4       6.0691      1.99696
      5       6.2685      1.97790
      6       7.4067      0.00204
      7       7.9864      0.00001
      8       9.5005      0.00000
      9      11.1983      0.00000
     10      12.6885      0.00000
     11      13.2032      0.00000
     12      14.1739      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7054      2.00000
      2      -0.1731      2.00000
      3       4.9779      2.00000
      4       5.5524      1.99998
      5       6.0557      1.99734
      6       7.0883      0.04809
      7       8.7366      0.00000
      8       9.9847      0.00000
      9      11.2587      0.00000
     10      12.0149      0.00000
     11      13.0610      0.00000
     12      13.8826      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.5485      2.00000
      2      -0.0484      2.00000
      3       4.5096      2.00000
      4       5.0902      2.00000
      5       5.6222      1.99997
      6       6.8509      0.41834
      7      10.0288      0.00000
      8      10.8565      0.00000
      9      11.0346      0.00000
     10      11.4947      0.00000
     11      12.4066      0.00000
     12      13.8779      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.2884      2.00000
      2       0.1529      2.00000
      3       3.4892      2.00000
      4       4.7448      2.00000
      5       5.4705      1.99999
      6       6.9247      0.22459
      7       9.9892      0.00000
      8      11.3260      0.00000
      9      11.5893      0.00000
     10      11.6401      0.00000
     11      12.2159      0.00000
     12      14.2521      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.9284      2.00000
      2       0.4155      2.00000
      3       2.5420      2.00000
      4       4.0406      2.00000
      5       5.7762      1.99984
      6       7.1273      0.03282
      7       9.0846      0.00000
      8      10.8288      0.00000
      9      11.8760      0.00000
     10      12.7239      0.00000
     11      13.2680      0.00000
     12      14.9011      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.4789      2.00000
      2       0.7008      2.00000
      3       1.6991      2.00000
      4       3.4259      2.00000
      5       6.1916      1.98970
      6       7.3665      0.00304
      7       8.2819      0.00000
      8      10.2327      0.00000
      9      12.3078      0.00000
     10      13.2703      0.00000
     11      14.2516      0.00000
     12      14.7335      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1       0.0000      2.00000
      2       0.8738      2.00000
      3       1.0676      2.00000
      4       3.0380      2.00000
      5       6.6332      1.40016
      6       7.5084      0.00074
      7       7.6864      0.00012
      8       9.8710      0.00000
      9      12.7649      0.00000
     10      13.4629      0.00000
     11      13.6925      0.00000
     12      15.8749      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5354      2.00000
      2       2.1371      2.00000
      3       2.8662      2.00000
      4       5.3784      2.00000
      5       6.7112      1.03365
      6       7.9994      0.00001
      7      10.0127      0.00000
      8      10.1742      0.00000
      9      10.5219      0.00000
     10      11.1387      0.00000
     11      12.0582      0.00000
     12      13.1158      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.4858      2.00000
      2       2.1861      2.00000
      3       2.8938      2.00000
      4       4.7624      2.00000
      5       7.1350      0.03043
      6       8.3097      0.00000
      7       9.3327      0.00000
      8       9.8002      0.00000
      9      10.5366      0.00000
     10      11.5730      0.00000
     11      12.5613      0.00000
     12      13.4240      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3378      2.00000
      2       2.3279      2.00000
      3       2.9349      2.00000
      4       3.8495      2.00000
      5       7.4463      0.00137
      6       8.2969      0.00000
      7       8.9523      0.00000
      8       9.4249      0.00000
      9      10.6814      0.00000
     10      11.9387      0.00000
     11      13.5108      0.00000
     12      13.7519      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0942      2.00000
      2       2.4138      2.00000
      3       2.7203      2.00000
      4       3.4389      2.00000
      5       7.2348      0.01132
      6       7.5402      0.00054
      7       8.4352      0.00000
      8      10.5267      0.00000
      9      11.0593      0.00000
     10      12.0862      0.00000
     11      13.0093      0.00000
     12      14.2828      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.7626      2.00000
      2       1.7030      2.00000
      3       2.9686      2.00000
      4       3.5985      2.00000
      5       6.3425      1.95424
      6       7.0840      0.05017
      7       8.4138      0.00000
      8      11.0203      0.00000
      9      11.7636      0.00000
     10      12.1641      0.00000
     11      12.9732      0.00000
     12      14.1671      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.3654      2.00000
      2       0.9516      2.00000
      3       3.3776      2.00000
      4       3.8694      2.00000
      5       5.5119      1.99999
      6       6.5507      1.68385
      7       8.6608      0.00000
      8      11.0190      0.00000
      9      11.5802      0.00000
     10      12.6329      0.00000
     11      13.6610      0.00000
     12      14.2127      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -0.9982      2.00000
      2       0.4001      2.00000
      3       3.7466      2.00000
      4       4.2035      2.00000
      5       4.8002      2.00000
      6       6.2038      1.98837
      7       8.8941      0.00000
      8      10.6786      0.00000
      9      11.8153      0.00000
     10      12.7489      0.00000
     11      13.3159      0.00000
     12      15.1334      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2080      2.00000
      2       1.3183      2.00000
      3       3.1005      2.00000
      4       5.7119      1.99991
      5       6.2247      1.98568
      6       7.9076      0.00001
      7       9.1019      0.00000
      8      10.6616      0.00000
      9      10.8215      0.00000
     10      11.6515      0.00000
     11      12.2649      0.00000
     12      13.3205      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1580      2.00000
      2       1.3638      2.00000
      3       3.1377      2.00000
      4       5.0445      2.00000
      5       6.4658      1.85127
      6       8.3226      0.00000
      7       8.6668      0.00000
      8      10.1842      0.00000
      9      11.2523      0.00000
     10      11.8995      0.00000
     11      12.5161      0.00000
     12      13.5017      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.0088      2.00000
      2       1.4973      2.00000
      3       3.2284      2.00000
      4       4.0905      2.00000
      5       6.5921      1.55753
      6       7.6100      0.00027
      7       9.2243      0.00000
      8       9.7150      0.00000
      9      11.8289      0.00000
     10      12.2257      0.00000
     11      12.7624      0.00000
     12      13.3757      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.7629      2.00000
      2       1.7011      2.00000
      3       2.9707      2.00000
      4       3.5985      2.00000
      5       6.3424      1.95431
      6       7.0835      0.05037
      7       8.4155      0.00000
      8      11.0272      0.00000
      9      11.7629      0.00000
     10      12.1603      0.00000
     11      12.9705      0.00000
     12      14.1703      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.4272      2.00000
      2       1.7924      2.00000
      3       2.3528      2.00000
      4       3.7966      2.00000
      5       5.6218      1.99997
      6       6.9604      0.16263
      7       7.8610      0.00002
      8      10.9862      0.00000
      9      12.4138      0.00000
     10      12.5515      0.00000
     11      13.3737      0.00000
     12      14.8794      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.0221      2.00000
      2       1.2216      2.00000
      3       2.5142      2.00000
      4       4.0397      2.00000
      5       4.9699      2.00000
      6       6.5572      1.66614
      7       7.8388      0.00003
      8      10.3820      0.00000
      9      12.9406      0.00000
     10      13.1392      0.00000
     11      14.5174      0.00000
     12      14.6588      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.6394      2.00000
      2       0.6731      2.00000
      3       2.8151      2.00000
      4       4.0613      2.00000
      5       4.6973      2.00000
      6       6.1775      1.99105
      7       7.9824      0.00001
      8      10.0010      0.00000
      9      13.3119      0.00000
     10      13.4777      0.00000
     11      14.0807      0.00000
     12      15.6383      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8192      2.00000
      2       0.5597      2.00000
      3       3.4606      2.00000
      4       5.5945      1.99997
      5       6.1231      1.99479
      6       8.0853      0.00000
      7       8.2928      0.00000
      8      10.2256      0.00000
      9      11.2050      0.00000
     10      12.5500      0.00000
     11      12.7149      0.00000
     12      13.5677      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7684      2.00000
      2       0.6044      2.00000
      3       3.5030      2.00000
      4       5.2829      2.00000
      5       5.8929      1.99948
      6       7.7565      0.00006
      7       8.7835      0.00000
      8      10.4928      0.00000
      9      10.9006      0.00000
     10      12.5565      0.00000
     11      13.0233      0.00000
     12      13.2992      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6166      2.00000
      2       0.7369      2.00000
      3       3.6211      2.00000
      4       4.3937      2.00000
      5       5.8084      1.99978
      6       6.9859      0.12843
      7       9.5882      0.00000
      8      10.0185      0.00000
      9      11.8159      0.00000
     10      12.0319      0.00000
     11      12.9783      0.00000
     12      13.8907      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.3661      2.00000
      2       0.9502      2.00000
      3       3.3796      2.00000
      4       3.8689      2.00000
      5       5.5121      1.99999
      6       6.5507      1.68380
      7       8.6626      0.00000
      8      11.0218      0.00000
      9      11.5856      0.00000
     10      12.6334      0.00000
     11      13.6636      0.00000
     12      14.2042      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.0225      2.00000
      2       1.2205      2.00000
      3       2.5156      2.00000
      4       4.0396      2.00000
      5       4.9700      2.00000
      6       6.5568      1.66718
      7       7.8398      0.00003
      8      10.3826      0.00000
      9      12.9464      0.00000
     10      13.1399      0.00000
     11      14.5094      0.00000
     12      14.6614      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.6031      2.00000
      2       1.3745      2.00000
      3       1.8993      2.00000
      4       3.8827      2.00000
      5       4.8376      2.00000
      6       6.5646      1.64492
      7       7.2740      0.00766
      8       9.8057      0.00000
      9      13.5021      0.00000
     10      14.3364      0.00000
     11      14.9912      0.00000
     12      15.1850      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.1912      2.00000
      2       0.9742      2.00000
      3       1.9774      2.00000
      4       3.5275      2.00000
      5       5.0751      2.00000
      6       6.2925      1.97200
      7       7.1755      0.02039
      8       9.4635      0.00000
      9      13.9013      0.00000
     10      14.6548      0.00000
     11      15.0430      0.00000
     12      15.7427      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4678      2.00000
      2       0.0195      2.00000
      3       3.8019      2.00000
      4       5.0985      2.00000
      5       6.5361      1.72074
      6       7.6801      0.00013
      7       8.2724      0.00000
      8       9.9067      0.00000
      9      11.5575      0.00000
     10      12.7536      0.00000
     11      13.0147      0.00000
     12      13.1862      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4155      2.00000
      2       0.0628      2.00000
      3       3.8495      2.00000
      4       5.0739      2.00000
      5       5.9086      1.99939
      6       7.2560      0.00917
      7       9.0230      0.00000
      8      10.4064      0.00000
      9      10.9311      0.00000
     10      12.4615      0.00000
     11      12.8541      0.00000
     12      13.8733      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2589      2.00000
      2       0.1913      2.00000
      3       3.9877      2.00000
      4       4.7148      2.00000
      5       5.1550      2.00000
      6       6.5896      1.56597
      7       9.8765      0.00000
      8      10.3377      0.00000
      9      11.2626      0.00000
     10      11.8636      0.00000
     11      13.0078      0.00000
     12      14.8069      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.9994      2.00000
      2       0.3993      2.00000
      3       3.7482      2.00000
      4       4.2027      2.00000
      5       4.8007      2.00000
      6       6.2044      1.98831
      7       8.8956      0.00000
      8      10.6805      0.00000
      9      11.8220      0.00000
     10      12.7530      0.00000
     11      13.3156      0.00000
     12      15.1332      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.6403      2.00000
      2       0.6726      2.00000
      3       2.8162      2.00000
      4       4.0621      2.00000
      5       4.6965      2.00000
      6       6.1776      1.99104
      7       7.9833      0.00001
      8      10.0020      0.00000
      9      13.3174      0.00000
     10      13.4791      0.00000
     11      14.0841      0.00000
     12      15.6407      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.1918      2.00000
      2       0.9741      2.00000
      3       1.9779      2.00000
      4       3.5279      2.00000
      5       5.0745      2.00000
      6       6.2927      1.97194
      7       7.1758      0.02033
      8       9.4639      0.00000
      9      13.9007      0.00000
     10      14.6578      0.00000
     11      15.0487      0.00000
     12      15.7422      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.2864      2.00000
      2       1.1647      2.00000
      3       1.3494      2.00000
      4       3.1465      2.00000
      5       5.5112      1.99999
      6       6.3651      1.94296
      7       6.5717      1.62387
      8       9.1564      0.00000
      9      14.3599      0.00000
     10      15.0127      0.00000
     11      15.2372      0.00000
     12      16.2073      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8292      2.00000
      2       1.5264      2.00000
      3       2.2258      2.00000
      4       5.3907      2.00000
      5       6.0866      1.99638
      6       8.1356      0.00000
      7       9.4479      0.00000
      8       9.8115      0.00000
      9      10.8599      0.00000
     10      11.7089      0.00000
     11      12.7702      0.00000
     12      13.3112      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.7790      2.00000
      2       1.5776      2.00000
      3       2.2625      2.00000
      4       5.1627      2.00000
      5       5.8089      1.99977
      6       8.6897      0.00000
      7       8.8136      0.00000
      8       9.3561      0.00000
      9      11.5848      0.00000
     10      12.1328      0.00000
     11      12.6229      0.00000
     12      13.1197      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6291      2.00000
      2       1.7306      2.00000
      3       2.3669      2.00000
      4       4.3526      2.00000
      5       5.7564      1.99987
      6       7.7228      0.00009
      7       8.4685      0.00000
      8      10.0127      0.00000
      9      11.7836      0.00000
     10      12.4237      0.00000
     11      13.0369      0.00000
     12      13.7532      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.3819      2.00000
      2       1.9803      2.00000
      3       2.5010      2.00000
      4       3.4672      2.00000
      5       5.8298      1.99972
      6       6.7053      1.06326
      7       7.7061      0.00010
      8      10.8243      0.00000
      9      11.5543      0.00000
     10      12.7959      0.00000
     11      14.0727      0.00000
     12      14.5772      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.0437      2.00000
      2       2.1961      2.00000
      3       2.4339      2.00000
      4       3.0245      2.00000
      5       5.7064      1.99992
      6       5.9098      1.99938
      7       7.1399      0.02897
      8      10.1745      0.00000
      9      12.8023      0.00000
     10      13.3303      0.00000
     11      14.5836      0.00000
     12      15.2945      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.6335      2.00000
      2       1.5827      2.00000
      3       2.7976      2.00000
      4       3.1977      2.00000
      5       4.8932      2.00000
      6       5.6969      1.99993
      7       6.9377      0.19989
      8       9.6052      0.00000
      9      13.3876      0.00000
     10      14.5087      0.00000
     11      15.0495      0.00000
     12      15.3719      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.2397      2.00000
      2       1.0206      2.00000
      3       3.1818      2.00000
      4       3.5071      2.00000
      5       4.1683      2.00000
      6       5.4672      1.99999
      7       6.9634      0.15824
      8       9.2690      0.00000
      9      13.7421      0.00000
     10      14.7007      0.00000
     11      15.2535      0.00000
     12      16.4986      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4322      2.00000
      2       0.8709      2.00000
      3       2.4562      2.00000
      4       4.7013      2.00000
      5       6.4968      1.80261
      6       8.4214      0.00000
      7       8.6647      0.00000
      8      10.1754      0.00000
      9      10.5145      0.00000
     10      12.0554      0.00000
     11      12.5195      0.00000
     12      13.9398      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.3813      2.00000
      2       0.9181      2.00000
      3       2.5004      2.00000
      4       4.6900      2.00000
      5       5.9492      1.99908
      6       8.0934      0.00000
      7       9.1116      0.00000
      8       9.5815      0.00000
      9      11.1796      0.00000
     10      12.0326      0.00000
     11      12.7001      0.00000
     12      14.0216      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2294      2.00000
      2       1.0582      2.00000
      3       2.6307      2.00000
      4       4.4829      2.00000
      5       5.2320      2.00000
      6       7.1706      0.02140
      7       8.6413      0.00000
      8      10.3160      0.00000
      9      11.1874      0.00000
     10      12.4744      0.00000
     11      13.7052      0.00000
     12      14.2734      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.9785      2.00000
      2       1.2857      2.00000
      3       2.8342      2.00000
      4       3.7364      2.00000
      5       5.0646      2.00000
      6       6.2922      1.97208
      7       7.7341      0.00008
      8      10.2650      0.00000
      9      11.9007      0.00000
     10      13.7043      0.00000
     11      14.3324      0.00000
     12      14.8414      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.6339      2.00000
      2       1.5816      2.00000
      3       2.7990      2.00000
      4       3.1975      2.00000
      5       4.8930      2.00000
      6       5.6972      1.99993
      7       6.9385      0.19846
      8       9.6058      0.00000
      9      13.3951      0.00000
     10      14.5053      0.00000
     11      15.0464      0.00000
     12      15.3741      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.2119      2.00000
      2       1.7796      2.00000
      3       2.2146      2.00000
      4       3.4541      2.00000
      5       4.4082      2.00000
      6       5.5087      1.99999
      7       6.3658      1.94261
      8       9.0873      0.00000
      9      14.7741      0.00000
     10      15.0315      0.00000
     11      15.6051      0.00000
     12      16.1119      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1       0.2071      2.00000
      2       1.3483      2.00000
      3       2.3613      2.00000
      4       3.5769      2.00000
      5       4.0959      2.00000
      6       5.3254      2.00000
      7       6.1534      1.99296
      8       8.7954      0.00000
      9      15.2988      0.00000
     10      15.5487      0.00000
     11      16.0178      0.00000
     12      16.8442      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0656      2.00000
      2       0.3308      2.00000
      3       2.7505      2.00000
      4       4.2153      2.00000
      5       6.9078      0.26057
      6       8.0559      0.00000
      7       8.6655      0.00000
      8      10.1735      0.00000
      9      10.5343      0.00000
     10      11.9573      0.00000
     11      12.2427      0.00000
     12      14.1869      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0134      2.00000
      2       0.3762      2.00000
      3       2.8000      2.00000
      4       4.2266      2.00000
      5       6.2667      1.97830
      6       7.5686      0.00040
      7       9.4017      0.00000
      8       9.8911      0.00000
      9      10.6788      0.00000
     10      11.6480      0.00000
     11      12.9599      0.00000
     12      14.4815      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8573      2.00000
      2       0.5107      2.00000
      3       2.9474      2.00000
      4       4.2390      2.00000
      5       5.2459      2.00000
      6       6.7273      0.95307
      7       8.8751      0.00000
      8      10.5031      0.00000
      9      10.8206      0.00000
     10      12.1231      0.00000
     11      14.1937      0.00000
     12      14.6698      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.5986      2.00000
      2       0.7295      2.00000
      3       3.1872      2.00000
      4       4.0235      2.00000
      5       4.4364      2.00000
      6       5.9569      1.99901
      7       7.8813      0.00002
      8       9.8938      0.00000
      9      12.2079      0.00000
     10      13.3831      0.00000
     11      14.8866      0.00000
     12      15.5547      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.2406      2.00000
      2       1.0200      2.00000
      3       3.1828      2.00000
      4       3.5065      2.00000
      5       4.1685      2.00000
      6       5.4679      1.99999
      7       6.9643      0.15693
      8       9.2700      0.00000
      9      13.7497      0.00000
     10      14.7065      0.00000
     11      15.2525      0.00000
     12      16.4919      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.2066      2.00000
      2       1.3481      2.00000
      3       2.3617      2.00000
      4       3.5772      2.00000
      5       4.0954      2.00000
      6       5.3257      2.00000
      7       6.1537      1.99293
      8       8.7957      0.00000
      9      15.3060      0.00000
     10      15.5483      0.00000
     11      16.0213      0.00000
     12      16.8371      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.6837      2.00000
      2       1.5703      2.00000
      3       1.7384      2.00000
      4       3.2706      2.00000
      5       4.4750      2.00000
      6       5.3069      2.00000
      7       5.5407      1.99998
      8       8.5351      0.00000
      9      16.0228      0.00000
     10      16.5002      0.00000
     11      16.6057      0.00000
     12      16.7897      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9551      2.00000
      2       1.1115      2.00000
      3       1.6950      2.00000
      4       3.9274      2.00000
      5       6.9646      0.15644
      6       8.8438      0.00000
      7       9.0883      0.00000
      8       9.3028      0.00000
      9      10.5704      0.00000
     10      11.5045      0.00000
     11      11.6108      0.00000
     12      13.9476      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9040      2.00000
      2       1.1637      2.00000
      3       1.7381      2.00000
      4       3.9442      2.00000
      5       6.3689      1.94081
      6       8.3923      0.00000
      7       8.8097      0.00000
      8       9.5345      0.00000
      9      11.1088      0.00000
     10      11.3705      0.00000
     11      12.2039      0.00000
     12      14.2966      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7514      2.00000
      2       1.3200      2.00000
      3       1.8652      2.00000
      4       3.9763      2.00000
      5       5.4033      2.00000
      6       7.3266      0.00453
      7       7.9441      0.00001
      8      10.2388      0.00000
      9      10.9773      0.00000
     10      12.6609      0.00000
     11      13.3268      0.00000
     12      14.7032      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4991      2.00000
      2       1.5792      2.00000
      3       2.0681      2.00000
      4       3.8718      2.00000
      5       4.6232      2.00000
      6       6.2932      1.97181
      7       7.0618      0.06220
      8       9.6089      0.00000
      9      12.3349      0.00000
     10      14.0265      0.00000
     11      14.5742      0.00000
     12      15.0937      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.1520      2.00000
      2       1.9376      2.00000
      3       2.3220      2.00000
      4       3.2592      2.00000
      5       4.4610      2.00000
      6       5.3404      2.00000
      7       6.2666      1.97831
      8       9.0010      0.00000
      9      13.8545      0.00000
     10      15.0472      0.00000
     11      15.6297      0.00000
     12      16.1076      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.2755      2.00000
      2       2.2965      2.00000
      3       2.4493      2.00000
      4       2.7607      2.00000
      5       4.4540      2.00000
      6       4.5537      2.00000
      7       5.6262      1.99996
      8       8.5448      0.00000
      9      15.2532      0.00000
     10      15.7096      0.00000
     11      16.5969      0.00000
     12      17.0301      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.7080      2.00000
      2       1.8029      2.00000
      3       2.8275      2.00000
      4       3.0148      2.00000
      5       3.7424      2.00000
      6       4.5761      2.00000
      7       5.2485      2.00000
      8       8.2972      0.00000
      9      15.7721      0.00000
     10      16.6222      0.00000
     11      17.0676      0.00000
     12      17.5362      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5599      2.00000
      2       0.6806      2.00000
      3       1.8105      2.00000
      4       3.4746      2.00000
      5       7.3748      0.00280
      6       8.5152      0.00000
      7       9.1582      0.00000
      8       9.6321      0.00000
      9      10.3503      0.00000
     10      11.0425      0.00000
     11      11.3871      0.00000
     12      13.9632      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5080      2.00000
      2       0.7291      2.00000
      3       1.8608      2.00000
      4       3.4937      2.00000
      5       6.7362      0.90892
      6       7.9454      0.00001
      7       8.9900      0.00000
      8       9.8796      0.00000
      9      10.5233      0.00000
     10      11.2326      0.00000
     11      12.1180      0.00000
     12      14.3707      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3525      2.00000
      2       0.8735      2.00000
      3       2.0110      2.00000
      4       3.5461      2.00000
      5       5.7038      1.99992
      6       6.9817      0.13355
      7       7.9772      0.00001
      8       9.9117      0.00000
      9      11.2282      0.00000
     10      12.4057      0.00000
     11      13.3823      0.00000
     12      15.3141      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0948      2.00000
      2       1.1100      2.00000
      3       2.2589      2.00000
      4       3.6099      2.00000
      5       4.6998      2.00000
      6       6.0325      1.99789
      7       6.9790      0.13693
      8       9.2738      0.00000
      9      12.6810      0.00000
     10      13.7894      0.00000
     11      14.7830      0.00000
     12      16.3411      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.2619      2.00000
      2       1.4290      2.00000
      3       2.5978      2.00000
      4       3.5246      2.00000
      5       3.9150      2.00000
      6       5.1931      2.00000
      7       6.0595      1.99724
      8       8.7126      0.00000
      9      14.2222      0.00000
     10      15.2404      0.00000
     11      16.2104      0.00000
     12      16.7027      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.7075      2.00000
      2       1.8025      2.00000
      3       2.8279      2.00000
      4       3.0144      2.00000
      5       3.7425      2.00000
      6       4.5767      2.00000
      7       5.2488      2.00000
      8       8.2975      0.00000
      9      15.7795      0.00000
     10      16.6283      0.00000
     11      17.0624      0.00000
     12      17.5336      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       1.1833      2.00000
      2       2.0879      2.00000
      3       2.2203      2.00000
      4       3.3216      2.00000
      5       3.6124      2.00000
      6       4.3502      2.00000
      7       4.6235      2.00000
      8       8.0752      0.00000
      9      17.0215      0.00000
     10      17.4917      0.00000
     11      17.6978      0.00000
     12      17.9941      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.0045      2.00000
      2       0.8988      2.00000
      3       1.1027      2.00000
      4       2.9933      2.00000
      5       7.8792      0.00002
      6       8.8920      0.00000
      7       8.9815      0.00000
      8       9.7082      0.00000
      9      10.3661      0.00000
     10      10.3898      0.00000
     11      10.7062      0.00000
     12      13.7983      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.0473      2.00000
      2       0.9513      2.00000
      3       1.1534      2.00000
      4       3.0121      2.00000
      5       7.2501      0.00973
      6       8.1897      0.00000
      7       8.3449      0.00000
      8      10.0368      0.00000
      9      10.4644      0.00000
     10      11.1839      0.00000
     11      11.4664      0.00000
     12      14.1604      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.2023      2.00000
      2       1.1087      2.00000
      3       1.3049      2.00000
      4       3.0657      2.00000
      5       6.2199      1.98635
      6       7.1192      0.03553
      7       7.3209      0.00480
      8       9.5003      0.00000
      9      11.7498      0.00000
     10      12.5059      0.00000
     11      12.7542      0.00000
     12      15.0449      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4592      2.00000
      2       1.3704      2.00000
      3       1.5548      2.00000
      4       3.1459      2.00000
      5       5.2042      2.00000
      6       6.0817      1.99655
      7       6.3130      1.96573
      8       8.9136      0.00000
      9      13.2077      0.00000
     10      13.9497      0.00000
     11      14.1843      0.00000
     12      16.1976      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.8148      2.00000
      2       1.7349      2.00000
      3       1.8971      2.00000
      4       3.2356      2.00000
      5       4.2716      2.00000
      6       5.1245      2.00000
      7       5.3841      2.00000
      8       8.4024      0.00000
      9      14.7502      0.00000
     10      15.4431      0.00000
     11      15.6805      0.00000
     12      17.2010      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.2589      2.00000
      2       2.1984      2.00000
      3       2.3113      2.00000
      4       3.2425      2.00000
      5       3.5274      2.00000
      6       4.2625      2.00000
      7       4.5608      2.00000
      8       8.0273      0.00000
      9      16.3147      0.00000
     10      16.9017      0.00000
     11      17.1663      0.00000
     12      17.6070      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.7325      2.00000
      2       2.6983      2.00000
      3       2.7013      2.00000
      4       2.7484      2.00000
      5       3.5165      2.00000
      6       3.5280      2.00000
      7       3.8922      2.00000
      8       7.8281      0.00003
      9      17.5789      0.00000
     10      18.1255      0.00000
     11      18.1451      0.00000
     12      18.3197      0.00000

 k-point   197 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.4087      2.00000
      2       4.5030      2.00000
      3       4.5056      2.00000
      4       4.5078      2.00000
      5       5.7515      1.99987
      6       6.8346      0.47481
      7       8.5136      0.00000
      8      12.3918      0.00000
      9      12.3953      0.00000
     10      12.9991      0.00000
     11      13.0667      0.00000
     12      13.1696      0.00000

 k-point   198 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3597      2.00000
      2       3.8316      2.00000
      3       4.5519      2.00000
      4       4.5814      2.00000
      5       6.1526      1.99301
      6       7.1786      0.01977
      7       8.5776      0.00000
      8      11.6688      0.00000
      9      11.7681      0.00000
     10      12.5372      0.00000
     11      12.8264      0.00000
     12      13.5323      0.00000

 k-point   199 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.2140      2.00000
      2       2.8209      2.00000
      3       4.6982      2.00000
      4       4.7274      2.00000
      5       6.4626      1.85559
      6       8.0029      0.00001
      7       8.9266      0.00000
      8      10.6441      0.00000
      9      10.6473      0.00000
     10      12.2452      0.00000
     11      12.6639      0.00000
     12      13.7773      0.00000

 k-point   200 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.9747      2.00000
      2       1.8368      2.00000
      3       4.9404      2.00000
      4       4.9677      2.00000
      5       6.7054      1.06289
      6       8.4214      0.00000
      7       9.6044      0.00000
      8       9.6267      0.00000
      9      10.0560      0.00000
     10      11.5522      0.00000
     11      12.8952      0.00000
     12      13.5460      0.00000

 k-point   201 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.6509      2.00000
      2       0.9407      2.00000
      3       5.2748      2.00000
      4       5.2973      2.00000
      5       6.9626      0.15932
      6       8.6119      0.00000
      7       8.6693      0.00000
      8       8.7767      0.00000
      9      10.7846      0.00000
     10      11.5726      0.00000
     11      13.0904      0.00000
     12      13.2103      0.00000

 k-point   202 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.2692      2.00000
      2       0.1733      2.00000
      3       5.6877      1.99993
      4       5.7001      1.99992
      5       7.1648      0.02268
      6       7.8552      0.00002
      7       8.0780      0.00000
      8       8.7552      0.00000
      9      10.2173      0.00000
     10      12.6075      0.00000
     11      13.2829      0.00000
     12      13.5808      0.00000

 k-point   203 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -1.9312      2.00000
      2      -0.3585      2.00000
      3       6.0978      1.99595
      4       6.1042      1.99569
      5       7.0581      0.06448
      6       7.2380      0.01097
      7       7.8036      0.00004
      8       8.8501      0.00000
      9       9.8365      0.00000
     10      12.4698      0.00000
     11      13.9049      0.00000
     12      14.7750      0.00000

 k-point   204 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2439      2.00000
      2       3.3803      2.00000
      3       4.6663      2.00000
      4       4.6710      2.00000
      5       5.9262      1.99927
      6       7.1507      0.02605
      7       9.7031      0.00000
      8      11.1890      0.00000
      9      11.1932      0.00000
     10      12.2177      0.00000
     11      13.1628      0.00000
     12      13.2874      0.00000

 k-point   205 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.1949      2.00000
      2       3.3974      2.00000
      3       4.0572      2.00000
      4       4.7151      2.00000
      5       6.3266      1.96085
      6       7.5153      0.00069
      7       9.7235      0.00000
      8      10.5738      0.00000
      9      11.2230      0.00000
     10      11.9968      0.00000
     11      12.5555      0.00000
     12      13.1327      0.00000

 k-point   206 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.0487      2.00000
      2       2.9276      2.00000
      3       3.6627      2.00000
      4       4.8613      2.00000
      5       6.6280      1.42174
      6       8.5548      0.00000
      7       9.5433      0.00000
      8       9.9064      0.00000
      9      10.7855      0.00000
     10      11.4330      0.00000
     11      12.3426      0.00000
     12      13.2536      0.00000

 k-point   207 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       1.9783      2.00000
      3       3.8645      2.00000
      4       5.1034      2.00000
      5       6.8040      0.59466
      6       8.6856      0.00000
      7       9.6400      0.00000
      8       9.7644      0.00000
      9      10.2478      0.00000
     10      11.6466      0.00000
     11      11.8546      0.00000
     12      13.4593      0.00000

 k-point   208 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.4836      2.00000
      2       1.0886      2.00000
      3       4.1796      2.00000
      4       5.4375      1.99999
      5       6.8417      0.44971
      6       8.0512      0.00000
      7       8.8320      0.00000
      8       9.7985      0.00000
      9      11.2918      0.00000
     10      11.7502      0.00000
     11      11.9638      0.00000
     12      13.5810      0.00000

 k-point   209 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.0992      2.00000
      2       0.3214      2.00000
      3       4.5666      2.00000
      4       5.8499      1.99966
      5       6.5175      1.76261
      6       7.8900      0.00002
      7       8.0191      0.00000
      8       9.6753      0.00000
      9      11.2077      0.00000
     10      12.3436      0.00000
     11      13.1524      0.00000
     12      13.4229      0.00000

 k-point   210 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.7563      2.00000
      2      -0.2141      2.00000
      3       4.9392      2.00000
      4       6.0694      1.99696
      5       6.2653      1.97860
      6       7.4033      0.00211
      7       7.9815      0.00001
      8       9.4970      0.00000
      9      11.1997      0.00000
     10      12.6859      0.00000
     11      13.2032      0.00000
     12      14.1060      0.00000

 k-point   211 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1949      2.00000
      2       3.3970      2.00000
      3       4.0535      2.00000
      4       4.7198      2.00000
      5       6.3293      1.95981
      6       7.5118      0.00071
      7       9.7234      0.00000
      8      10.5702      0.00000
      9      11.2271      0.00000
     10      11.9968      0.00000
     11      12.5584      0.00000
     12      13.1340      0.00000

 k-point   212 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1458      2.00000
      2       3.4271      2.00000
      3       3.9183      2.00000
      4       4.3118      2.00000
      5       6.8603      0.38809
      6       7.7083      0.00010
      7       9.7334      0.00000
      8      10.4582      0.00000
      9      10.7152      0.00000
     10      11.4461      0.00000
     11      13.0277      0.00000
     12      13.4563      0.00000

 k-point   213 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9995      2.00000
      2       2.9683      2.00000
      3       3.6450      2.00000
      4       4.3310      2.00000
      5       7.2937      0.00630
      6       8.5995      0.00000
      7       9.5876      0.00000
      8       9.6940      0.00000
      9      10.3528      0.00000
     10      11.0515      0.00000
     11      12.9447      0.00000
     12      13.7229      0.00000

 k-point   214 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.7593      2.00000
      2       2.0201      2.00000
      3       3.8693      2.00000
      4       4.5376      2.00000
      5       7.4550      0.00126
      6       8.6929      0.00000
      7       9.1127      0.00000
      8       9.8217      0.00000
      9      10.3614      0.00000
     10      11.1905      0.00000
     11      12.3883      0.00000
     12      13.9881      0.00000

 k-point   215 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.4337      2.00000
      2       1.1319      2.00000
      3       4.1985      2.00000
      4       4.8302      2.00000
      5       7.2860      0.00680
      6       8.0744      0.00000
      7       8.5409      0.00000
      8      10.1517      0.00000
      9      11.1716      0.00000
     10      11.6036      0.00000
     11      12.0951      0.00000
     12      13.9785      0.00000

 k-point   216 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.0484      2.00000
      2       0.3648      2.00000
      3       4.6003      2.00000
      4       5.1818      2.00000
      5       6.6752      1.21061
      6       7.5187      0.00067
      7       8.5419      0.00000
      8      10.1347      0.00000
      9      11.3480      0.00000
     10      11.6727      0.00000
     11      13.3650      0.00000
     12      13.5110      0.00000

 k-point   217 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.7039      2.00000
      2      -0.1720      2.00000
      3       4.9792      2.00000
      4       5.5496      1.99998
      5       6.0553      1.99735
      6       7.0859      0.04921
      7       8.7314      0.00000
      8       9.9808      0.00000
      9      11.2599      0.00000
     10      12.0124      0.00000
     11      13.0600      0.00000
     12      13.8814      0.00000

 k-point   218 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9725      2.00000
      2       2.2850      2.00000
      3       4.9373      2.00000
      4       4.9420      2.00000
      5       6.2157      1.98691
      6       7.3298      0.00439
      7      10.0452      0.00000
      8      10.0496      0.00000
      9      11.2369      0.00000
     10      11.2442      0.00000
     11      13.0499      0.00000
     12      13.5066      0.00000

 k-point   219 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9232      2.00000
      2       2.3245      2.00000
      3       4.3042      2.00000
      4       4.9861      2.00000
      5       6.5873      1.57385
      6       7.7040      0.00010
      7       9.4898      0.00000
      8      10.0921      0.00000
      9      11.2585      0.00000
     10      11.6709      0.00000
     11      12.2432      0.00000
     12      13.0762      0.00000

 k-point   220 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7763      2.00000
      2       2.4168      2.00000
      3       3.3434      2.00000
      4       5.1321      2.00000
      5       6.7933      0.63995
      6       8.5034      0.00000
      7       8.9356      0.00000
      8      10.2262      0.00000
      9      11.1083      0.00000
     10      11.2793      0.00000
     11      11.9797      0.00000
     12      13.0605      0.00000

 k-point   221 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.5350      2.00000
      2       2.1398      2.00000
      3       2.8667      2.00000
      4       5.3740      2.00000
      5       6.7093      1.04314
      6       7.9985      0.00001
      7      10.0112      0.00000
      8      10.1806      0.00000
      9      10.5180      0.00000
     10      11.1374      0.00000
     11      12.0553      0.00000
     12      13.1133      0.00000

 k-point   222 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.2074      2.00000
      2       1.3207      2.00000
      3       3.1010      2.00000
      4       5.7077      1.99992
      5       6.2254      1.98559
      6       7.9034      0.00001
      7       9.0999      0.00000
      8      10.6585      0.00000
      9      10.8178      0.00000
     10      11.6574      0.00000
     11      12.2639      0.00000
     12      13.3191      0.00000

 k-point   223 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.8181      2.00000
      2       0.5615      2.00000
      3       3.4615      2.00000
      4       5.5954      1.99997
      5       6.1193      1.99499
      6       8.0803      0.00000
      7       8.2901      0.00000
      8      10.2216      0.00000
      9      11.2017      0.00000
     10      12.5514      0.00000
     11      12.7131      0.00000
     12      13.5639      0.00000

 k-point   224 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.4663      2.00000
      2       0.0206      2.00000
      3       3.8034      2.00000
      4       5.0990      2.00000
      5       6.5329      1.72845
      6       7.6767      0.00014
      7       8.2673      0.00000
      8       9.9023      0.00000
      9      11.5547      0.00000
     10      12.7549      0.00000
     11      13.0115      0.00000
     12      13.1819      0.00000

 k-point   225 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9232      2.00000
      2       2.3245      2.00000
      3       4.3001      2.00000
      4       4.9908      2.00000
      5       6.5903      1.56380
      6       7.7002      0.00011
      7       9.4864      0.00000
      8      10.0964      0.00000
      9      11.2588      0.00000
     10      11.6721      0.00000
     11      12.2430      0.00000
     12      13.0755      0.00000

 k-point   226 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.8740      2.00000
      2       2.3651      2.00000
      3       4.1987      2.00000
      4       4.5292      2.00000
      5       7.1283      0.03250
      6       7.8676      0.00002
      7       9.3546      0.00000
      8       9.7707      0.00000
      9      11.1417      0.00000
     10      11.7387      0.00000
     11      12.1205      0.00000
     12      13.4905      0.00000

 k-point   227 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.7270      2.00000
      2       2.4626      2.00000
      3       3.3597      2.00000
      4       4.5490      2.00000
      5       7.4333      0.00156
      6       8.5682      0.00000
      7       8.8695      0.00000
      8       9.8046      0.00000
      9      10.4375      0.00000
     10      11.5846      0.00000
     11      12.5957      0.00000
     12      13.4402      0.00000

 k-point   228 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.4854      2.00000
      2       2.1888      2.00000
      3       2.8941      2.00000
      4       4.7586      2.00000
      5       7.1349      0.03044
      6       8.3063      0.00000
      7       9.3310      0.00000
      8       9.8004      0.00000
      9      10.5404      0.00000
     10      11.5724      0.00000
     11      12.5576      0.00000
     12      13.4205      0.00000

 k-point   229 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.1574      2.00000
      2       1.3662      2.00000
      3       3.1382      2.00000
      4       5.0410      2.00000
      5       6.4669      1.84977
      6       8.3184      0.00000
      7       8.6638      0.00000
      8      10.1812      0.00000
      9      11.2500      0.00000
     10      11.9061      0.00000
     11      12.5148      0.00000
     12      13.4981      0.00000

 k-point   230 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.7673      2.00000
      2       0.6062      2.00000
      3       3.5039      2.00000
      4       5.2811      2.00000
      5       5.8924      1.99948
      6       7.7539      0.00006
      7       8.7781      0.00000
      8      10.4893      0.00000
      9      10.8970      0.00000
     10      12.5570      0.00000
     11      13.0235      0.00000
     12      13.2985      0.00000

 k-point   231 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.4140      2.00000
      2       0.0639      2.00000
      3       3.8510      2.00000
      4       5.0741      2.00000
      5       5.9058      1.99941
      6       7.2531      0.00944
      7       9.0177      0.00000
      8      10.4016      0.00000
      9      10.9284      0.00000
     10      12.4591      0.00000
     11      12.8555      0.00000
     12      13.8687      0.00000

 k-point   232 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7765      2.00000
      2       2.4163      2.00000
      3       3.3403      2.00000
      4       5.1367      2.00000
      5       6.7977      0.62126
      6       8.4989      0.00000
      7       8.9316      0.00000
      8      10.2303      0.00000
      9      11.1090      0.00000
     10      11.2797      0.00000
     11      11.9838      0.00000
     12      13.0615      0.00000

 k-point   233 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7271      2.00000
      2       2.4621      2.00000
      3       3.3568      2.00000
      4       4.5528      2.00000
      5       7.4373      0.00150
      6       8.5636      0.00000
      7       8.8682      0.00000
      8       9.8062      0.00000
      9      10.4382      0.00000
     10      11.5848      0.00000
     11      12.5996      0.00000
     12      13.4413      0.00000

 k-point   234 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5798      2.00000
      2       2.5844      2.00000
      3       3.2284      2.00000
      4       3.8343      2.00000
      5       8.1568      0.00000
      6       8.4603      0.00000
      7       8.9365      0.00000
      8       9.2918      0.00000
      9       9.9464      0.00000
     10      11.7740      0.00000
     11      13.4654      0.00000
     12      14.0110      0.00000

 k-point   235 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.3376      2.00000
      2       2.3305      2.00000
      3       2.9345      2.00000
      4       3.8470      2.00000
      5       7.4481      0.00135
      6       8.2956      0.00000
      7       8.9490      0.00000
      8       9.4215      0.00000
      9      10.6872      0.00000
     10      11.9387      0.00000
     11      13.5079      0.00000
     12      13.7499      0.00000

 k-point   236 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.0083      2.00000
      2       1.4996      2.00000
      3       3.2284      2.00000
      4       4.0879      2.00000
      5       6.5935      1.55275
      6       7.6087      0.00027
      7       9.2211      0.00000
      8       9.7094      0.00000
      9      11.8314      0.00000
     10      12.2297      0.00000
     11      12.7606      0.00000
     12      13.3738      0.00000

 k-point   237 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.6157      2.00000
      2       0.7385      2.00000
      3       3.6217      2.00000
      4       4.3913      2.00000
      5       5.8090      1.99977
      6       6.9843      0.13026
      7       9.5856      0.00000
      8      10.0124      0.00000
      9      11.8122      0.00000
     10      12.0306      0.00000
     11      12.9791      0.00000
     12      13.8976      0.00000

 k-point   238 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.2575      2.00000
      2       0.1923      2.00000
      3       3.9890      2.00000
      4       4.7128      2.00000
      5       5.1544      2.00000
      6       6.5879      1.57187
      7       9.8742      0.00000
      8      10.3317      0.00000
      9      11.2583      0.00000
     10      11.8607      0.00000
     11      13.0092      0.00000
     12      14.8074      0.00000

 k-point   239 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6021      2.00000
      2       1.2818      2.00000
      3       5.3132      2.00000
      4       5.3180      2.00000
      5       6.6163      1.46873
      6       7.4782      0.00100
      7       9.0082      0.00000
      8       9.0126      0.00000
      9      10.2828      0.00000
     10      12.4536      0.00000
     11      13.0447      0.00000
     12      13.8999      0.00000

 k-point   240 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.5525      2.00000
      2       1.3250      2.00000
      3       4.6711      2.00000
      4       5.3620      2.00000
      5       6.9070      0.26226
      6       7.8568      0.00002
      7       8.5659      0.00000
      8       9.0564      0.00000
      9      10.7356      0.00000
     10      12.6045      0.00000
     11      12.6503      0.00000
     12      12.9240      0.00000

 k-point   241 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.4043      2.00000
      2       1.4500      2.00000
      3       3.6691      2.00000
      4       5.5078      1.99999
      5       6.7769      0.71355
      6       7.9546      0.00001
      7       9.0530      0.00000
      8       9.2001      0.00000
      9      11.2921      0.00000
     10      11.4631      0.00000
     11      12.5723      0.00000
     12      13.2743      0.00000

 k-point   242 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.1605      2.00000
      2       1.6260      2.00000
      3       2.7291      2.00000
      4       5.7494      1.99988
      5       6.1483      1.99331
      6       7.9246      0.00001
      7       9.4330      0.00000
      8      10.2690      0.00000
      9      10.4280      0.00000
     10      11.5785      0.00000
     11      12.2897      0.00000
     12      13.7819      0.00000

 k-point   243 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.8286      2.00000
      2       1.5285      2.00000
      3       2.2266      2.00000
      4       5.3922      2.00000
      5       6.0825      1.99653
      6       8.1304      0.00000
      7       9.4457      0.00000
      8       9.8079      0.00000
      9      10.8560      0.00000
     10      11.7092      0.00000
     11      12.7740      0.00000
     12      13.9552      0.00000

 k-point   244 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.4311      2.00000
      2       0.8727      2.00000
      3       2.4572      2.00000
      4       4.7024      2.00000
      5       6.4930      1.80915
      6       8.4161      0.00000
      7       8.6620      0.00000
      8      10.1720      0.00000
      9      10.5099      0.00000
     10      12.0515      0.00000
     11      12.5169      0.00000
     12      13.9468      0.00000

 k-point   245 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.0640      2.00000
      2       0.3321      2.00000
      3       2.7521      2.00000
      4       4.2158      2.00000
      5       6.9046      0.26797
      6       8.0526      0.00000
      7       8.6603      0.00000
      8      10.1687      0.00000
      9      10.5314      0.00000
     10      11.9541      0.00000
     11      12.2377      0.00000
     12      14.1842      0.00000

 k-point   246 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.5525      2.00000
      2       1.3249      2.00000
      3       4.6669      2.00000
      4       5.3667      2.00000
      5       6.9104      0.25468
      6       7.8519      0.00002
      7       8.5637      0.00000
      8       9.0608      0.00000
      9      10.7360      0.00000
     10      12.6043      0.00000
     11      12.6489      0.00000
     12      12.9245      0.00000

 k-point   247 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.5028      2.00000
      2       1.3685      2.00000
      3       4.5893      2.00000
      4       4.8608      2.00000
      5       7.4482      0.00135
      6       7.8929      0.00002
      7       8.3953      0.00000
      8       8.9801      0.00000
      9      11.1622      0.00000
     10      11.7958      0.00000
     11      12.8413      0.00000
     12      13.2208      0.00000

 k-point   248 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3546      2.00000
      2       1.4948      2.00000
      3       3.6975      2.00000
      4       4.8867      2.00000
      5       7.1638      0.02290
      6       8.2684      0.00000
      7       8.4772      0.00000
      8       9.4585      0.00000
      9      10.7937      0.00000
     10      11.7850      0.00000
     11      13.0634      0.00000
     12      13.4132      0.00000

 k-point   249 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.1106      2.00000
      2       1.6741      2.00000
      3       2.7644      2.00000
      4       5.0748      2.00000
      5       6.3902      1.92727
      6       8.4444      0.00000
      7       8.8159      0.00000
      8       9.8581      0.00000
      9      10.6231      0.00000
     10      12.1388      0.00000
     11      12.7359      0.00000
     12      13.5147      0.00000

 k-point   250 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.7784      2.00000
      2       1.5797      2.00000
      3       2.2633      2.00000
      4       5.1616      2.00000
      5       5.8080      1.99978
      6       8.6852      0.00000
      7       8.8100      0.00000
      8       9.3533      0.00000
      9      11.5822      0.00000
     10      12.1343      0.00000
     11      12.6216      0.00000
     12      13.1203      0.00000

 k-point   251 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.3803      2.00000
      2       0.9199      2.00000
      3       2.5013      2.00000
      4       4.6908      2.00000
      5       5.9461      1.99911
      6       8.0909      0.00000
      7       9.1059      0.00000
      8       9.5785      0.00000
      9      11.1749      0.00000
     10      12.0299      0.00000
     11      12.6969      0.00000
     12      14.0271      0.00000

 k-point   252 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.0119      2.00000
      2       0.3773      2.00000
      3       2.8015      2.00000
      4       4.2270      2.00000
      5       6.2637      1.97892
      6       7.5657      0.00042
      7       9.3963      0.00000
      8       9.8883      0.00000
      9      10.6739      0.00000
     10      11.6450      0.00000
     11      12.9549      0.00000
     12      14.4824      0.00000

 k-point   253 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4044      2.00000
      2       1.4498      2.00000
      3       3.6656      2.00000
      4       5.5124      1.99999
      5       6.7782      0.70772
      6       7.9552      0.00001
      7       9.0481      0.00000
      8       9.2044      0.00000
      9      11.2941      0.00000
     10      11.4637      0.00000
     11      12.5735      0.00000
     12      13.2709      0.00000

 k-point   254 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.3547      2.00000
      2       1.4946      2.00000
      3       3.6942      2.00000
      4       4.8906      2.00000
      5       7.1629      0.02309
      6       8.2727      0.00000
      7       8.4774      0.00000
      8       9.4553      0.00000
      9      10.7944      0.00000
     10      11.7872      0.00000
     11      13.0643      0.00000
     12      13.4100      0.00000

 k-point   255 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.2062      2.00000
      2       1.6254      2.00000
      3       3.6262      2.00000
      4       4.0910      2.00000
      5       7.2581      0.00897
      6       7.7758      0.00005
      7       9.1853      0.00000
      8       9.6538      0.00000
      9      10.0190      0.00000
     10      12.6200      0.00000
     11      13.2795      0.00000
     12      13.5886      0.00000

 k-point   256 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.9618      2.00000
      2       1.8161      2.00000
      3       2.8555      2.00000
      4       4.1201      2.00000
      5       6.5382      1.71573
      6       7.8109      0.00004
      7       8.9207      0.00000
      8       9.7004      0.00000
      9      10.9362      0.00000
     10      12.6567      0.00000
     11      13.2275      0.00000
     12      13.5116      0.00000

 k-point   257 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.6286      2.00000
      2       1.7326      2.00000
      3       2.3674      2.00000
      4       4.3501      2.00000
      5       5.7576      1.99986
      6       7.7209      0.00009
      7       8.4663      0.00000
      8      10.0064      0.00000
      9      11.7838      0.00000
     10      12.4277      0.00000
     11      13.0342      0.00000
     12      13.7503      0.00000

 k-point   258 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.2285      2.00000
      2       1.0599      2.00000
      3       2.6314      2.00000
      4       4.4820      2.00000
      5       5.2312      2.00000
      6       7.1687      0.02181
      7       8.6389      0.00000
      8      10.3098      0.00000
      9      11.1853      0.00000
     10      12.4693      0.00000
     11      13.7056      0.00000
     12      14.2749      0.00000

 k-point   259 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -0.8560      2.00000
      2       0.5118      2.00000
      3       2.9488      2.00000
      4       4.2391      2.00000
      5       5.2437      2.00000
      6       6.7251      0.96431
      7       8.8730      0.00000
      8      10.4993      0.00000
      9      10.8156      0.00000
     10      12.1178      0.00000
     11      14.1886      0.00000
     12      14.6715      0.00000

 k-point   260 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1608      2.00000
      2       1.6253      2.00000
      3       2.7265      2.00000
      4       5.7537      1.99987
      5       6.1469      1.99340
      6       7.9289      0.00001
      7       9.4371      0.00000
      8      10.2655      0.00000
      9      10.4294      0.00000
     10      11.5795      0.00000
     11      12.2915      0.00000
     12      13.7818      0.00000

 k-point   261 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1109      2.00000
      2       1.6735      2.00000
      3       2.7619      2.00000
      4       5.0784      2.00000
      5       6.3887      1.92836
      6       8.4500      0.00000
      7       8.8189      0.00000
      8       9.8591      0.00000
      9      10.6180      0.00000
     10      12.1417      0.00000
     11      12.7382      0.00000
     12      13.5156      0.00000

 k-point   262 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.9620      2.00000
      2       1.8156      2.00000
      3       2.8532      2.00000
      4       4.1230      2.00000
      5       6.5363      1.72034
      6       7.8134      0.00003
      7       8.9219      0.00000
      8       9.7058      0.00000
      9      10.9298      0.00000
     10      12.6579      0.00000
     11      13.2306      0.00000
     12      13.5130      0.00000

 k-point   263 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.7166      2.00000
      2       2.0349      2.00000
      3       2.8153      2.00000
      4       3.4057      2.00000
      5       6.5030      1.79116
      6       7.0022      0.11009
      7       8.1546      0.00000
      8      10.9049      0.00000
      9      11.1920      0.00000
     10      12.0266      0.00000
     11      13.9353      0.00000
     12      14.1909      0.00000

 k-point   264 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.3816      2.00000
      2       1.9822      2.00000
      3       2.5009      2.00000
      4       3.4653      2.00000
      5       5.8311      1.99972
      6       6.7039      1.07025
      7       7.7050      0.00010
      8      10.8225      0.00000
      9      11.5491      0.00000
     10      12.8028      0.00000
     11      14.0709      0.00000
     12      14.5745      0.00000

 k-point   265 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.9778      2.00000
      2       1.2872      2.00000
      3       2.8347      2.00000
      4       3.7347      2.00000
      5       5.0652      2.00000
      6       6.2910      1.97241
      7       7.7325      0.00008
      8      10.2635      0.00000
      9      11.8939      0.00000
     10      13.6999      0.00000
     11      14.3387      0.00000
     12      14.8418      0.00000

 k-point   266 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.5974      2.00000
      2       0.7304      2.00000
      3       3.1884      2.00000
      4       4.0223      2.00000
      5       4.4358      2.00000
      6       5.9555      1.99902
      7       7.8798      0.00002
      8       9.8922      0.00000
      9      12.2010      0.00000
     10      13.3769      0.00000
     11      14.8884      0.00000
     12      15.5501      0.00000

 k-point   267 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.1564      2.00000
      2       0.4097      2.00000
      3       5.7841      1.99982
      4       5.7888      1.99982
      5       7.1191      0.03556
      6       7.5999      0.00030
      7       8.0949      0.00000
      8       8.0994      0.00000
      9       9.3910      0.00000
     10      12.1352      0.00000
     11      14.1995      0.00000
     12      14.3746      0.00000

 k-point   268 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.1059      2.00000
      2       0.4534      2.00000
      3       5.1286      2.00000
      4       5.8327      1.99971
      5       7.0486      0.07072
      6       7.8661      0.00002
      7       8.1436      0.00000
      8       8.1477      0.00000
      9       9.8747      0.00000
     10      12.2930      0.00000
     11      13.0461      0.00000
     12      14.0304      0.00000

 k-point   269 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.9551      2.00000
      2       0.5827      2.00000
      3       4.1059      2.00000
      4       5.9782      1.99877
      5       6.2813      1.97493
      6       7.9702      0.00001
      7       8.2891      0.00000
      8       9.1915      0.00000
      9      10.6628      0.00000
     10      11.9092      0.00000
     11      12.7214      0.00000
     12      13.5466      0.00000

 k-point   270 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.7065      2.00000
      2       0.7896      2.00000
      3       3.1157      2.00000
      4       5.4181      2.00000
      5       6.2191      1.98646
      6       8.1829      0.00000
      7       8.5286      0.00000
      8      10.0843      0.00000
      9      10.8728      0.00000
     10      11.5944      0.00000
     11      12.5507      0.00000
     12      13.3388      0.00000

 k-point   271 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.3663      2.00000
      2       1.0444      2.00000
      3       2.2340      2.00000
      4       4.6128      2.00000
      5       6.5514      1.68199
      6       8.4832      0.00000
      7       8.8535      0.00000
      8       9.9456      0.00000
      9      10.5167      0.00000
     10      11.9120      0.00000
     11      12.4072      0.00000
     12      12.9136      0.00000

 k-point   272 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.9541      2.00000
      2       1.1133      2.00000
      3       1.6963      2.00000
      4       3.9284      2.00000
      5       6.9609      0.16190
      6       8.8383      0.00000
      7       9.0854      0.00000
      8       9.2995      0.00000
      9      10.5653      0.00000
     10      11.5001      0.00000
     11      11.6082      0.00000
     12      13.9482      0.00000

 k-point   273 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.5584      2.00000
      2       0.6819      2.00000
      3       1.8121      2.00000
      4       3.4750      2.00000
      5       7.3716      0.00290
      6       8.5118      0.00000
      7       9.1529      0.00000
      8       9.6292      0.00000
      9      10.3451      0.00000
     10      11.0393      0.00000
     11      11.3821      0.00000
     12      13.9597      0.00000

 k-point   274 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.1060      2.00000
      2       0.4534      2.00000
      3       5.1243      2.00000
      4       5.8374      1.99970
      5       7.0491      0.07037
      6       7.8647      0.00002
      7       8.1457      0.00000
      8       8.1481      0.00000
      9       9.8737      0.00000
     10      12.2919      0.00000
     11      13.0459      0.00000
     12      14.0325      0.00000

 k-point   275 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.0555      2.00000
      2       0.4973      2.00000
      3       5.0853      2.00000
      4       5.2591      2.00000
      5       7.2165      0.01357
      6       7.5731      0.00039
      7       8.1999      0.00000
      8       8.6352      0.00000
      9      10.2668      0.00000
     10      12.1372      0.00000
     11      12.6319      0.00000
     12      14.5249      0.00000

 k-point   276 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9046      2.00000
      2       0.6273      2.00000
      3       4.1425      2.00000
      4       5.2902      2.00000
      5       6.4638      1.85399
      6       7.7074      0.00010
      7       8.5992      0.00000
      8       9.5446      0.00000
      9      10.9621      0.00000
     10      11.2524      0.00000
     11      12.9324      0.00000
     12      13.8469      0.00000

 k-point   277 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6559      2.00000
      2       0.8357      2.00000
      3       3.1575      2.00000
      4       5.2435      2.00000
      5       5.8593      1.99963
      6       7.9497      0.00001
      7       8.8639      0.00000
      8      10.2277      0.00000
      9      10.6325      0.00000
     10      11.7648      0.00000
     11      12.7870      0.00000
     12      13.1814      0.00000

 k-point   278 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.3157      2.00000
      2       1.0933      2.00000
      3       2.2767      2.00000
      4       4.6075      2.00000
      5       6.0025      1.99844
      6       8.2474      0.00000
      7       9.1427      0.00000
      8       9.3995      0.00000
      9      11.2162      0.00000
     10      11.8579      0.00000
     11      12.5452      0.00000
     12      13.1065      0.00000

 k-point   279 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.9030      2.00000
      2       1.1654      2.00000
      3       1.7393      2.00000
      4       3.9451      2.00000
      5       6.3656      1.94272
      6       8.3895      0.00000
      7       8.8068      0.00000
      8       9.5287      0.00000
      9      11.1062      0.00000
     10      11.3653      0.00000
     11      12.1997      0.00000
     12      14.3002      0.00000

 k-point   280 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.5065      2.00000
      2       0.7304      2.00000
      3       1.8623      2.00000
      4       3.4941      2.00000
      5       6.7332      0.92367
      6       7.9423      0.00001
      7       8.9873      0.00000
      8       9.8741      0.00000
      9      10.5198      0.00000
     10      11.2277      0.00000
     11      12.1129      0.00000
     12      14.3668      0.00000

 k-point   281 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.9553      2.00000
      2       0.5825      2.00000
      3       4.1022      2.00000
      4       5.9828      1.99872
      5       6.2792      1.97544
      6       7.9749      0.00001
      7       8.2934      0.00000
      8       9.1884      0.00000
      9      10.6612      0.00000
     10      11.9098      0.00000
     11      12.7188      0.00000
     12      13.5479      0.00000

 k-point   282 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.9047      2.00000
      2       0.6272      2.00000
      3       4.1390      2.00000
      4       5.2939      2.00000
      5       6.4618      1.85671
      6       7.7109      0.00010
      7       8.6041      0.00000
      8       9.5405      0.00000
      9      10.9626      0.00000
     10      11.2523      0.00000
     11      12.9298      0.00000
     12      13.8476      0.00000

 k-point   283 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.7539      2.00000
      2       0.7596      2.00000
      3       4.1335      2.00000
      4       4.4210      2.00000
      5       6.3426      1.95419
      6       7.1077      0.03977
      7       9.6583      0.00000
      8       9.9941      0.00000
      9      10.2444      0.00000
     10      11.7507      0.00000
     11      12.6175      0.00000
     12      13.7251      0.00000

 k-point   284 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.5050      2.00000
      2       0.9725      2.00000
      3       3.2757      2.00000
      4       4.4689      2.00000
      5       5.7113      1.99992
      6       7.0948      0.04513
      7       9.2879      0.00000
      8      10.0839      0.00000
      9      11.1696      0.00000
     10      11.8390      0.00000
     11      12.5602      0.00000
     12      14.1896      0.00000

 k-point   285 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.1643      2.00000
      2       1.2388      2.00000
      3       2.4025      2.00000
      4       4.4566      2.00000
      5       5.2417      2.00000
      6       7.2795      0.00725
      7       8.4587      0.00000
      8      10.3450      0.00000
      9      11.1252      0.00000
     10      12.3210      0.00000
     11      13.3340      0.00000
     12      13.7660      0.00000

 k-point   286 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.7506      2.00000
      2       1.3216      2.00000
      3       1.8662      2.00000
      4       3.9770      2.00000
      5       5.4007      2.00000
      6       7.3244      0.00464
      7       7.9421      0.00001
      8      10.2359      0.00000
      9      10.9717      0.00000
     10      12.6552      0.00000
     11      13.3221      0.00000
     12      14.7116      0.00000

 k-point   287 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.3511      2.00000
      2       0.8746      2.00000
      3       2.0124      2.00000
      4       3.5464      2.00000
      5       5.7014      1.99992
      6       6.9792      0.13663
      7       7.9750      0.00001
      8       9.9093      0.00000
      9      11.2221      0.00000
     10      12.3997      0.00000
     11      13.3765      0.00000
     12      15.3095      0.00000

 k-point   288 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7068      2.00000
      2       0.7891      2.00000
      3       3.1128      2.00000
      4       5.4160      2.00000
      5       6.2235      1.98585
      6       8.1885      0.00000
      7       8.5327      0.00000
      8      10.0854      0.00000
      9      10.8741      0.00000
     10      11.5893      0.00000
     11      12.5530      0.00000
     12      13.3399      0.00000

 k-point   289 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.6562      2.00000
      2       0.8353      2.00000
      3       3.1546      2.00000
      4       5.2438      2.00000
      5       5.8608      1.99962
      6       7.9534      0.00001
      7       8.8697      0.00000
      8      10.2292      0.00000
      9      10.6314      0.00000
     10      11.7622      0.00000
     11      12.7873      0.00000
     12      13.1833      0.00000

 k-point   290 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.5052      2.00000
      2       0.9722      2.00000
      3       3.2730      2.00000
      4       4.4716      2.00000
      5       5.7100      1.99992
      6       7.0972      0.04408
      7       9.2886      0.00000
      8      10.0903      0.00000
      9      11.1639      0.00000
     10      11.8410      0.00000
     11      12.5600      0.00000
     12      14.1890      0.00000

 k-point   291 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.2559      2.00000
      2       1.1937      2.00000
      3       3.3278      2.00000
      4       3.6792      2.00000
      5       5.5601      1.99998
      6       6.4584      1.86112
      7       8.3723      0.00000
      8      10.8389      0.00000
      9      11.3918      0.00000
     10      11.8756      0.00000
     11      13.4327      0.00000
     12      14.8621      0.00000

 k-point   292 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.9144      2.00000
      2       1.4766      2.00000
      3       2.5980      2.00000
      4       3.7805      2.00000
      5       5.0388      2.00000
      6       6.3378      1.95632
      7       7.5746      0.00038
      8      10.1738      0.00000
      9      11.9343      0.00000
     10      13.0892      0.00000
     11      14.1589      0.00000
     12      14.9764      0.00000

 k-point   293 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.4985      2.00000
      2       1.5807      2.00000
      3       2.0689      2.00000
      4       3.8713      2.00000
      5       4.6224      2.00000
      6       6.2915      1.97227
      7       7.0605      0.06299
      8       9.6077      0.00000
      9      12.3277      0.00000
     10      14.0215      0.00000
     11      14.5717      0.00000
     12      15.0985      0.00000

 k-point   294 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.0936      2.00000
      2       1.1110      2.00000
      3       2.2601      2.00000
      4       3.6099      2.00000
      5       4.6981      2.00000
      6       6.0307      1.99793
      7       6.9775      0.13887
      8       9.2723      0.00000
      9      12.6741      0.00000
     10      13.7826      0.00000
     11      14.7768      0.00000
     12      16.3468      0.00000

 k-point   295 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.3670      2.00000
      2       1.0435      2.00000
      3       2.2317      2.00000
      4       4.6112      2.00000
      5       6.5555      1.67087
      6       8.4889      0.00000
      7       8.8573      0.00000
      8       9.9476      0.00000
      9      10.5210      0.00000
     10      11.9152      0.00000
     11      12.4090      0.00000
     12      12.9060      0.00000

 k-point   296 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.3163      2.00000
      2       1.0924      2.00000
      3       2.2745      2.00000
      4       4.6061      2.00000
      5       6.0060      1.99838
      6       8.2509      0.00000
      7       9.1484      0.00000
      8       9.4018      0.00000
      9      11.2204      0.00000
     10      11.8594      0.00000
     11      12.5471      0.00000
     12      13.1006      0.00000

 k-point   297 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.1648      2.00000
      2       1.2381      2.00000
      3       2.4004      2.00000
      4       4.4570      2.00000
      5       5.2429      2.00000
      6       7.2821      0.00707
      7       8.4601      0.00000
      8      10.3511      0.00000
      9      11.1269      0.00000
     10      12.3221      0.00000
     11      13.3301      0.00000
     12      13.7695      0.00000

 k-point   298 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.9147      2.00000
      2       1.4761      2.00000
      3       2.5962      2.00000
      4       3.7824      2.00000
      5       5.0380      2.00000
      6       6.3394      1.95562
      7       7.5752      0.00038
      8      10.1746      0.00000
      9      11.9412      0.00000
     10      13.0835      0.00000
     11      14.1612      0.00000
     12      14.9804      0.00000

 k-point   299 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.5714      2.00000
      2       1.7902      2.00000
      3       2.7115      2.00000
      4       3.1008      2.00000
      5       4.9588      2.00000
      6       5.5947      1.99997
      7       6.8078      0.57868
      8       9.5150      0.00000
      9      13.2849      0.00000
     10      13.6869      0.00000
     11      15.1890      0.00000
     12      15.9773      0.00000

 k-point   300 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.1516      2.00000
      2       1.9388      2.00000
      3       2.3222      2.00000
      4       3.2580      2.00000
      5       4.4614      2.00000
      6       5.3393      2.00000
      7       6.2660      1.97844
      8       9.0005      0.00000
      9      13.8468      0.00000
     10      15.0524      0.00000
     11      15.6270      0.00000
     12      16.1028      0.00000

 k-point   301 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1       0.2628      2.00000
      2       1.4297      2.00000
      3       2.5988      2.00000
      4       3.5239      2.00000
      5       3.9145      2.00000
      6       5.1920      2.00000
      7       6.0586      1.99726
      8       8.7118      0.00000
      9      14.2146      0.00000
     10      15.2331      0.00000
     11      16.2050      0.00000
     12      16.7078      0.00000

 k-point   302 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.7391      2.00000
      2      -0.2219      2.00000
      3       6.2856      1.97384
      4       6.2904      1.97258
      5       7.3719      0.00289
      6       7.3763      0.00276
      7       7.6709      0.00015
      8       7.6763      0.00014
      9       8.6362      0.00000
     10      11.9375      0.00000
     11      14.5418      0.00000
     12      14.8577      0.00000

 k-point   303 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6868      2.00000
      2      -0.1795      2.00000
      3       5.6025      1.99997
      4       6.3339      1.95793
      5       6.6370      1.38383
      6       7.4210      0.00177
      7       7.9710      0.00001
      8       8.3728      0.00000
      9       9.1547      0.00000
     10      12.0847      0.00000
     11      13.4695      0.00000
     12      14.5298      0.00000

 k-point   304 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.5304      2.00000
      2      -0.0537      2.00000
      3       4.5469      2.00000
      4       5.7121      1.99991
      5       6.4785      1.83277
      6       7.5677      0.00041
      7       8.1931      0.00000
      8       9.2236      0.00000
      9      10.2870      0.00000
     10      12.3436      0.00000
     11      12.5429      0.00000
     12      13.8107      0.00000

 k-point   305 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.2713      2.00000
      2       0.1496      2.00000
      3       3.5189      2.00000
      4       4.8325      2.00000
      5       6.7182      0.99892
      6       7.8095      0.00004
      7       8.4625      0.00000
      8       9.7857      0.00000
      9      11.3147      0.00000
     10      11.6835      0.00000
     11      12.6746      0.00000
     12      12.8683      0.00000

 k-point   306 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.9134      2.00000
      2       0.4162      2.00000
      3       2.5720      2.00000
      4       4.0451      2.00000
      5       7.0492      0.07029
      6       8.1392      0.00000
      7       8.8164      0.00000
      8      10.1156      0.00000
      9      10.3904      0.00000
     10      11.7343      0.00000
     11      12.0759      0.00000
     12      13.2092      0.00000

 k-point   307 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.4685      2.00000
      2       0.7085      2.00000
      3       1.7328      2.00000
      4       3.3985      2.00000
      5       7.4589      0.00121
      6       8.5341      0.00000
      7       9.2502      0.00000
      8       9.5851      0.00000
      9      10.3030      0.00000
     10      10.9306      0.00000
     11      11.3166      0.00000
     12      13.8521      0.00000

 k-point   308 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.0030      2.00000
      2       0.9003      2.00000
      3       1.1043      2.00000
      4       2.9935      2.00000
      5       7.8759      0.00002
      6       8.8891      0.00000
      7       8.9782      0.00000
      8       9.7028      0.00000
      9      10.3628      0.00000
     10      10.3846      0.00000
     11      10.7011      0.00000
     12      13.7947      0.00000

 k-point   309 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.6868      2.00000
      2      -0.1795      2.00000
      3       5.5981      1.99997
      4       6.3386      1.95594
      5       6.6341      1.39644
      6       7.4254      0.00169
      7       7.9760      0.00001
      8       8.3702      0.00000
      9       9.1512      0.00000
     10      12.0838      0.00000
     11      13.4694      0.00000
     12      14.5323      0.00000

 k-point   310 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.6346      2.00000
      2      -0.1369      2.00000
      3       5.6173      1.99997
      4       5.6593      1.99995
      5       6.4900      1.81436
      6       7.1226      0.03436
      7       8.6080      0.00000
      8       8.7325      0.00000
      9       9.4690      0.00000
     10      12.1708      0.00000
     11      12.7544      0.00000
     12      14.2453      0.00000

 k-point   311 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.4782      2.00000
      2      -0.0104      2.00000
      3       4.5918      2.00000
      4       5.5733      1.99998
      5       5.9443      1.99913
      6       7.1414      0.02856
      7       8.9319      0.00000
      8       9.6732      0.00000
      9      10.4033      0.00000
     10      11.6531      0.00000
     11      12.4772      0.00000
     12      13.4729      0.00000

 k-point   312 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2193      2.00000
      2       0.1941      2.00000
      3       3.5669      2.00000
      4       4.8256      2.00000
      5       6.0885      1.99631
      6       7.3397      0.00398
      7       9.2066      0.00000
      8      10.2926      0.00000
      9      10.6913      0.00000
     10      11.7166      0.00000
     11      12.1478      0.00000
     12      13.4996      0.00000

 k-point   313 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.8615      2.00000
      2       0.4627      2.00000
      3       2.6213      2.00000
      4       4.0590      2.00000
      5       6.4126      1.90985
      6       7.6224      0.00024
      7       9.5371      0.00000
      8       9.7511      0.00000
      9      10.6509      0.00000
     10      11.4107      0.00000
     11      12.7993      0.00000
     12      13.2953      0.00000

 k-point   314 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.4167      2.00000
      2       0.7579      2.00000
      3       1.7829      2.00000
      4       3.4177      2.00000
      5       6.8239      0.51475
      6       7.9448      0.00001
      7       8.9383      0.00000
      8       9.9546      0.00000
      9      10.4902      0.00000
     10      11.1337      0.00000
     11      12.0601      0.00000
     12      14.2433      0.00000

 k-point   315 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1       0.0487      2.00000
      2       0.9528      2.00000
      3       1.1550      2.00000
      4       3.0122      2.00000
      5       7.2470      0.01003
      6       8.1868      0.00000
      7       8.3419      0.00000
      8      10.0336      0.00000
      9      10.4589      0.00000
     10      11.1785      0.00000
     11      11.4611      0.00000
     12      14.1563      0.00000

 k-point   316 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.5305      2.00000
      2      -0.0539      2.00000
      3       4.5431      2.00000
      4       5.7095      1.99992
      5       6.4831      1.82559
      6       7.5720      0.00039
      7       8.1993      0.00000
      8       9.2240      0.00000
      9      10.2805      0.00000
     10      12.3443      0.00000
     11      12.5399      0.00000
     12      13.7241      0.00000

 k-point   317 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4783      2.00000
      2      -0.0106      2.00000
      3       4.5881      2.00000
      4       5.5733      1.99998
      5       5.9464      1.99911
      6       7.1444      0.02772
      7       8.9382      0.00000
      8       9.6726      0.00000
      9      10.3983      0.00000
     10      11.6535      0.00000
     11      12.4754      0.00000
     12      13.4725      0.00000

 k-point   318 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.3222      2.00000
      2       0.1179      2.00000
      3       4.6927      2.00000
      4       4.7343      2.00000
      5       5.5317      1.99999
      6       6.6572      1.29494
      7      10.1188      0.00000
      8      10.2525      0.00000
      9      10.6506      0.00000
     10      10.9561      0.00000
     11      11.9507      0.00000
     12      13.5190      0.00000

 k-point   319 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.0635      2.00000
      2       0.3262      2.00000
      3       3.7084      2.00000
      4       4.6942      2.00000
      5       5.1612      2.00000
      6       6.5895      1.56654
      7       9.6285      0.00000
      8      10.4948      0.00000
      9      11.1538      0.00000
     10      11.3879      0.00000
     11      12.0243      0.00000
     12      14.0700      0.00000

 k-point   320 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.7062      2.00000
      2       0.6008      2.00000
      3       2.7684      2.00000
      4       4.0849      2.00000
      5       5.3920      2.00000
      6       6.7455      0.86294
      7       8.7237      0.00000
      8      10.3891      0.00000
      9      10.9360      0.00000
     10      11.9895      0.00000
     11      13.4520      0.00000
     12      14.0602      0.00000

 k-point   321 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.2618      2.00000
      2       0.9053      2.00000
      3       1.9323      2.00000
      4       3.4706      2.00000
      5       5.7947      1.99980
      6       6.9634      0.15816
      7       7.9231      0.00001
      8       9.8421      0.00000
      9      11.3220      0.00000
     10      12.3330      0.00000
     11      13.3302      0.00000
     12      14.9923      0.00000

 k-point   322 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1       0.2036      2.00000
      2       1.1102      2.00000
      3       1.3063      2.00000
      4       3.0658      2.00000
      5       6.2175      1.98668
      6       7.1169      0.03636
      7       7.3186      0.00491
      8       9.4981      0.00000
      9      11.7434      0.00000
     10      12.4999      0.00000
     11      12.7482      0.00000
     12      15.0399      0.00000

 k-point   323 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2717      2.00000
      2       0.1492      2.00000
      3       3.5156      2.00000
      4       4.8304      2.00000
      5       6.7226      0.97690
      6       7.8136      0.00003
      7       8.4687      0.00000
      8       9.7886      0.00000
      9      11.3160      0.00000
     10      11.6754      0.00000
     11      12.6757      0.00000
     12      12.8706      0.00000

 k-point   324 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2196      2.00000
      2       0.1937      2.00000
      3       3.5637      2.00000
      4       4.8237      2.00000
      5       6.0926      1.99616
      6       7.3431      0.00385
      7       9.2131      0.00000
      8      10.2958      0.00000
      9      10.6925      0.00000
     10      11.7094      0.00000
     11      12.1471      0.00000
     12      13.4994      0.00000

 k-point   325 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.0637      2.00000
      2       0.3260      2.00000
      3       3.7053      2.00000
      4       4.6943      2.00000
      5       5.1633      2.00000
      6       6.5915      1.55975
      7       9.6292      0.00000
      8      10.5016      0.00000
      9      11.1567      0.00000
     10      11.3856      0.00000
     11      12.0185      0.00000
     12      14.0668      0.00000

 k-point   326 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.8056      2.00000
      2       0.5410      2.00000
      3       3.9130      2.00000
      4       3.9369      2.00000
      5       4.7344      2.00000
      6       6.0587      1.99726
      7       8.6418      0.00000
      8      10.4100      0.00000
      9      11.9495      0.00000
     10      11.9822      0.00000
     11      12.6687      0.00000
     12      14.6028      0.00000

 k-point   327 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.4488      2.00000
      2       0.8262      2.00000
      3       3.0086      2.00000
      4       4.0004      2.00000
      5       4.4835      2.00000
      6       5.9239      1.99929
      7       7.7293      0.00008
      8       9.7346      0.00000
      9      12.3550      0.00000
     10      13.1515      0.00000
     11      13.7638      0.00000
     12      15.3424      0.00000

 k-point   328 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.0051      2.00000
      2       1.1476      2.00000
      3       2.1786      2.00000
      4       3.5379      2.00000
      5       4.7923      2.00000
      6       5.9976      1.99851
      7       6.9245      0.22508
      8       9.2094      0.00000
      9      12.7764      0.00000
     10      13.6996      0.00000
     11      14.7308      0.00000
     12      15.3048      0.00000

 k-point   329 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.4603      2.00000
      2       1.3717      2.00000
      3       1.5561      2.00000
      4       3.1458      2.00000
      5       5.2024      2.00000
      6       6.0800      1.99661
      7       6.3114      1.96627
      8       8.9121      0.00000
      9      13.2006      0.00000
     10      13.9430      0.00000
     11      14.1775      0.00000
     12      16.1916      0.00000

 k-point   330 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.9140      2.00000
      2       0.4155      2.00000
      3       2.5693      2.00000
      4       4.0436      2.00000
      5       7.0533      0.06754
      6       8.1430      0.00000
      7       8.8226      0.00000
      8      10.1199      0.00000
      9      10.3925      0.00000
     10      11.7361      0.00000
     11      12.0799      0.00000
     12      13.2004      0.00000

 k-point   331 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.8621      2.00000
      2       0.4619      2.00000
      3       2.6187      2.00000
      4       4.0576      2.00000
      5       6.4165      1.90645
      6       7.6257      0.00023
      7       9.5431      0.00000
      8       9.7534      0.00000
      9      10.6555      0.00000
     10      11.4121      0.00000
     11      12.8033      0.00000
     12      13.2864      0.00000

 k-point   332 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.7066      2.00000
      2       0.6002      2.00000
      3       2.7659      2.00000
      4       4.0838      2.00000
      5       5.3952      2.00000
      6       6.7479      0.85127
      7       8.7250      0.00000
      8      10.3913      0.00000
      9      10.9425      0.00000
     10      11.9933      0.00000
     11      13.4432      0.00000
     12      14.0647      0.00000

 k-point   333 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.4491      2.00000
      2       0.8259      2.00000
      3       3.0064      2.00000
      4       4.0007      2.00000
      5       4.4851      2.00000
      6       5.9252      1.99928
      7       7.7300      0.00008
      8       9.7352      0.00000
      9      12.3627      0.00000
     10      13.1530      0.00000
     11      13.7571      0.00000
     12      15.3462      0.00000

 k-point   334 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.0932      2.00000
      2       1.1283      2.00000
      3       3.3194      2.00000
      4       3.3238      2.00000
      5       4.1278      2.00000
      6       5.3448      2.00000
      7       6.8135      0.55549
      8       9.1191      0.00000
      9      13.8580      0.00000
     10      13.9132      0.00000
     11      14.5243      0.00000
     12      16.0538      0.00000

 k-point   335 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.3498      2.00000
      2       1.4771      2.00000
      3       2.5145      2.00000
      4       3.5077      2.00000
      5       3.9640      2.00000
      6       5.1334      2.00000
      7       6.0058      1.99839
      8       8.6550      0.00000
      9      14.3238      0.00000
     10      15.0684      0.00000
     11      15.6561      0.00000
     12      16.1630      0.00000

 k-point   336 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.8156      2.00000
      2       1.7360      2.00000
      3       1.8980      2.00000
      4       3.2354      2.00000
      5       4.2704      2.00000
      6       5.1234      2.00000
      7       5.3831      2.00000
      8       8.4017      0.00000
      9      14.7424      0.00000
     10      15.4360      0.00000
     11      15.6731      0.00000
     12      17.2221      0.00000

 k-point   337 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.4694      2.00000
      2       0.7073      2.00000
      3       1.7308      2.00000
      4       3.3977      2.00000
      5       7.4627      0.00117
      6       8.5375      0.00000
      7       9.2561      0.00000
      8       9.5878      0.00000
      9      10.3079      0.00000
     10      10.9332      0.00000
     11      11.3213      0.00000
     12      13.8545      0.00000

 k-point   338 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.4176      2.00000
      2       0.7567      2.00000
      3       1.7809      2.00000
      4       3.4169      2.00000
      5       6.8274      0.50136
      6       7.9478      0.00001
      7       8.9408      0.00000
      8       9.9605      0.00000
      9      10.4935      0.00000
     10      11.1381      0.00000
     11      12.0650      0.00000
     12      14.2457      0.00000

 k-point   339 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.2626      2.00000
      2       0.9042      2.00000
      3       1.9305      2.00000
      4       3.4700      2.00000
      5       5.7976      1.99980
      6       6.9658      0.15482
      7       7.9249      0.00001
      8       9.8441      0.00000
      9      11.3287      0.00000
     10      12.3384      0.00000
     11      13.3358      0.00000
     12      14.9856      0.00000

 k-point   340 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.0057      2.00000
      2       1.1468      2.00000
      3       2.1769      2.00000
      4       3.5375      2.00000
      5       4.7945      2.00000
      6       5.9992      1.99849
      7       6.9257      0.22267
      8       9.2105      0.00000
      9      12.7840      0.00000
     10      13.7052      0.00000
     11      14.7369      0.00000
     12      15.2951      0.00000

 k-point   341 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.3495      2.00000
      2       1.4766      2.00000
      3       2.5131      2.00000
      4       3.5080      2.00000
      5       3.9651      2.00000
      6       5.1342      2.00000
      7       6.0063      1.99838
      8       8.6555      0.00000
      9      14.3321      0.00000
     10      15.0722      0.00000
     11      15.6481      0.00000
     12      16.1689      0.00000

 k-point   342 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.7920      2.00000
      2       1.8706      2.00000
      3       2.9096      2.00000
      4       2.9209      2.00000
      5       3.7207      2.00000
      6       4.4759      2.00000
      7       5.1966      2.00000
      8       8.2460      0.00000
      9      15.8061      0.00000
     10      16.0317      0.00000
     11      16.4170      0.00000
     12      17.2243      0.00000

 k-point   343 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       1.2594      2.00000
      2       2.1990      2.00000
      3       2.3118      2.00000
      4       3.2420      2.00000
      5       3.5269      2.00000
      6       4.2620      2.00000
      7       4.5604      2.00000
      8       8.0270      0.00000
      9      16.3069      0.00000
     10      16.8953      0.00000
     11      17.1592      0.00000
     12      17.6163      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.189   5.267  -0.000  -0.000   0.000
  5.267  22.337  -0.000  -0.000   0.000
 -0.000  -0.000  -0.265   0.000   0.000
 -0.000  -0.000   0.000  -0.265   0.000
  0.000   0.000   0.000   0.000  -0.265
 total augmentation occupancy for first ion, spin component:           1
  1.153  -0.024   0.000   0.000   0.000
 -0.024   0.001   0.000   0.000   0.000
  0.000   0.000   0.101   0.000   0.000
  0.000   0.000   0.000   0.106   0.000
  0.000   0.000   0.000   0.000   0.101


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1720: real time    0.1720
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3403: real time    0.3403
    STRESS:  cpu time    4.1280: real time    4.1320
    FORCOR:  cpu time    0.0468: real time    0.0468
    FORHAR:  cpu time    0.0129: real time    0.0129
    MIXING:  cpu time    0.0057: real time    0.0057
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11919    -0.11919    -0.11919
  Ewald     -74.03356   -74.04673   -72.69869     0.00000    -0.00000     0.00000
  Hartree     0.91260     0.90889     1.46525    -0.00000    -0.00000    -0.00000
  E(xc)     -27.86659   -27.86620   -27.87381    -0.00000     0.00000     0.00000
  Local      -2.92624    -2.91150    -4.27431     0.00000    -0.00000    -0.00000
  n-local    59.90976    59.90579    59.91608     0.29528     0.33387     0.33449
  augment    -2.96818    -2.96788    -2.98802    -0.00000     0.00000     0.00000
  Kinetic    47.91799    47.91022    49.31104    -3.20870    -3.92597    -3.93103
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.82659     0.81342     2.73836     0.00000     0.00000    -0.00000
  in kB      21.35651    21.01622    70.75086     0.00000     0.00000    -0.00000
  external pressure =       37.71 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       62.01
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  3.825490533     0.000000000  0.000000000  0.261404385

  length of vectors
     4.025488200  4.026832140  3.825490533     0.248417074  0.248334166  0.261404385


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.740E-15 -.462E-16 -.144E-15   -.136E-15 -.194E-15 -.190E-15   0.549E-27 0.841E-26 0.254E-25   -.459E-17 -.648E-17 -.194E-17
   -.274E-14 -.233E-13 0.247E-13   -.385E-16 0.461E-15 -.380E-15   -.111E-25 0.153E-25 0.264E-24   0.366E-16 0.160E-16 0.291E-17
   -.258E-14 0.429E-15 -.748E-13   -.748E-15 -.977E-15 0.500E-16   0.105E-24 -.918E-26 -.218E-24   0.885E-16 0.286E-17 -.583E-17
   0.225E-14 -.284E-14 -.372E-14   0.954E-15 0.541E-15 0.475E-15   -.701E-25 -.571E-24 -.161E-24   -.366E-16 0.888E-16 0.161E-16
 -----------------------------------------------------------------------------------------------
   -.234E-14 -.257E-13 -.540E-13   0.310E-16 -.169E-15 -.449E-16   0.246E-25 -.556E-24 -.905E-25   0.840E-16 0.101E-15 0.113E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000     -0.000000
      2.01274      2.01342      0.00000        -0.000000      0.000000     -0.000000
      2.01274      0.00000      1.91275        -0.000000     -0.000000      0.000000
      0.00000      2.01342      1.91275         0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.48331501 eV

  energy  without entropy=      -13.44209580  energy(sigma->0) =      -13.46270540
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.1290111E-01 0.129E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.7246431E+01-0.725E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0587: real time    0.0587


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   3/ 13
  Displacement:        2/  2
  Total:               6/ 26
  LATTYP: Found a simple monoclinic cell.
 ALAT       =     5.8379311619
 B/A-ratio  =     0.6897704047
 C/A-ratio  =     1.5740157186
 COS(beta)  =    -0.9532532300
  
  Lattice vectors:
  
 A1 = (  -4.0254882003,  -4.2281065503,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (   8.0509764006,   4.4293809603,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    595 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      2.000000
  0.153846  0.076923  0.000000      2.000000
  0.230769  0.076923  0.000000      2.000000
  0.307692  0.076923  0.000000      2.000000
  0.384615  0.076923  0.000000      2.000000
  0.461538  0.076923  0.000000      2.000000
 -0.461538  0.076923  0.000000      2.000000
 -0.384615  0.076923  0.000000      2.000000
 -0.307692  0.076923  0.000000      2.000000
 -0.230769  0.076923  0.000000      2.000000
 -0.153846  0.076923  0.000000      2.000000
 -0.076923  0.076923  0.000000      2.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846  0.000000      2.000000
  0.153846  0.153846  0.000000      2.000000
  0.230769  0.153846  0.000000      2.000000
  0.307692  0.153846  0.000000      2.000000
  0.384615  0.153846  0.000000      2.000000
  0.461538  0.153846  0.000000      2.000000
 -0.461538  0.153846  0.000000      2.000000
 -0.384615  0.153846  0.000000      2.000000
 -0.307692  0.153846  0.000000      2.000000
 -0.230769  0.153846  0.000000      2.000000
 -0.153846  0.153846  0.000000      2.000000
 -0.076923  0.153846  0.000000      2.000000
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  0.113699  0.019103  0.114616      4.000000
 -0.115609  0.019103  0.114616      4.000000
 -0.096500  0.019103  0.114616      4.000000
 -0.077391  0.019103  0.114616      4.000000
 -0.058282  0.019103  0.114616      4.000000
 -0.039173  0.019103  0.114616      4.000000
 -0.020064  0.019103  0.114616      4.000000
 -0.001910  0.038205  0.114616      4.000000
  0.017199  0.038205  0.114616      4.000000
  0.036308  0.038205  0.114616      4.000000
  0.055417  0.038205  0.114616      4.000000
  0.074526  0.038205  0.114616      4.000000
  0.093635  0.038205  0.114616      4.000000
  0.112744  0.038205  0.114616      4.000000
 -0.116564  0.038205  0.114616      4.000000
 -0.097455  0.038205  0.114616      4.000000
 -0.078346  0.038205  0.114616      4.000000
 -0.059237  0.038205  0.114616      4.000000
 -0.040128  0.038205  0.114616      4.000000
 -0.021019  0.038205  0.114616      4.000000
 -0.002865  0.057308  0.114616      4.000000
  0.016244  0.057308  0.114616      4.000000
  0.035353  0.057308  0.114616      4.000000
  0.054462  0.057308  0.114616      4.000000
  0.073571  0.057308  0.114616      4.000000
  0.092680  0.057308  0.114616      4.000000
  0.111789  0.057308  0.114616      4.000000
 -0.117519  0.057308  0.114616      4.000000
 -0.098410  0.057308  0.114616      4.000000
 -0.079301  0.057308  0.114616      4.000000
 -0.060192  0.057308  0.114616      4.000000
 -0.041083  0.057308  0.114616      4.000000
 -0.021974  0.057308  0.114616      4.000000
 -0.003821  0.076411  0.114616      4.000000
  0.015288  0.076411  0.114616      4.000000
  0.034397  0.076411  0.114616      4.000000
  0.053506  0.076411  0.114616      4.000000
  0.072615  0.076411  0.114616      4.000000
  0.091725  0.076411  0.114616      4.000000
  0.110834  0.076411  0.114616      4.000000
 -0.118475  0.076411  0.114616      4.000000
 -0.099366  0.076411  0.114616      4.000000
 -0.080257  0.076411  0.114616      4.000000
 -0.061148  0.076411  0.114616      4.000000
 -0.042039  0.076411  0.114616      4.000000
 -0.022930  0.076411  0.114616      4.000000
 -0.004776  0.095513  0.114616      4.000000
  0.014333  0.095513  0.114616      4.000000
  0.033442  0.095513  0.114616      4.000000
  0.052551  0.095513  0.114616      4.000000
  0.071660  0.095513  0.114616      4.000000
  0.090769  0.095513  0.114616      4.000000
  0.109878  0.095513  0.114616      4.000000
 -0.119430  0.095513  0.114616      4.000000
 -0.100321  0.095513  0.114616      4.000000
 -0.081212  0.095513  0.114616      4.000000
 -0.062103  0.095513  0.114616      4.000000
 -0.042994  0.095513  0.114616      4.000000
 -0.023885  0.095513  0.114616      4.000000
 -0.005731  0.114616  0.114616      4.000000
  0.013378  0.114616  0.114616      4.000000
  0.032487  0.114616  0.114616      4.000000
  0.051596  0.114616  0.114616      4.000000
  0.070705  0.114616  0.114616      4.000000
  0.089814  0.114616  0.114616      4.000000
  0.108923  0.114616  0.114616      4.000000
 -0.120385  0.114616  0.114616      4.000000
 -0.101276  0.114616  0.114616      4.000000
 -0.082167  0.114616  0.114616      4.000000
 -0.063058  0.114616  0.114616      4.000000
 -0.043949  0.114616  0.114616      4.000000
 -0.024840  0.114616  0.114616      4.000000
 
    WAVPRE:  cpu time    0.6831: real time    0.7111
    FEWALD:  cpu time    0.0030: real time    0.0030
    GENKIN:  cpu time    0.1205: real time    0.1206
    ORTHCH:  cpu time    3.8903: real time    3.8932
     LOOP+:  cpu time  160.8848: real time  161.2220


--------------------------------------- Iteration      8(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0503: real time    0.0512
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   43.2100: real time   43.2314
       DOS:  cpu time    0.0215: real time    0.0215
    CHARGE:  cpu time    0.2870: real time    0.2871
    MIXING:  cpu time    0.0027: real time    0.0027
    --------------------------------------------
      LOOP:  cpu time   43.5753: real time   43.5976

 eigenvalue-minimisations  : 17984
 total energy-change (2. order) :-0.7114400E-01  (-0.1699011E+00)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1090848 magnetization 

 Broyden mixing:
  rms(total) = 0.76803E-01    rms(broyden)= 0.76803E-01
  rms(prec ) = 0.21207E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.21294827
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.76506365
  PAW double counting   =       465.26505438     -363.94908561
  entropy T*S    EENTRO =        -0.04222733
  eigenvalues    EBANDS =        22.35921569
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55446717 eV

  energy without entropy =      -13.51223984  energy(sigma->0) =      -13.53335351


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0508: real time    0.0512
    SETDIJ:  cpu time    0.0042: real time    0.0042
     EDDAV:  cpu time   42.2779: real time   42.2969
       DOS:  cpu time    0.0204: real time    0.0204
    CHARGE:  cpu time    0.2881: real time    0.2880
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   42.6458: real time   42.6651

 eigenvalue-minimisations  : 16700
 total energy-change (2. order) : 0.1657543E-01  (-0.5660327E-02)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1075343 magnetization 

 Broyden mixing:
  rms(total) = 0.37622E-01    rms(broyden)= 0.37622E-01
  rms(prec ) = 0.10505E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3630
  1.3630

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.29981682
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.77766555
  PAW double counting   =       438.20154400     -336.87575762
  entropy T*S    EENTRO =        -0.04243599
  eigenvalues    EBANDS =        22.46565263
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53789174 eV

  energy without entropy =      -13.49545576  energy(sigma->0) =      -13.51667375


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0522: real time    0.0526
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   43.7527: real time   43.7740
       DOS:  cpu time    0.0187: real time    0.0187
    CHARGE:  cpu time    0.2856: real time    0.2857
    MIXING:  cpu time    0.0045: real time    0.0045
    --------------------------------------------
      LOOP:  cpu time   44.1171: real time   44.1387

 eigenvalue-minimisations  : 17592
 total energy-change (2. order) : 0.5625566E-02  (-0.1353065E-02)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1065707 magnetization 

 Broyden mixing:
  rms(total) = 0.13173E-01    rms(broyden)= 0.13173E-01
  rms(prec ) = 0.28188E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6746
  1.3171  2.0320

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.38396557
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.79072391
  PAW double counting   =       421.75482895     -320.41720012
  entropy T*S    EENTRO =        -0.04253470
  eigenvalues    EBANDS =        22.55674156
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53226618 eV

  energy without entropy =      -13.48973147  energy(sigma->0) =      -13.51099883


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0499: real time    0.0502
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   43.1365: real time   43.1535
       DOS:  cpu time    0.0192: real time    0.0192
    CHARGE:  cpu time    0.2854: real time    0.2855
    MIXING:  cpu time    0.0048: real time    0.0048
    --------------------------------------------
      LOOP:  cpu time   43.4997: real time   43.5170

 eigenvalue-minimisations  : 16960
 total energy-change (2. order) : 0.2956863E-03  (-0.1190187E-03)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1062053 magnetization 

 Broyden mixing:
  rms(total) = 0.74659E-02    rms(broyden)= 0.74659E-02
  rms(prec ) = 0.95529E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1309
  2.0252  1.3203  0.0472

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.39979906
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.79736204
  PAW double counting   =       422.21540927     -320.87208927
  entropy T*S    EENTRO =        -0.04250781
  eigenvalues    EBANDS =        22.57379080
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53197049 eV

  energy without entropy =      -13.48946268  energy(sigma->0) =      -13.51071658


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0525: real time    0.0529
    SETDIJ:  cpu time    0.0043: real time    0.0043
     EDDAV:  cpu time   44.5268: real time   44.5488
       DOS:  cpu time    0.0174: real time    0.0174
    CHARGE:  cpu time    0.2863: real time    0.2864
    MIXING:  cpu time    0.0068: real time    0.0068
    --------------------------------------------
      LOOP:  cpu time   44.8941: real time   44.9165

 eigenvalue-minimisations  : 17900
 total energy-change (2. order) : 0.1377259E-04  (-0.3229769E-05)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060992 magnetization 

 Broyden mixing:
  rms(total) = 0.54289E-02    rms(broyden)= 0.54289E-02
  rms(prec ) = 0.59700E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8349
  1.2114  1.2590  2.4346  2.4346

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.40186432
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.79917676
  PAW double counting   =       424.27397388     -322.92928046
  entropy T*S    EENTRO =        -0.04250583
  eigenvalues    EBANDS =        22.57630916
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53195672 eV

  energy without entropy =      -13.48945089  energy(sigma->0) =      -13.51070380


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0515: real time    0.0518
    SETDIJ:  cpu time    0.0042: real time    0.0042
     EDDAV:  cpu time   41.0062: real time   41.0272
       DOS:  cpu time    0.0169: real time    0.0169
    --------------------------------------------
      LOOP:  cpu time   41.0789: real time   41.1001

 eigenvalue-minimisations  : 16684
 total energy-change (2. order) : 0.3510704E-05  (-0.4463590E-06)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060992 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.40062218
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80087942
  PAW double counting   =       428.91686486     -327.57110455
  entropy T*S    EENTRO =        -0.04250491
  eigenvalues    EBANDS =        22.57570538
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53195321 eV

  energy without entropy =      -13.48944830  energy(sigma->0) =      -13.51070075


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2434       2 -74.2424       3 -74.2389       4 -74.2400
 
 
 
 E-fermi :   6.2615     XC(G=0):  -9.5660     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6254      2.00000
      2       4.2586      2.00000
      3       4.3281      2.00000
      4       4.4093      2.00000
      5       5.5474      1.99842
      6       5.5667      1.99808
      7       7.6088      0.00000
      8      11.8885      0.00000
      9      12.5247      0.00000
     10      12.6940      0.00000
     11      12.7403      0.00000
     12      12.8179      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6341      2.00000
      3       4.3771      2.00000
      4       4.3943      2.00000
      5       5.6128      1.99696
      6       6.1605      1.46613
      7       7.8065      0.00000
      8      11.2021      0.00000
      9      11.5743      0.00000
     10      12.3815      0.00000
     11      12.8637      0.00000
     12      12.9815      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4289      2.00000
      2       2.6099      2.00000
      3       4.5239      2.00000
      4       4.5309      2.00000
      5       5.7756      1.98461
      6       6.7683      0.01252
      7       8.5699      0.00000
      8      10.1930      0.00000
      9      10.4571      0.00000
     10      11.6020      0.00000
     11      12.8805      0.00000
     12      12.9564      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1873      2.00000
      2       1.6177      2.00000
      3       4.7628      2.00000
      4       4.7672      2.00000
      5       6.0446      1.79487
      6       7.0543      0.00072
      7       9.2068      0.00000
      8       9.4208      0.00000
      9       9.8497      0.00000
     10      10.7005      0.00000
     11      12.3898      0.00000
     12      13.1328      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8592      2.00000
      2       0.7140      2.00000
      3       5.0852      1.99998
      4       5.1035      1.99998
      5       6.4155      0.35301
      6       7.2252      0.00013
      7       8.3344      0.00000
      8       8.4858      0.00000
      9       9.8047      0.00000
     10      11.2440      0.00000
     11      12.0433      0.00000
     12      13.3929      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4696      2.00000
      2      -0.0631      2.00000
      3       5.4875      1.99913
      4       5.5201      1.99880
      5       6.8679      0.00464
      6       7.3036      0.00006
      7       7.6207      0.00000
      8       7.6688      0.00000
      9       8.9733      0.00000
     10      11.4692      0.00000
     11      13.0980      0.00000
     12      13.7187      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1184      2.00000
      2      -0.6090      2.00000
      3       5.9094      1.94259
      4       5.9458      1.91835
      5       6.8412      0.00605
      6       7.0427      0.00081
      7       7.4196      0.00002
      8       7.5321      0.00001
      9       8.2482      0.00000
     10      11.3112      0.00000
     11      14.0326      0.00000
     12      14.4283      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5759      2.00000
      2       3.6458      2.00000
      3       4.3772      2.00000
      4       4.3814      2.00000
      5       5.6026      1.99725
      6       6.1681      1.43594
      7       7.8108      0.00000
      8      11.2014      0.00000
      9      11.5855      0.00000
     10      12.3861      0.00000
     11      12.8530      0.00000
     12      12.9707      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5312      2.00000
      2       3.6763      2.00000
      3       3.8177      2.00000
      4       4.4214      2.00000
      5       5.9021      1.94650
      6       6.4802      0.20181
      7       7.9261      0.00000
      8      10.2622      0.00000
      9      11.5731      0.00000
     10      11.8740      0.00000
     11      12.5597      0.00000
     12      12.8955      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3885      2.00000
      2       2.7044      2.00000
      3       3.9599      2.00000
      4       4.5634      2.00000
      5       6.1008      1.66607
      6       7.0862      0.00052
      7       8.5311      0.00000
      8       9.3330      0.00000
      9      10.5580      0.00000
     10      11.9520      0.00000
     11      12.0078      0.00000
     12      12.9790      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1510      2.00000
      2       1.7100      2.00000
      3       4.2416      2.00000
      4       4.8020      2.00000
      5       6.3320      0.66161
      6       7.3387      0.00004
      7       8.3567      0.00000
      8       9.5184      0.00000
      9       9.8524      0.00000
     10      11.2352      0.00000
     11      12.2365      0.00000
     12      12.8910      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8263      2.00000
      2       0.8010      2.00000
      3       4.6080      2.00000
      4       5.1338      1.99997
      5       6.6246      0.05161
      6       7.2654      0.00009
      7       7.8105      0.00000
      8       8.5781      0.00000
      9      10.3797      0.00000
     10      11.3481      0.00000
     11      12.3896      0.00000
     12      12.5994      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4378      2.00000
      2       0.0154      2.00000
      3       5.0297      1.99999
      4       5.5471      1.99842
      5       6.5658      0.09105
      6       7.1623      0.00024
      7       7.7547      0.00000
      8       7.8018      0.00000
      9       9.6351      0.00000
     10      11.8054      0.00000
     11      12.9838      0.00000
     12      13.1021      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0780      2.00000
      2      -0.5491      2.00000
      3       5.3279      1.99982
      4       5.9773      1.88987
      5       6.2155      1.22629
      6       7.1142      0.00040
      7       7.5464      0.00001
      8       7.9187      0.00000
      9       8.9686      0.00000
     10      11.5437      0.00000
     11      13.1662      0.00000
     12      14.2188      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4285      2.00000
      2       2.6201      2.00000
      3       4.5181      2.00000
      4       4.5243      2.00000
      5       5.7656      1.98605
      6       6.7679      0.01256
      7       8.5846      0.00000
      8      10.1908      0.00000
      9      10.4673      0.00000
     10      11.6043      0.00000
     11      12.8804      0.00000
     12      12.9445      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3882      2.00000
      2       2.7144      2.00000
      3       3.9484      2.00000
      4       4.5637      2.00000
      5       6.0959      1.67951
      6       7.0807      0.00055
      7       8.5435      0.00000
      8       9.3325      0.00000
      9      10.5680      0.00000
     10      11.9405      0.00000
     11      12.0141      0.00000
     12      12.9681      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2497      2.00000
      2       2.7400      2.00000
      3       3.0979      2.00000
      4       4.7009      2.00000
      5       6.3743      0.48923
      6       7.9620      0.00000
      7       8.1669      0.00000
      8       9.0271      0.00000
      9      10.6438      0.00000
     10      10.9114      0.00000
     11      11.9830      0.00000
     12      12.6926      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.0158      2.00000
      2       1.8785      2.00000
      3       3.2415      2.00000
      4       4.9347      2.00000
      5       6.5138      0.14860
      6       7.4256      0.00002
      7       8.4871      0.00000
      8       9.7080      0.00000
      9       9.9365      0.00000
     10      11.0825      0.00000
     11      11.4733      0.00000
     12      12.7410      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6938      2.00000
      2       0.9734      2.00000
      3       3.5921      2.00000
      4       5.2619      1.99991
      5       6.2348      1.13291
      6       7.1927      0.00018
      7       8.6950      0.00000
      8       8.7661      0.00000
      9      10.7548      0.00000
     10      11.4421      0.00000
     11      11.4625      0.00000
     12      12.8566      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.3049      2.00000
      2       0.1807      2.00000
      3       3.9937      2.00000
      4       5.6464      1.99575
      5       5.6715      1.99454
      6       7.4389      0.00002
      7       7.9374      0.00000
      8       8.8344      0.00000
      9      10.2298      0.00000
     10      11.8358      0.00000
     11      12.5869      0.00000
     12      12.9565      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9340      2.00000
      2      -0.4039      2.00000
      3       4.2539      2.00000
      4       5.3050      1.99986
      5       6.1048      1.65465
      6       7.2842      0.00007
      7       7.7346      0.00000
      8       8.8935      0.00000
      9       9.8759      0.00000
     10      12.0483      0.00000
     11      12.1942      0.00000
     12      13.3211      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1863      2.00000
      2       1.6260      2.00000
      3       4.7505      2.00000
      4       4.7681      2.00000
      5       6.0353      1.81146
      6       7.0505      0.00075
      7       9.2030      0.00000
      8       9.4292      0.00000
      9       9.8706      0.00000
     10      10.7002      0.00000
     11      12.3882      0.00000
     12      13.1208      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1501      2.00000
      2       1.7183      2.00000
      3       4.2305      2.00000
      4       4.8028      2.00000
      5       6.3270      0.68379
      6       7.3289      0.00005
      7       8.3547      0.00000
      8       9.5267      0.00000
      9       9.8728      0.00000
     10      11.2383      0.00000
     11      12.2254      0.00000
     12      12.8830      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.0153      2.00000
      2       1.8862      2.00000
      3       3.2325      2.00000
      4       4.9352      2.00000
      5       6.5132      0.14944
      6       7.4227      0.00002
      7       8.4745      0.00000
      8       9.7159      0.00000
      9       9.9549      0.00000
     10      11.0734      0.00000
     11      11.4769      0.00000
     12      12.7334      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7844      2.00000
      2       1.9584      2.00000
      3       2.4288      2.00000
      4       5.1642      1.99997
      5       6.1243      1.59547
      6       7.1890      0.00019
      7       9.6243      0.00000
      8       9.8968      0.00000
      9      10.1201      0.00000
     10      10.2504      0.00000
     11      11.4022      0.00000
     12      12.4396      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4639      2.00000
      2       1.2170      2.00000
      3       2.5959      2.00000
      4       5.4101      1.99960
      5       5.4868      1.99914
      6       7.3873      0.00003
      7       9.0451      0.00000
      8       9.9748      0.00000
      9      10.3846      0.00000
     10      11.0617      0.00000
     11      11.4272      0.00000
     12      12.5216      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0730      2.00000
      2       0.4268      2.00000
      3       2.9638      2.00000
      4       4.7673      2.00000
      5       5.8925      1.95127
      6       7.6930      0.00000
      7       8.2137      0.00000
      8       9.8393      0.00000
      9      10.7828      0.00000
     10      10.9368      0.00000
     11      12.3296      0.00000
     12      12.6068      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6883      2.00000
      2      -0.1790      2.00000
      3       3.2066      2.00000
      4       4.4276      2.00000
      5       6.3280      0.67939
      6       7.5495      0.00001
      7       7.9933      0.00000
      8       9.5236      0.00000
      9      11.0223      0.00000
     10      11.0737      0.00000
     11      12.2664      0.00000
     12      12.5587      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8574      2.00000
      2       0.7206      2.00000
      3       5.0735      1.99999
      4       5.1051      1.99998
      5       6.4070      0.37866
      6       7.2209      0.00014
      7       8.3286      0.00000
      8       8.4925      0.00000
      9       9.8024      0.00000
     10      11.2647      0.00000
     11      12.0442      0.00000
     12      13.3814      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8247      2.00000
      2       0.8075      2.00000
      3       4.5976      2.00000
      4       5.1353      1.99997
      5       6.6212      0.05337
      6       7.2550      0.00010
      7       7.8058      0.00000
      8       8.5847      0.00000
      9      10.3809      0.00000
     10      11.3700      0.00000
     11      12.3838      0.00000
     12      12.5892      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6925      2.00000
      2       0.9796      2.00000
      3       3.5835      2.00000
      4       5.2631      1.99991
      5       6.2321      1.14614
      6       7.1914      0.00018
      7       8.6806      0.00000
      8       8.7724      0.00000
      9      10.7594      0.00000
     10      11.4337      0.00000
     11      11.4825      0.00000
     12      12.8469      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4631      2.00000
      2       1.2223      2.00000
      3       2.5895      2.00000
      4       5.4085      1.99961
      5       5.4875      1.99913
      6       7.3877      0.00003
      7       9.0507      0.00000
      8       9.9605      0.00000
      9      10.3781      0.00000
     10      11.0628      0.00000
     11      11.4415      0.00000
     12      12.5219      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.1425      2.00000
      2       1.3634      2.00000
      3       1.8483      2.00000
      4       4.6276      2.00000
      5       5.8055      1.97929
      6       7.6712      0.00000
      7       9.3360      0.00000
      8       9.5019      0.00000
      9      10.6969      0.00000
     10      11.3507      0.00000
     11      11.6775      0.00000
     12      12.4734      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.7472      2.00000
      2       0.7349      2.00000
      3       2.0181      2.00000
      4       3.9836      2.00000
      5       6.2074      1.26404
      6       8.0090      0.00000
      7       8.5740      0.00000
      8       9.8318      0.00000
      9      10.3150      0.00000
     10      11.5805      0.00000
     11      11.7069      0.00000
     12      12.1812      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.3443      2.00000
      2       0.1114      2.00000
      3       2.2396      2.00000
      4       3.6453      2.00000
      5       6.6445      0.04250
      6       7.9010      0.00000
      7       8.3370      0.00000
      8       9.8579      0.00000
      9      10.0970      0.00000
     10      11.3265      0.00000
     11      11.6880      0.00000
     12      12.5035      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4667      2.00000
      2      -0.0583      2.00000
      3       5.4769      1.99922
      4       5.5227      1.99876
      5       6.8600      0.00502
      6       7.2993      0.00006
      7       7.6138      0.00000
      8       7.6738      0.00000
      9       8.9689      0.00000
     10      11.4673      0.00000
     11      13.1225      0.00000
     12      13.7086      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4350      2.00000
      2       0.0201      2.00000
      3       5.0203      1.99999
      4       5.5495      1.99838
      5       6.5600      0.09626
      6       7.1574      0.00026
      7       7.7596      0.00000
      8       7.7942      0.00000
      9       9.6313      0.00000
     10      11.8006      0.00000
     11      12.9751      0.00000
     12      13.1274      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.3025      2.00000
      2       0.1851      2.00000
      3       3.9861      2.00000
      4       5.6414      1.99595
      5       5.6737      1.99442
      6       7.4399      0.00002
      7       7.9420      0.00000
      8       8.8218      0.00000
      9      10.2264      0.00000
     10      11.8289      0.00000
     11      12.5764      0.00000
     12      12.9718      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0712      2.00000
      2       0.4307      2.00000
      3       2.9581      2.00000
      4       4.7640      2.00000
      5       5.8942      1.95046
      6       7.6944      0.00000
      7       8.2177      0.00000
      8       9.8337      0.00000
      9      10.7776      0.00000
     10      10.9247      0.00000
     11      12.3271      0.00000
     12      12.6025      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.7462      2.00000
      2       0.7380      2.00000
      3       2.0143      2.00000
      4       3.9820      2.00000
      5       6.2084      1.25950
      6       8.0100      0.00000
      7       8.5772      0.00000
      8       9.8283      0.00000
      9      10.3153      0.00000
     10      11.5774      0.00000
     11      11.7048      0.00000
     12      12.1622      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.3412      2.00000
      2       0.9638      2.00000
      3       1.2836      2.00000
      4       3.3520      2.00000
      5       6.6073      0.06109
      6       8.3820      0.00000
      7       8.9619      0.00000
      8       9.0155      0.00000
      9      10.4314      0.00000
     10      10.9600      0.00000
     11      10.9939      0.00000
     12      13.3539      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.9117      2.00000
      2       0.4288      2.00000
      3       1.3729      2.00000
      4       3.0132      2.00000
      5       7.0467      0.00078
      6       8.3064      0.00000
      7       8.7580      0.00000
      8       9.2856      0.00000
      9      10.0697      0.00000
     10      10.5338      0.00000
     11      10.8894      0.00000
     12      13.3955      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1142      2.00000
      2      -0.6059      2.00000
      3       5.9000      1.94756
      4       5.9499      1.91513
      5       6.8311      0.00670
      6       7.0459      0.00078
      7       7.4206      0.00002
      8       7.5227      0.00001
      9       8.2414      0.00000
     10      11.3073      0.00000
     11      14.0253      0.00000
     12      14.4250      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0739      2.00000
      2      -0.5460      2.00000
      3       5.3199      1.99984
      4       5.9812      1.88574
      5       6.2072      1.26502
      6       7.1173      0.00038
      7       7.5487      0.00001
      8       7.9080      0.00000
      9       8.9603      0.00000
     10      11.5376      0.00000
     11      13.1591      0.00000
     12      14.2109      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9303      2.00000
      2      -0.4012      2.00000
      3       4.2475      2.00000
      4       5.2984      1.99987
      5       6.1084      1.64430
      6       7.2870      0.00007
      7       7.7380      0.00000
      8       8.8854      0.00000
      9       9.8643      0.00000
     10      12.0428      0.00000
     11      12.1829      0.00000
     12      13.3126      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6851      2.00000
      2      -0.1768      2.00000
      3       3.2019      2.00000
      4       4.4228      2.00000
      5       6.3310      0.66571
      6       7.5518      0.00000
      7       7.9964      0.00000
      8       9.5211      0.00000
      9      11.0186      0.00000
     10      11.0563      0.00000
     11      12.2602      0.00000
     12      12.5542      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.3419      2.00000
      2       0.1129      2.00000
      3       2.2367      2.00000
      4       3.6423      2.00000
      5       6.6468      0.04154
      6       7.9025      0.00000
      7       8.3394      0.00000
      8       9.8573      0.00000
      9      10.0949      0.00000
     10      11.3224      0.00000
     11      11.6852      0.00000
     12      12.4830      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.9103      2.00000
      2       0.4294      2.00000
      3       1.3716      2.00000
      4       3.0119      2.00000
      5       7.0481      0.00077
      6       8.3067      0.00000
      7       8.7595      0.00000
      8       9.2851      0.00000
      9      10.0693      0.00000
     10      10.5318      0.00000
     11      10.8882      0.00000
     12      13.3913      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.4304      2.00000
      2       0.5541      2.00000
      3       0.7632      2.00000
      4       2.6438      2.00000
      5       7.4940      0.00001
      6       8.4927      0.00000
      7       8.7749      0.00000
      8       9.2182      0.00000
      9      10.0174      0.00000
     10      10.1405      0.00000
     11      10.2610      0.00000
     12      13.3401      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5266      2.00000
      2       3.5665      2.00000
      3       3.8369      2.00000
      4       4.4325      2.00000
      5       5.9387      1.92379
      6       6.5137      0.14874
      7       7.9613      0.00000
      8      10.8109      0.00000
      9      11.2824      0.00000
     10      11.7434      0.00000
     11      12.4875      0.00000
     12      12.8980      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4818      2.00000
      2       3.6119      2.00000
      3       3.7277      2.00000
      4       4.0332      2.00000
      5       6.5210      0.13900
      6       6.5348      0.12216
      7       8.0578      0.00000
      8      10.2477      0.00000
      9      10.8432      0.00000
     10      11.2587      0.00000
     11      12.8058      0.00000
     12      13.3283      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3391      2.00000
      2       2.7378      2.00000
      3       3.8170      2.00000
      4       4.1374      2.00000
      5       6.6496      0.04043
      6       7.2677      0.00009
      7       8.5889      0.00000
      8       9.2983      0.00000
      9      10.0297      0.00000
     10      11.2642      0.00000
     11      12.5530      0.00000
     12      13.2676      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.1013      2.00000
      2       1.7514      2.00000
      3       4.0803      2.00000
      4       4.3800      2.00000
      5       6.8641      0.00482
      6       7.5365      0.00001
      7       8.3320      0.00000
      8       9.0374      0.00000
      9       9.9497      0.00000
     10      11.4891      0.00000
     11      11.7597      0.00000
     12      13.0688      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7763      2.00000
      2       0.8447      2.00000
      3       4.4347      2.00000
      4       4.7064      2.00000
      5       7.1374      0.00031
      6       7.3247      0.00005
      7       7.7190      0.00000
      8       8.4335      0.00000
      9      10.8680      0.00000
     10      11.3741      0.00000
     11      11.8045      0.00000
     12      12.5737      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3869      2.00000
      2       0.0594      2.00000
      3       4.8639      2.00000
      4       5.0861      1.99998
      5       6.6054      0.06221
      6       7.1258      0.00035
      7       7.6966      0.00000
      8       8.2794      0.00000
      9      10.0544      0.00000
     10      11.8829      0.00000
     11      12.2507      0.00000
     12      13.1212      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0256      2.00000
      2      -0.5061      2.00000
      3       5.2720      1.99990
      4       5.3897      1.99967
      5       6.0659      1.75226
      6       6.7532      0.01454
      7       8.1586      0.00000
      8       8.3290      0.00000
      9       9.3103      0.00000
     10      11.6587      0.00000
     11      12.4131      0.00000
     12      13.7944      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3791      2.00000
      2       2.6525      2.00000
      3       3.8790      2.00000
      4       4.5702      2.00000
      5       6.1512      1.50178
      6       7.1385      0.00031
      7       8.6333      0.00000
      8       9.8005      0.00000
      9      10.3076      0.00000
     10      11.8091      0.00000
     11      12.0094      0.00000
     12      12.8911      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3388      2.00000
      2       2.7478      2.00000
      3       3.8121      2.00000
      4       4.1308      2.00000
      5       6.6389      0.04490
      6       7.2691      0.00008
      7       8.6008      0.00000
      8       9.2989      0.00000
      9      10.0366      0.00000
     10      11.2541      0.00000
     11      12.5586      0.00000
     12      13.2533      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.2002      2.00000
      2       2.7917      2.00000
      3       3.0968      2.00000
      4       4.1221      2.00000
      5       7.0533      0.00073
      6       8.0084      0.00000
      7       8.2133      0.00000
      8       9.0060      0.00000
      9       9.9507      0.00000
     10      10.5098      0.00000
     11      12.6493      0.00000
     12      13.1691      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9661      2.00000
      2       1.9221      2.00000
      3       3.2646      2.00000
      4       4.3313      2.00000
      5       7.0488      0.00076
      6       7.6174      0.00000
      7       8.4641      0.00000
      8       9.2026      0.00000
      9       9.9271      0.00000
     10      10.6134      0.00000
     11      12.1075      0.00000
     12      13.2583      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6437      2.00000
      2       1.0180      2.00000
      3       3.6231      2.00000
      4       4.6275      2.00000
      5       6.4049      0.38494
      6       7.7544      0.00000
      7       8.0915      0.00000
      8       8.9862      0.00000
      9      10.7241      0.00000
     10      11.2617      0.00000
     11      11.6532      0.00000
     12      13.2613      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2541      2.00000
      2       0.2254      2.00000
      3       4.0343      2.00000
      4       4.9770      1.99999
      5       5.7515      1.98788
      6       7.3773      0.00003
      7       8.1318      0.00000
      8       9.1129      0.00000
      9      10.6311      0.00000
     10      11.1540      0.00000
     11      12.5898      0.00000
     12      12.9883      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8817      2.00000
      2      -0.3603      2.00000
      3       4.3036      2.00000
      4       5.2390      1.99993
      5       5.4712      1.99926
      6       6.8449      0.00584
      7       8.4985      0.00000
      8       9.2596      0.00000
      9      10.0989      0.00000
     10      11.3607      0.00000
     11      12.0985      0.00000
     12      13.0144      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1366      2.00000
      2       1.6672      2.00000
      3       4.1132      2.00000
      4       4.8046      2.00000
      5       6.4012      0.39666
      6       7.4391      0.00002
      7       8.8022      0.00000
      8       9.3031      0.00000
      9       9.9459      0.00000
     10      11.1228      0.00000
     11      12.0484      0.00000
     12      12.5559      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1004      2.00000
      2       1.7597      2.00000
      3       4.0771      2.00000
      4       4.3726      2.00000
      5       6.8534      0.00536
      6       7.5328      0.00001
      7       8.3314      0.00000
      8       9.0450      0.00000
      9       9.9677      0.00000
     10      11.4800      0.00000
     11      11.7610      0.00000
     12      13.0642      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9655      2.00000
      2       1.9298      2.00000
      3       3.2556      2.00000
      4       4.3316      2.00000
      5       7.0477      0.00077
      6       7.6141      0.00000
      7       8.4546      0.00000
      8       9.2094      0.00000
      9       9.9376      0.00000
     10      10.6108      0.00000
     11      12.1124      0.00000
     12      13.2484      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7345      2.00000
      2       2.0105      2.00000
      3       2.4568      2.00000
      4       4.5325      2.00000
      5       6.3159      0.73461
      6       7.7558      0.00000
      7       9.1460      0.00000
      8       9.4963      0.00000
      9       9.7544      0.00000
     10      10.5477      0.00000
     11      12.1241      0.00000
     12      12.8333      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.4137      2.00000
      2       1.2637      2.00000
      3       2.6352      2.00000
      4       4.7911      2.00000
      5       5.5739      1.99794
      6       8.0207      0.00000
      7       8.4514      0.00000
      8       9.7585      0.00000
      9      10.2021      0.00000
     10      11.5257      0.00000
     11      11.7417      0.00000
     12      12.6601      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.0222      2.00000
      2       0.4727      2.00000
      3       3.0090      2.00000
      4       4.7250      2.00000
      5       5.3487      1.99978
      6       7.6437      0.00000
      7       8.4178      0.00000
      8      10.1060      0.00000
      9      10.3105      0.00000
     10      11.1465      0.00000
     11      12.1197      0.00000
     12      12.9646      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6361      2.00000
      2      -0.1342      2.00000
      3       3.2573      2.00000
      4       4.4310      2.00000
      5       5.6667      1.99479
      6       7.0647      0.00065
      7       8.7556      0.00000
      8      10.0564      0.00000
      9      10.3537      0.00000
     10      11.1053      0.00000
     11      11.8057      0.00000
     12      13.2904      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8073      2.00000
      2       0.7642      2.00000
      3       4.4424      2.00000
      4       5.1293      1.99998
      5       6.6952      0.02583
      6       7.5872      0.00000
      7       7.9808      0.00000
      8       8.4700      0.00000
      9      10.2448      0.00000
     10      11.3580      0.00000
     11      12.1021      0.00000
     12      12.4196      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7746      2.00000
      2       0.8512      2.00000
      3       4.4335      2.00000
      4       4.6985      2.00000
      5       7.1287      0.00034
      6       7.3166      0.00005
      7       7.7227      0.00000
      8       8.4337      0.00000
      9      10.8683      0.00000
     10      11.3955      0.00000
     11      11.7957      0.00000
     12      12.5695      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6424      2.00000
      2       1.0241      2.00000
      3       3.6146      2.00000
      4       4.6285      2.00000
      5       6.4019      0.39456
      6       7.7537      0.00000
      7       8.0923      0.00000
      8       8.9758      0.00000
      9      10.7179      0.00000
     10      11.2719      0.00000
     11      11.6672      0.00000
     12      13.2511      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.4129      2.00000
      2       1.2691      2.00000
      3       2.6287      2.00000
      4       4.7915      2.00000
      5       5.5725      1.99797
      6       8.0216      0.00000
      7       8.4552      0.00000
      8       9.7524      0.00000
      9      10.1863      0.00000
     10      11.5411      0.00000
     11      11.7486      0.00000
     12      12.6561      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0921      2.00000
      2       1.4158      2.00000
      3       1.8865      2.00000
      4       4.5890      2.00000
      5       5.2841      1.99989
      6       8.3358      0.00000
      7       8.6240      0.00000
      8       9.0262      0.00000
      9      11.3251      0.00000
     10      11.7632      0.00000
     11      11.8183      0.00000
     12      11.8834      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6964      2.00000
      2       0.7831      2.00000
      3       2.0646      2.00000
      4       3.9970      2.00000
      5       5.6031      1.99724
      6       7.9745      0.00000
      7       8.7261      0.00000
      8       9.2089      0.00000
      9      10.9291      0.00000
     10      11.2723      0.00000
     11      12.2185      0.00000
     12      12.3705      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2924      2.00000
      2       0.1580      2.00000
      3       2.2909      2.00000
      4       3.6629      2.00000
      5       5.9867      1.87962
      6       7.3670      0.00003
      7       9.0795      0.00000
      8       9.4371      0.00000
      9      10.3567      0.00000
     10      11.0441      0.00000
     11      12.4218      0.00000
     12      12.6156      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4158      2.00000
      2      -0.0145      2.00000
      3       4.8475      2.00000
      4       5.5328      1.99863
      5       6.7649      0.01294
      6       7.3127      0.00005
      7       7.7207      0.00000
      8       7.9573      0.00000
      9       9.4357      0.00000
     10      11.6502      0.00000
     11      12.6474      0.00000
     12      13.1962      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3842      2.00000
      2       0.0642      2.00000
      3       4.8653      2.00000
      4       5.0778      1.99999
      5       6.6008      0.06507
      6       7.1237      0.00036
      7       7.6908      0.00000
      8       8.2767      0.00000
      9      10.0511      0.00000
     10      11.8778      0.00000
     11      12.2446      0.00000
     12      13.1447      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2516      2.00000
      2       0.2298      2.00000
      3       4.0267      2.00000
      4       4.9786      1.99999
      5       5.7473      1.98837
      6       7.3806      0.00003
      7       8.1314      0.00000
      8       9.1000      0.00000
      9      10.6297      0.00000
     10      11.1472      0.00000
     11      12.5803      0.00000
     12      13.0025      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.0204      2.00000
      2       0.4767      2.00000
      3       3.0033      2.00000
      4       4.7224      2.00000
      5       5.3498      1.99978
      6       7.6470      0.00000
      7       8.4189      0.00000
      8      10.1012      0.00000
      9      10.2989      0.00000
     10      11.1410      0.00000
     11      12.1161      0.00000
     12      12.9673      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6953      2.00000
      2       0.7861      2.00000
      3       2.0608      2.00000
      4       3.9954      2.00000
      5       5.6041      1.99721
      6       7.9772      0.00000
      7       8.7269      0.00000
      8       9.2056      0.00000
      9      10.9302      0.00000
     10      11.2677      0.00000
     11      12.2065      0.00000
     12      12.3640      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.2901      2.00000
      2       1.0164      2.00000
      3       1.3294      2.00000
      4       3.3733      2.00000
      5       5.9812      1.88573
      6       8.2514      0.00000
      7       8.4733      0.00000
      8       9.0924      0.00000
      9      10.5209      0.00000
     10      11.2201      0.00000
     11      11.7161      0.00000
     12      13.6075      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.8599      2.00000
      2       0.4782      2.00000
      3       1.4246      2.00000
      4       3.0343      2.00000
      5       6.3927      0.42446
      6       7.7043      0.00000
      7       8.6029      0.00000
      8       9.4892      0.00000
      9      10.1142      0.00000
     10      10.8903      0.00000
     11      11.6461      0.00000
     12      13.7788      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0616      2.00000
      2      -0.5633      2.00000
      3       5.2505      1.99992
      4       5.9487      1.91609
      5       6.3455      0.60330
      6       6.8856      0.00389
      7       7.7915      0.00000
      8       8.1302      0.00000
      9       8.7347      0.00000
     10      11.4730      0.00000
     11      13.0416      0.00000
     12      13.9694      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0214      2.00000
      2      -0.5031      2.00000
      3       5.2747      1.99990
      4       5.3827      1.99969
      5       6.0615      1.76159
      6       6.7508      0.01489
      7       8.1470      0.00000
      8       8.3305      0.00000
      9       9.3041      0.00000
     10      11.6535      0.00000
     11      12.4060      0.00000
     12      13.7859      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8780      2.00000
      2      -0.3575      2.00000
      3       4.2972      2.00000
      4       5.2346      1.99993
      5       5.4733      1.99925
      6       6.8463      0.00576
      7       8.5015      0.00000
      8       9.2484      0.00000
      9      10.0909      0.00000
     10      11.3551      0.00000
     11      12.0878      0.00000
     12      13.0077      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.6329      2.00000
      2      -0.1320      2.00000
      3       3.2527      2.00000
      4       4.4264      2.00000
      5       5.6698      1.99463
      6       7.0663      0.00064
      7       8.7585      0.00000
      8      10.0532      0.00000
      9      10.3499      0.00000
     10      11.0893      0.00000
     11      11.7986      0.00000
     12      13.2852      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2900      2.00000
      2       0.1596      2.00000
      3       2.2880      2.00000
      4       3.6599      2.00000
      5       5.9891      1.87688
      6       7.3680      0.00003
      7       9.0816      0.00000
      8       9.4350      0.00000
      9      10.3564      0.00000
     10      11.0398      0.00000
     11      12.4175      0.00000
     12      12.5972      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.8585      2.00000
      2       0.4788      2.00000
      3       1.4233      2.00000
      4       3.0329      2.00000
      5       6.3941      0.41981
      6       7.7044      0.00000
      7       8.6022      0.00000
      8       9.4904      0.00000
      9      10.1134      0.00000
     10      10.8892      0.00000
     11      11.6451      0.00000
     12      13.7714      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3785      2.00000
      2       0.6055      2.00000
      3       0.8159      2.00000
      4       2.6643      2.00000
      5       6.8426      0.00597
      6       7.8265      0.00000
      7       8.0637      0.00000
      8       9.6854      0.00000
      9      10.0120      0.00000
     10      10.9042      0.00000
     11      11.0557      0.00000
     12      13.7197      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2316      2.00000
      2       2.5849      2.00000
      3       3.0724      2.00000
      4       4.7165      2.00000
      5       6.4168      0.34923
      6       8.0560      0.00000
      7       8.6619      0.00000
      8       9.1515      0.00000
      9      10.3699      0.00000
     10      10.7449      0.00000
     11      11.9957      0.00000
     12      12.7130      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1912      2.00000
      2       2.6556      2.00000
      3       3.1167      2.00000
      4       4.1922      2.00000
      5       7.0183      0.00103
      6       8.0659      0.00000
      7       8.7331      0.00000
      8       8.9806      0.00000
      9       9.5698      0.00000
     10      10.3880      0.00000
     11      12.6165      0.00000
     12      13.4252      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0523      2.00000
      2       2.7942      2.00000
      3       2.9470      2.00000
      4       3.5420      2.00000
      5       8.0868      0.00000
      6       8.1302      0.00000
      7       8.3648      0.00000
      8       8.8994      0.00000
      9       8.9292      0.00000
     10      10.0661      0.00000
     11      13.1999      0.00000
     12      13.7782      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8176      2.00000
      2       2.0397      2.00000
      3       3.1078      2.00000
      4       3.6365      2.00000
      5       7.3342      0.00004
      6       7.9959      0.00000
      7       8.4682      0.00000
      8       9.0442      0.00000
      9       9.3626      0.00000
     10      10.4524      0.00000
     11      13.0651      0.00000
     12      13.5444      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4941      2.00000
      2       1.1480      2.00000
      3       3.4696      2.00000
      4       3.9060      2.00000
      5       6.4719      0.21750
      6       7.2825      0.00007
      7       8.7387      0.00000
      8       9.3592      0.00000
      9       9.7910      0.00000
     10      11.6580      0.00000
     11      12.3332      0.00000
     12      12.7373      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.1022      2.00000
      2       0.3576      2.00000
      3       3.9142      2.00000
      4       4.2172      2.00000
      5       5.6937      1.99318
      6       6.6595      0.03668
      7       9.1296      0.00000
      8       9.6218      0.00000
      9      10.1180      0.00000
     10      11.5537      0.00000
     11      11.9736      0.00000
     12      13.0677      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7252      2.00000
      2      -0.2310      2.00000
      3       4.3374      2.00000
      4       4.4641      2.00000
      5       5.0992      1.99998
      6       6.2921      0.84825
      7       9.5941      0.00000
      8       9.8143      0.00000
      9      10.3343      0.00000
     10      10.8425      0.00000
     11      11.5689      0.00000
     12      12.9975      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9884      2.00000
      2       1.7769      2.00000
      3       3.1257      2.00000
      4       4.9506      2.00000
      5       6.5796      0.07981
      6       7.9167      0.00000
      7       8.5946      0.00000
      8       9.4315      0.00000
      9      10.0618      0.00000
     10      10.9192      0.00000
     11      11.5133      0.00000
     12      12.6504      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9522      2.00000
      2       1.8691      2.00000
      3       3.1496      2.00000
      4       4.4554      2.00000
      5       7.1248      0.00036
      6       7.9344      0.00000
      7       8.3467      0.00000
      8       8.9310      0.00000
      9      10.0044      0.00000
     10      10.5832      0.00000
     11      12.3762      0.00000
     12      13.0618      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.8171      2.00000
      2       2.0475      2.00000
      3       3.1037      2.00000
      4       3.6319      2.00000
      5       7.3335      0.00004
      6       7.9962      0.00000
      7       8.4603      0.00000
      8       9.0419      0.00000
      9       9.3626      0.00000
     10      10.4630      0.00000
     11      13.0692      0.00000
     12      13.5420      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5855      2.00000
      2       2.1669      2.00000
      3       2.5046      2.00000
      4       3.5946      2.00000
      5       6.4712      0.21880
      6       8.1111      0.00000
      7       8.6323      0.00000
      8       8.9761      0.00000
      9       9.8910      0.00000
     10      10.7363      0.00000
     11      12.6804      0.00000
     12      13.2464      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2638      2.00000
      2       1.4008      2.00000
      3       2.7379      2.00000
      4       3.8390      2.00000
      5       5.6619      1.99504
      6       7.4630      0.00001
      7       8.7952      0.00000
      8       9.2966      0.00000
      9      10.4225      0.00000
     10      11.5737      0.00000
     11      12.1321      0.00000
     12      12.8334      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8704      2.00000
      2       0.6088      2.00000
      3       3.1377      2.00000
      4       4.1342      2.00000
      5       4.9937      1.99999
      6       6.7693      0.01239
      7       9.1258      0.00000
      8       9.6606      0.00000
      9      10.6487      0.00000
     10      11.1846      0.00000
     11      12.1879      0.00000
     12      13.4827      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4801      2.00000
      2      -0.0012      2.00000
      3       3.4090      2.00000
      4       4.3607      2.00000
      5       4.6787      2.00000
      6       6.2768      0.92354
      7       9.3007      0.00000
      8      10.0679      0.00000
      9      10.7478      0.00000
     10      10.9249      0.00000
     11      11.7197      0.00000
     12      13.7452      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6578      2.00000
      2       0.8911      2.00000
      3       3.4291      2.00000
      4       5.2751      1.99990
      5       6.4685      0.22407
      6       7.4569      0.00001
      7       8.5535      0.00000
      8       8.8614      0.00000
      9      10.7745      0.00000
     10      11.1416      0.00000
     11      11.6099      0.00000
     12      12.5486      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6251      2.00000
      2       0.9785      2.00000
      3       3.4548      2.00000
      4       4.7962      2.00000
      5       6.7600      0.01359
      6       7.4578      0.00001
      7       7.9676      0.00000
      8       9.0762      0.00000
      9      10.7331      0.00000
     10      11.5266      0.00000
     11      11.6227      0.00000
     12      12.8451      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4928      2.00000
      2       1.1542      2.00000
      3       3.4672      2.00000
      4       3.9010      2.00000
      5       6.4703      0.22054
      6       7.2849      0.00007
      7       8.7271      0.00000
      8       9.3548      0.00000
      9       9.7849      0.00000
     10      11.6798      0.00000
     11      12.3347      0.00000
     12      12.7327      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2630      2.00000
      2       1.4063      2.00000
      3       2.7314      2.00000
      4       3.8396      2.00000
      5       5.6605      1.99510
      6       7.4670      0.00001
      7       8.7898      0.00000
      8       9.2955      0.00000
      9      10.4064      0.00000
     10      11.5844      0.00000
     11      12.1420      0.00000
     12      12.8356      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.9416      2.00000
      2       1.5729      2.00000
      3       1.9946      2.00000
      4       4.0457      2.00000
      5       4.9341      2.00000
      6       7.5568      0.00000
      7       8.1266      0.00000
      8       9.6145      0.00000
      9      10.9645      0.00000
     10      11.7029      0.00000
     11      12.3695      0.00000
     12      12.9177      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.5443      2.00000
      2       0.9261      2.00000
      3       2.2022      2.00000
      4       3.9732      2.00000
      5       4.6926      2.00000
      6       7.0116      0.00111
      7       8.2244      0.00000
      8       9.9084      0.00000
      9      10.4762      0.00000
     10      12.0357      0.00000
     11      12.6961      0.00000
     12      13.3918      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.1369      2.00000
      2       0.2969      2.00000
      3       2.4445      2.00000
      4       3.7031      2.00000
      5       4.9480      2.00000
      6       6.4659      0.22935
      7       8.3795      0.00000
      8       9.9982      0.00000
      9      10.4652      0.00000
     10      11.7474      0.00000
     11      12.8016      0.00000
     12      13.7123      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2636      2.00000
      2       0.1152      2.00000
      3       3.8142      2.00000
      4       5.6771      1.99423
      5       5.9208      1.93583
      6       7.4274      0.00002
      7       7.9652      0.00000
      8       8.9840      0.00000
      9      10.1884      0.00000
     10      11.5607      0.00000
     11      12.2435      0.00000
     12      12.8716      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2322      2.00000
      2       0.1944      2.00000
      3       3.8428      2.00000
      4       5.1733      1.99996
      5       6.0469      1.79067
      6       6.9810      0.00150
      7       8.1022      0.00000
      8       9.2884      0.00000
      9      10.7843      0.00000
     10      11.1198      0.00000
     11      12.3396      0.00000
     12      13.0377      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0998      2.00000
      2       0.3621      2.00000
      3       3.9141      2.00000
      4       4.2118      2.00000
      5       5.6914      1.99334
      6       6.6599      0.03654
      7       9.1172      0.00000
      8       9.6191      0.00000
      9      10.1113      0.00000
     10      11.5520      0.00000
     11      11.9669      0.00000
     12      13.0777      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8685      2.00000
      2       0.6128      2.00000
      3       3.1320      2.00000
      4       4.1353      2.00000
      5       4.9916      1.99999
      6       6.7717      0.01210
      7       9.1208      0.00000
      8       9.6609      0.00000
      9      10.6317      0.00000
     10      11.1824      0.00000
     11      12.1875      0.00000
     12      13.5063      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.5433      2.00000
      2       0.9293      2.00000
      3       2.1983      2.00000
      4       3.9721      2.00000
      5       4.6933      2.00000
      6       7.0137      0.00108
      7       8.2213      0.00000
      8       9.9087      0.00000
      9      10.4748      0.00000
     10      12.0249      0.00000
     11      12.6895      0.00000
     12      13.3967      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.1373      2.00000
      2       1.1739      2.00000
      3       1.4649      2.00000
      4       3.4269      2.00000
      5       4.9793      1.99999
      6       7.1794      0.00021
      7       7.5359      0.00001
      8       9.6976      0.00000
      9      10.5043      0.00000
     10      12.5141      0.00000
     11      12.9058      0.00000
     12      13.7626      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.7049      2.00000
      2       0.6254      2.00000
      3       1.5796      2.00000
      4       3.0932      2.00000
      5       5.3517      1.99978
      6       6.7124      0.02178
      7       7.5537      0.00000
      8       9.4537      0.00000
      9      10.8495      0.00000
     10      12.1094      0.00000
     11      12.9410      0.00000
     12      14.2665      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9044      2.00000
      2      -0.4369      2.00000
      3       4.1843      2.00000
      4       5.4044      1.99962
      5       6.1002      1.66763
      6       7.0350      0.00087
      7       7.9990      0.00000
      8       8.9936      0.00000
      9       9.8499      0.00000
     10      11.8575      0.00000
     11      12.0856      0.00000
     12      13.0282      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8645      2.00000
      2      -0.3759      2.00000
      3       4.2225      2.00000
      4       5.3583      1.99976
      5       5.5365      1.99858
      6       6.6818      0.02947
      7       8.4225      0.00000
      8       9.4742      0.00000
      9      10.1114      0.00000
     10      11.3474      0.00000
     11      11.9725      0.00000
     12      12.9349      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7215      2.00000
      2      -0.2282      2.00000
      3       4.3402      2.00000
      4       4.4583      2.00000
      5       5.0965      1.99998
      6       6.2901      0.85817
      7       9.5790      0.00000
      8       9.8157      0.00000
      9      10.3288      0.00000
     10      10.8371      0.00000
     11      11.5606      0.00000
     12      12.9922      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4769      2.00000
      2       0.0011      2.00000
      3       3.4044      2.00000
      4       4.3580      2.00000
      5       4.6805      2.00000
      6       6.2773      0.92100
      7       9.2967      0.00000
      8      10.0703      0.00000
      9      10.7432      0.00000
     10      10.9118      0.00000
     11      11.7111      0.00000
     12      13.7328      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.1345      2.00000
      2       0.2985      2.00000
      3       2.4416      2.00000
      4       3.7002      2.00000
      5       4.9505      2.00000
      6       6.4665      0.22823
      7       8.3771      0.00000
      8       9.9958      0.00000
      9      10.4671      0.00000
     10      11.7443      0.00000
     11      12.7830      0.00000
     12      13.7097      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.7035      2.00000
      2       0.6260      2.00000
      3       1.5783      2.00000
      4       3.0918      2.00000
      5       5.3531      1.99977
      6       6.7123      0.02181
      7       7.5529      0.00000
      8       9.4525      0.00000
      9      10.8509      0.00000
     10      12.1085      0.00000
     11      12.9401      0.00000
     12      14.2455      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.2233      2.00000
      2       0.7593      2.00000
      3       0.9736      2.00000
      4       2.7230      2.00000
      5       5.8001      1.98037
      6       6.7811      0.01101
      7       6.9895      0.00138
      8       9.1371      0.00000
      9      11.2932      0.00000
     10      12.2061      0.00000
     11      12.3769      0.00000
     12      14.6299      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7445      2.00000
      2       1.7636      2.00000
      3       2.3777      2.00000
      4       5.1925      1.99995
      5       6.3668      0.51740
      6       7.4723      0.00001
      7       9.5850      0.00000
      8       9.7077      0.00000
      9       9.9690      0.00000
     10      10.4089      0.00000
     11      11.4303      0.00000
     12      12.5043      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7083      2.00000
      2       1.8314      2.00000
      3       2.4330      2.00000
      4       4.6694      2.00000
      5       6.7174      0.02072
      6       7.7467      0.00000
      7       8.6920      0.00000
      8       9.4468      0.00000
      9       9.8278      0.00000
     10      10.5962      0.00000
     11      12.1168      0.00000
     12      13.0831      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5727      2.00000
      2       1.9982      2.00000
      3       2.5305      2.00000
      4       3.7154      2.00000
      5       6.9456      0.00214
      6       7.6659      0.00000
      7       8.4879      0.00000
      8       8.9531      0.00000
      9       9.9564      0.00000
     10      10.8020      0.00000
     11      12.6256      0.00000
     12      13.1765      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3402      2.00000
      2       2.2290      2.00000
      3       2.4269      2.00000
      4       3.0730      2.00000
      5       6.5812      0.07859
      6       7.0887      0.00051
      7       7.9256      0.00000
      8      10.1347      0.00000
      9      10.1655      0.00000
     10      10.9433      0.00000
     11      11.9932      0.00000
     12      13.8596      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0167      2.00000
      2       1.6091      2.00000
      3       2.6485      2.00000
      4       3.1857      2.00000
      5       5.7278      1.99043
      6       6.5896      0.07250
      7       7.9161      0.00000
      8      10.4426      0.00000
      9      10.6274      0.00000
     10      11.1485      0.00000
     11      12.3042      0.00000
     12      13.8725      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.6196      2.00000
      2       0.8283      2.00000
      3       3.0947      2.00000
      4       3.4489      2.00000
      5       4.9361      2.00000
      6       6.0283      1.82300
      7       8.1541      0.00000
      8      10.1971      0.00000
      9      10.8523      0.00000
     10      11.4051      0.00000
     11      13.2620      0.00000
     12      13.7171      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.2217      2.00000
      2       0.2149      2.00000
      3       3.5396      2.00000
      4       3.6631      2.00000
      5       4.3141      2.00000
      6       5.6863      1.99367
      7       8.2947      0.00000
      8       9.9951      0.00000
      9      11.3030      0.00000
     10      11.5953      0.00000
     11      12.5968      0.00000
     12      14.1762      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4114      2.00000
      2       1.0796      2.00000
      3       2.4681      2.00000
      4       5.5164      1.99884
      5       5.7179      1.99132
      6       7.5451      0.00001
      7       8.8055      0.00000
      8      10.0346      0.00000
      9      10.1827      0.00000
     10      11.1993      0.00000
     11      11.4886      0.00000
     12      12.6209      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3788      2.00000
      2       1.1664      2.00000
      3       2.4988      2.00000
      4       4.9712      2.00000
      5       5.9719      1.89534
      6       7.7029      0.00000
      7       8.1846      0.00000
      8       9.7654      0.00000
      9      10.3549      0.00000
     10      11.6235      0.00000
     11      11.9338      0.00000
     12      12.5126      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2463      2.00000
      2       1.3472      2.00000
      3       2.5977      2.00000
      4       4.0199      2.00000
      5       6.0507      1.78337
      6       7.0046      0.00118
      7       8.7710      0.00000
      8       9.1985      0.00000
      9      10.5612      0.00000
     10      11.6011      0.00000
     11      12.1469      0.00000
     12      13.0606      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.0160      2.00000
      2       1.6148      2.00000
      3       2.6457      2.00000
      4       3.1825      2.00000
      5       5.7277      1.99044
      6       6.5915      0.07118
      7       7.9112      0.00000
      8      10.4260      0.00000
      9      10.6264      0.00000
     10      11.1527      0.00000
     11      12.3195      0.00000
     12      13.8739      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6932      2.00000
      2       1.8341      2.00000
      3       2.1313      2.00000
      4       3.1709      2.00000
      5       5.0093      1.99999
      6       6.5230      0.13636
      7       7.2899      0.00007
      8      10.0721      0.00000
      9      11.0878      0.00000
     10      11.9727      0.00000
     11      12.7422      0.00000
     12      14.1379      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2932      2.00000
      2       1.1586      2.00000
      3       2.4188      2.00000
      4       3.4322      2.00000
      5       4.3561      2.00000
      6       6.0708      1.74142
      7       7.2653      0.00009
      8       9.5555      0.00000
      9      11.4839      0.00000
     10      12.5427      0.00000
     11      13.7568      0.00000
     12      14.0087      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8794      2.00000
      2       0.5234      2.00000
      3       2.6990      2.00000
      4       3.6579      2.00000
      5       4.0103      2.00000
      6       5.6153      1.99688
      7       7.3632      0.00003
      8       9.3219      0.00000
      9      11.8823      0.00000
     10      12.7661      0.00000
     11      13.3260      0.00000
     12      15.0445      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0124      2.00000
      2       0.3231      2.00000
      3       2.8133      2.00000
      4       5.0278      1.99999
      5       5.9194      1.93673
      6       7.6676      0.00000
      7       8.2011      0.00000
      8       9.8362      0.00000
      9      10.5454      0.00000
     10      11.1608      0.00000
     11      12.1319      0.00000
     12      12.8717      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9813      2.00000
      2       0.4031      2.00000
      3       2.8443      2.00000
      4       4.9739      1.99999
      5       5.6217      1.99668
      6       7.1823      0.00020
      7       8.3602      0.00000
      8      10.1121      0.00000
      9      10.4924      0.00000
     10      11.4296      0.00000
     11      12.0259      0.00000
     12      12.6082      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8491      2.00000
      2       0.5745      2.00000
      3       2.9580      2.00000
      4       4.3500      2.00000
      5       5.2615      1.99991
      6       6.4346      0.30105
      7       9.1227      0.00000
      8       9.4892      0.00000
      9      10.8247      0.00000
     10      11.2245      0.00000
     11      12.3994      0.00000
     12      13.3736      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6178      2.00000
      2       0.8324      2.00000
      3       3.0940      2.00000
      4       3.4455      2.00000
      5       4.9352      2.00000
      6       6.0286      1.82257
      7       8.1493      0.00000
      8      10.1921      0.00000
      9      10.8394      0.00000
     10      11.4023      0.00000
     11      13.2601      0.00000
     12      13.7408      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2921      2.00000
      2       1.1619      2.00000
      3       2.4148      2.00000
      4       3.4329      2.00000
      5       4.3554      2.00000
      6       6.0722      1.73823
      7       7.2625      0.00009
      8       9.5538      0.00000
      9      11.4834      0.00000
     10      12.5250      0.00000
     11      13.7610      0.00000
     12      14.0283      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.8847      2.00000
      2       1.4358      2.00000
      3       1.6823      2.00000
      4       3.4259      2.00000
      5       4.0929      2.00000
      6       6.1412      1.53803
      7       6.5947      0.06898
      8       9.0448      0.00000
      9      11.8939      0.00000
     10      13.7624      0.00000
     11      14.1454      0.00000
     12      14.1789      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.4480      2.00000
      2       0.8673      2.00000
      3       1.8368      2.00000
      4       3.1719      2.00000
      5       4.3406      2.00000
      6       5.7396      1.98924
      7       6.5297      0.12806
      8       8.8011      0.00000
      9      12.3001      0.00000
     10      13.4857      0.00000
     11      14.3482      0.00000
     12      14.5493      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6436      2.00000
      2      -0.2327      2.00000
      3       3.1478      2.00000
      4       4.5161      2.00000
      5       6.3384      0.63348
      6       7.2801      0.00008
      7       8.2606      0.00000
      8       9.5140      0.00000
      9      10.9067      0.00000
     10      11.2644      0.00000
     11      12.0459      0.00000
     12      12.7294      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6043      2.00000
      2      -0.1702      2.00000
      3       3.1881      2.00000
      4       4.5306      2.00000
      5       5.7712      1.98526
      6       6.8624      0.00490
      7       8.6847      0.00000
      8      10.2166      0.00000
      9      10.3403      0.00000
     10      11.3275      0.00000
     11      11.6906      0.00000
     12      12.9044      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4621      2.00000
      2      -0.0186      2.00000
      3       3.3240      2.00000
      4       4.4960      2.00000
      5       4.7227      2.00000
      6       6.1637      1.45363
      7       9.2920      0.00000
      8       9.8688      0.00000
      9      10.8244      0.00000
     10      11.1388      0.00000
     11      11.7598      0.00000
     12      13.5336      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2185      2.00000
      2       0.2174      2.00000
      3       3.5424      2.00000
      4       3.6585      2.00000
      5       4.3124      2.00000
      6       5.6846      1.99377
      7       8.2905      0.00000
      8       9.9900      0.00000
      9      11.2874      0.00000
     10      11.5952      0.00000
     11      12.5901      0.00000
     12      14.1682      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8770      2.00000
      2       0.5251      2.00000
      3       2.6961      2.00000
      4       3.6565      2.00000
      5       4.0117      2.00000
      6       5.6151      1.99689
      7       7.3607      0.00003
      8       9.3191      0.00000
      9      11.8840      0.00000
     10      12.7515      0.00000
     11      13.3186      0.00000
     12      15.0502      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.4466      2.00000
      2       0.8680      2.00000
      3       1.8355      2.00000
      4       3.1706      2.00000
      5       4.3420      2.00000
      6       5.7392      1.98927
      7       6.5288      0.12913
      8       8.8000      0.00000
      9      12.3014      0.00000
     10      13.4841      0.00000
     11      14.3467      0.00000
     12      14.5296      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.0342      2.00000
      2       1.0138      2.00000
      3       1.2359      2.00000
      4       2.8104      2.00000
      5       4.7789      2.00000
      6       5.7608      1.98671
      7       5.9494      1.91553
      8       8.5227      0.00000
      9      12.7502      0.00000
     10      13.6442      0.00000
     11      13.8137      0.00000
     12      15.8379      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0750      2.00000
      2       1.1378      2.00000
      3       1.8007      2.00000
      4       4.9170      2.00000
      5       5.8504      1.96774
      6       7.8107      0.00000
      7       9.0592      0.00000
      8       9.2871      0.00000
      9      10.5865      0.00000
     10      11.3626      0.00000
     11      11.9901      0.00000
     12      12.5644      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0425      2.00000
      2       1.2014      2.00000
      3       1.8575      2.00000
      4       4.8499      2.00000
      5       5.5954      1.99744
      6       8.0333      0.00000
      7       8.3550      0.00000
      8       8.9514      0.00000
      9      11.1388      0.00000
     10      11.7532      0.00000
     11      11.8628      0.00000
     12      12.2188      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9095      2.00000
      2       1.3660      2.00000
      3       1.9884      2.00000
      4       4.2431      2.00000
      5       5.3504      1.99978
      6       7.1212      0.00037
      7       8.0164      0.00000
      8       9.4749      0.00000
      9      10.9285      0.00000
     10      11.7550      0.00000
     11      12.3919      0.00000
     12      12.9584      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6781      2.00000
      2       1.6286      2.00000
      3       2.1719      2.00000
      4       3.3387      2.00000
      5       5.3995      1.99964
      6       6.1631      1.45567
      7       7.1938      0.00018
      8      10.0159      0.00000
      9      10.9684      0.00000
     10      12.0388      0.00000
     11      12.8446      0.00000
     12      13.9864      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.3530      2.00000
      2       1.9504      2.00000
      3       2.1983      2.00000
      4       2.7089      2.00000
      5       5.1201      1.99998
      6       5.5682      1.99805
      7       6.5845      0.07614
      8       9.3889      0.00000
      9      12.3137      0.00000
     10      12.3456      0.00000
     11      13.2826      0.00000
     12      14.7852      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.9481      2.00000
      2       1.4589      2.00000
      3       2.4653      2.00000
      4       2.8503      2.00000
      5       4.3629      2.00000
      6       5.2800      1.99989
      7       6.3995      0.40197
      8       8.9030      0.00000
      9      12.7135      0.00000
     10      13.1608      0.00000
     11      14.3360      0.00000
     12      14.9282      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.5233      2.00000
      2       0.8263      2.00000
      3       2.9225      2.00000
      4       3.0499      2.00000
      5       3.7272      2.00000
      6       4.9921      1.99999
      7       6.4245      0.32758
      8       8.6933      0.00000
      9      13.1448      0.00000
     10      13.5027      0.00000
     11      14.4459      0.00000
     12      15.6816      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6677      2.00000
      2       0.5829      2.00000
      3       1.9158      2.00000
      4       4.2100      2.00000
      5       6.2518      1.04847
      6       8.0000      0.00000
      7       8.5056      0.00000
      8       9.6004      0.00000
      9      10.2585      0.00000
     10      11.3997      0.00000
     11      12.0657      0.00000
     12      12.5230      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6371      2.00000
      2       0.6629      2.00000
      3       1.9504      2.00000
      4       4.2420      2.00000
      5       5.8744      1.95916
      6       7.4773      0.00001
      7       8.6446      0.00000
      8       9.2129      0.00000
      9      11.0849      0.00000
     10      11.1441      0.00000
     11      12.0956      0.00000
     12      12.6804      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5052      2.00000
      2       0.8394      2.00000
      3       2.0714      2.00000
      4       4.2152      2.00000
      5       4.9870      1.99999
      6       6.5787      0.08050
      7       8.2343      0.00000
      8       9.7193      0.00000
      9      10.4590      0.00000
     10      12.1958      0.00000
     11      12.8848      0.00000
     12      13.2180      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2738      2.00000
      2       1.1094      2.00000
      3       2.2688      2.00000
      4       3.6515      2.00000
      5       4.6079      2.00000
      6       5.7501      1.98805
      7       7.2672      0.00009
      8       9.5180      0.00000
      9      11.3029      0.00000
     10      12.7184      0.00000
     11      13.8967      0.00000
     12      14.0716      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.9471      2.00000
      2       1.4624      2.00000
      3       2.4641      2.00000
      4       2.8483      2.00000
      5       4.3628      2.00000
      6       5.2798      1.99989
      7       6.3971      0.40996
      8       8.9013      0.00000
      9      12.6967      0.00000
     10      13.1603      0.00000
     11      14.3568      0.00000
     12      14.9271      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.5368      2.00000
      2       1.8010      2.00000
      3       1.9535      2.00000
      4       2.9065      2.00000
      5       3.8485      2.00000
      6       5.1831      1.99996
      7       5.7372      1.98949
      8       8.4419      0.00000
      9      13.3906      0.00000
     10      14.2531      0.00000
     11      14.8585      0.00000
     12      15.2985      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0927      2.00000
      2       1.1956      2.00000
      3       2.1937      2.00000
      4       3.1529      2.00000
      5       3.5077      2.00000
      6       4.8683      2.00000
      7       5.5849      1.99770
      8       8.2284      0.00000
      9      13.8236      0.00000
     10      14.7191      0.00000
     11      15.0740      0.00000
     12      15.7649      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2825      2.00000
      2       0.0346      2.00000
      3       2.1935      2.00000
      4       3.7210      2.00000
      5       6.6696      0.03322
      6       7.6151      0.00000
      7       8.6065      0.00000
      8       9.7682      0.00000
      9      10.0493      0.00000
     10      11.1333      0.00000
     11      11.9618      0.00000
     12      12.7982      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2443      2.00000
      2       0.0993      2.00000
      3       2.2358      2.00000
      4       3.7507      2.00000
      5       6.1127      1.63150
      6       7.1406      0.00030
      7       8.9922      0.00000
      8       9.4246      0.00000
      9      10.5097      0.00000
     10      10.9739      0.00000
     11      12.3576      0.00000
     12      12.8580      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1034      2.00000
      2       0.2571      2.00000
      3       2.3762      2.00000
      4       3.8046      2.00000
      5       5.0558      1.99999
      6       6.3025      0.79811
      7       8.3714      0.00000
      8       9.8991      0.00000
      9      10.4008      0.00000
     10      11.9197      0.00000
     11      13.0380      0.00000
     12      13.4665      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8612      2.00000
      2       0.5038      2.00000
      3       2.6105      2.00000
      4       3.8136      2.00000
      5       4.0430      2.00000
      6       5.5061      1.99895
      7       7.3584      0.00003
      8       9.3094      0.00000
      9      11.6824      0.00000
     10      12.9710      0.00000
     11      13.5208      0.00000
     12      14.7037      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.5210      2.00000
      2       0.8283      2.00000
      3       2.9246      2.00000
      4       3.0469      2.00000
      5       3.7262      2.00000
      6       4.9905      1.99999
      7       6.4220      0.33455
      8       8.6907      0.00000
      9      13.1273      0.00000
     10      13.5017      0.00000
     11      14.4397      0.00000
     12      15.6706      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0913      2.00000
      2       1.1965      2.00000
      3       2.1924      2.00000
      4       3.1524      2.00000
      5       3.5085      2.00000
      6       4.8676      2.00000
      7       5.5840      1.99772
      8       8.2274      0.00000
      9      13.8244      0.00000
     10      14.7045      0.00000
     11      15.0673      0.00000
     12      15.7630      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.3908      2.00000
      2       1.3650      2.00000
      3       1.6015      2.00000
      4       2.9061      2.00000
      5       3.8432      2.00000
      6       4.8222      2.00000
      7       4.9896      1.99999
      8       7.9870      0.00000
      9      14.2818      0.00000
     10      15.1395      0.00000
     11      15.2824      0.00000
     12      16.1655      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2469      2.00000
      2       0.7172      2.00000
      3       1.2976      2.00000
      4       3.5217      2.00000
      5       6.6631      0.03542
      6       8.3971      0.00000
      7       8.7850      0.00000
      8       8.8861      0.00000
      9      10.2560      0.00000
     10      10.8719      0.00000
     11      11.4076      0.00000
     12      13.5878      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2172      2.00000
      2       0.7761      2.00000
      3       1.3585      2.00000
      4       3.5671      2.00000
      5       6.2732      0.94178
      6       7.8000      0.00000
      7       8.4236      0.00000
      8       8.9790      0.00000
      9      10.3588      0.00000
     10      11.0775      0.00000
     11      12.0303      0.00000
     12      13.9049      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0855      2.00000
      2       0.9370      2.00000
      3       1.5075      2.00000
      4       3.6438      2.00000
      5       5.2861      1.99988
      6       6.7807      0.01106
      7       7.4817      0.00001
      8       9.5634      0.00000
      9      10.3592      0.00000
     10      12.2182      0.00000
     11      13.1992      0.00000
     12      14.0209      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.8533      2.00000
      2       1.1979      2.00000
      3       1.7380      2.00000
      4       3.6572      2.00000
      5       4.3873      2.00000
      6       5.7880      1.98259
      7       6.5351      0.12182
      8       8.9698      0.00000
      9      11.6887      0.00000
     10      13.4847      0.00000
     11      14.1904      0.00000
     12      14.4899      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.5242      2.00000
      2       1.5537      2.00000
      3       2.0324      2.00000
      4       3.1253      2.00000
      5       4.1185      2.00000
      6       4.8868      2.00000
      7       5.6866      1.99365
      8       8.4010      0.00000
      9      13.1841      0.00000
     10      14.2720      0.00000
     11      14.9627      0.00000
     12      15.1549      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.1083      2.00000
      2       1.9617      2.00000
      3       2.2663      2.00000
      4       2.4620      2.00000
      5       3.9390      2.00000
      6       4.3191      2.00000
      7       5.0138      1.99999
      8       7.9914      0.00000
      9      14.6562      0.00000
     10      14.6778      0.00000
     11      15.5300      0.00000
     12      15.9764      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.3502      2.00000
      2       1.5838      2.00000
      3       2.5012      2.00000
      4       2.6425      2.00000
      5       3.3397      2.00000
      6       4.1888      2.00000
      7       4.7388      2.00000
      8       7.8039      0.00000
      9      15.0801      0.00000
     10      15.4888      0.00000
     11      16.2241      0.00000
     12      16.6015      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8309      2.00000
      2       0.3265      2.00000
      3       1.3455      2.00000
      4       3.0697      2.00000
      5       7.0816      0.00055
      6       8.0200      0.00000
      7       9.0247      0.00000
      8       9.1598      0.00000
      9      10.0384      0.00000
     10      10.3515      0.00000
     11      11.1852      0.00000
     12      13.4878      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7948      2.00000
      2       0.3938      2.00000
      3       1.3917      2.00000
      4       3.1024      2.00000
      5       6.5428      0.11330
      6       7.4628      0.00001
      7       8.5836      0.00000
      8       9.3647      0.00000
      9      10.1219      0.00000
     10      10.8937      0.00000
     11      11.7385      0.00000
     12      13.9974      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6560      2.00000
      2       0.5602      2.00000
      3       1.5370      2.00000
      4       3.1751      2.00000
      5       5.4934      1.99908
      6       6.5159      0.14562
      7       7.5447      0.00001
      8       9.4102      0.00000
      9      10.6898      0.00000
     10      12.2169      0.00000
     11      12.8905      0.00000
     12      14.5516      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4160      2.00000
      2       0.8227      2.00000
      3       1.7782      2.00000
      4       3.2729      2.00000
      5       4.4646      2.00000
      6       5.5703      1.99801
      7       6.5237      0.13549
      8       8.7795      0.00000
      9      12.0832      0.00000
     10      13.6299      0.00000
     11      14.2214      0.00000
     12      14.8130      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0776      2.00000
      2       1.1736      2.00000
      3       2.1073      2.00000
      4       3.3271      2.00000
      5       3.5465      2.00000
      6       4.7439      2.00000
      7       5.5812      1.99778
      8       8.2162      0.00000
      9      13.5836      0.00000
     10      14.8849      0.00000
     11      15.2732      0.00000
     12      15.6057      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.3515      2.00000
      2       1.5850      2.00000
      3       2.5023      2.00000
      4       2.6412      2.00000
      5       3.3391      2.00000
      6       4.1873      2.00000
      7       4.7379      2.00000
      8       7.8030      0.00000
      9      15.0618      0.00000
     10      15.4895      0.00000
     11      16.2191      0.00000
     12      16.6146      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.8373      2.00000
      2       1.7996      2.00000
      3       2.0673      2.00000
      4       2.8712      2.00000
      5       3.1323      2.00000
      6       3.9910      2.00000
      7       4.1245      2.00000
      8       7.5922      0.00000
      9      15.8034      0.00000
     10      16.5114      0.00000
     11      16.6072      0.00000
     12      16.7075      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3466      2.00000
      2       0.5060      2.00000
      3       0.7079      2.00000
      4       2.6636      2.00000
      5       7.5084      0.00001
      6       8.4005      0.00000
      7       8.5461      0.00000
      8       9.4399      0.00000
      9       9.7229      0.00000
     10      10.2162      0.00000
     11      10.5504      0.00000
     12      13.3798      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3157      2.00000
      2       0.5602      2.00000
      3       0.7774      2.00000
      4       2.6942      2.00000
      5       7.0108      0.00111
      6       7.7232      0.00000
      7       7.9243      0.00000
      8       9.5236      0.00000
      9       9.8645      0.00000
     10      10.8560      0.00000
     11      11.3977      0.00000
     12      13.8493      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1820      2.00000
      2       0.7167      2.00000
      3       0.9502      2.00000
      4       2.7647      2.00000
      5       5.9770      1.89016
      6       6.6824      0.02929
      7       6.8659      0.00473
      8       9.0719      0.00000
      9      11.0465      0.00000
     10      12.0579      0.00000
     11      12.7328      0.00000
     12      14.8319      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.0538      2.00000
      2       0.9744      2.00000
      3       1.2234      2.00000
      4       2.8674      2.00000
      5       4.9557      2.00000
      6       5.6586      1.99520
      7       5.8347      1.97236
      8       8.4788      0.00000
      9      12.4683      0.00000
     10      13.4433      0.00000
     11      14.1864      0.00000
     12      16.0397      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.3897      2.00000
      2       1.3301      2.00000
      3       1.5902      2.00000
      4       2.9871      2.00000
      5       4.0121      2.00000
      6       4.7174      2.00000
      7       4.8853      2.00000
      8       7.9561      0.00000
      9      13.9802      0.00000
     10      14.8886      0.00000
     11      15.6750      0.00000
     12      16.2499      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.8201      2.00000
      2       1.7742      2.00000
      3       2.0265      2.00000
      4       3.0626      2.00000
      5       3.2142      2.00000
      6       3.8861      2.00000
      7       4.0382      2.00000
      8       7.5751      0.00000
      9      15.5199      0.00000
     10      16.2912      0.00000
     11      16.5908      0.00000
     12      17.0894      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.3179      2.00000
      2       2.2187      2.00000
      3       2.3083      2.00000
      4       2.6131      2.00000
      5       3.1088      2.00000
      6       3.3385      2.00000
      7       3.3783      2.00000
      8       7.3817      0.00003
      9      16.9262      0.00000
     10      16.9555      0.00000
     11      17.4315      0.00000
     12      17.8729      0.00000

 k-point   197 :      -0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0546      2.00000
      2      -0.5827      2.00000
      3       5.0823      1.99998
      4       6.0105      1.84968
      5       6.4990      0.17028
      6       7.0709      0.00061
      7       7.6631      0.00000
      8       8.2776      0.00000
      9       8.5187      0.00000
     10      11.4521      0.00000
     11      12.9161      0.00000
     12      13.9724      0.00000

 k-point   198 :      -0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.3996      2.00000
      2      -0.0538      2.00000
      3       4.6623      2.00000
      4       5.5908      1.99756
      5       6.8650      0.00478
      6       7.6809      0.00000
      7       7.7428      0.00000
      8       8.0502      0.00000
      9       9.0631      0.00000
     10      11.5455      0.00000
     11      12.5311      0.00000
     12      12.9972      0.00000

 k-point   199 :      -0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.7917      2.00000
      2       0.7140      2.00000
      3       4.2921      2.00000
      4       5.1711      1.99996
      5       6.7306      0.01819
      6       7.8001      0.00000
      7       8.3647      0.00000
      8       8.4902      0.00000
      9       9.8285      0.00000
     10      11.3463      0.00000
     11      11.9628      0.00000
     12      12.1848      0.00000

 k-point   200 :      -0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1240      2.00000
      2       1.6073      2.00000
      3       4.0083      2.00000
      4       4.8306      2.00000
      5       6.4458      0.27344
      6       7.5543      0.00000
      7       9.2602      0.00000
      8       9.4173      0.00000
      9       9.9417      0.00000
     10      10.6568      0.00000
     11      11.9198      0.00000
     12      12.2689      0.00000

 k-point   201 :      -0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3702      2.00000
      2       2.5794      2.00000
      3       3.8276      2.00000
      4       4.5826      2.00000
      5       6.1919      1.33454
      6       7.2077      0.00016
      7       8.6871      0.00000
      8      10.2963      0.00000
      9      10.4378      0.00000
     10      11.4599      0.00000
     11      11.7577      0.00000
     12      12.6538      0.00000

 k-point   202 :      -0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5220      2.00000
      2       3.4638      2.00000
      3       3.8645      2.00000
      4       4.4311      2.00000
      5       5.9638      1.90310
      6       6.5540      0.10192
      7       7.9947      0.00000
      8      11.3522      0.00000
      9      11.3919      0.00000
     10      11.8547      0.00000
     11      11.8972      0.00000
     12      12.7773      0.00000

 k-point   203 :      -0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.8865      2.00000
      2      -0.4725      2.00000
      3       4.0288      2.00000
      4       5.6000      1.99732
      5       6.1707      1.42509
      6       7.1983      0.00017
      7       7.8454      0.00000
      8       8.9646      0.00000
      9       9.7855      0.00000
     10      11.8070      0.00000
     11      11.9683      0.00000
     12      13.2754      0.00000

 k-point   204 :      -0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2282      2.00000
      2       0.0402      2.00000
      3       3.6338      2.00000
      4       5.7586      1.98699
      5       6.1783      1.39376
      6       7.7369      0.00000
      7       7.7901      0.00000
      8       9.0634      0.00000
      9       9.9768      0.00000
     10      11.4144      0.00000
     11      11.9786      0.00000
     12      12.7055      0.00000

 k-point   205 :      -0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6247      2.00000
      2       0.7947      2.00000
      3       3.2834      2.00000
      4       5.3363      1.99981
      5       6.6131      0.05774
      6       7.8173      0.00000
      7       8.5900      0.00000
      8       8.9632      0.00000
      9      10.4856      0.00000
     10      11.0621      0.00000
     11      11.5082      0.00000
     12      12.1847      0.00000

 k-point   206 :      -0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9620      2.00000
      2       1.6572      2.00000
      3       3.0335      2.00000
      4       4.9916      1.99999
      5       6.6125      0.05805
      6       8.4271      0.00000
      7       8.7289      0.00000
      8       9.5013      0.00000
      9      10.1120      0.00000
     10      10.8004      0.00000
     11      11.1510      0.00000
     12      12.4302      0.00000

 k-point   207 :      -0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2133      2.00000
      2       2.4350      2.00000
      3       3.0480      2.00000
      4       4.7392      2.00000
      5       6.4414      0.28400
      6       8.1522      0.00000
      7       8.9974      0.00000
      8       9.4495      0.00000
      9      10.3622      0.00000
     10      10.7875      0.00000
     11      11.6572      0.00000
     12      12.5546      0.00000

 k-point   208 :      -0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3699      2.00000
      2       2.5887      2.00000
      3       3.8168      2.00000
      4       4.5829      2.00000
      5       6.1883      1.35075
      6       7.2014      0.00017
      7       8.7000      0.00000
      8      10.2951      0.00000
      9      10.4474      0.00000
     10      11.4604      0.00000
     11      11.7464      0.00000
     12      12.6506      0.00000

 k-point   209 :      -0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6150      2.00000
      2      -0.2855      2.00000
      3       3.0231      2.00000
      4       4.6915      2.00000
      5       6.4252      0.32569
      6       7.4224      0.00002
      7       8.1001      0.00000
      8       9.4261      0.00000
      9      10.7954      0.00000
     10      11.2394      0.00000
     11      12.3746      0.00000
     12      12.5934      0.00000

 k-point   210 :      -0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.9575      2.00000
      2       0.2088      2.00000
      3       2.6621      2.00000
      4       5.3027      1.99986
      5       6.0220      1.83293
      6       7.9294      0.00000
      7       7.9938      0.00000
      8       9.6841      0.00000
      9      10.3997      0.00000
     10      11.2618      0.00000
     11      11.9813      0.00000
     12      13.0215      0.00000

 k-point   211 :      -0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.3609      2.00000
      2       0.9267      2.00000
      3       2.3562      2.00000
      4       5.5974      1.99739
      5       5.9986      1.86543
      6       7.7296      0.00000
      7       8.7773      0.00000
      8       9.9942      0.00000
      9      10.0493      0.00000
     10      11.1649      0.00000
     11      11.4082      0.00000
     12      12.7256      0.00000

 k-point   212 :      -0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7046      2.00000
      2       1.5732      2.00000
      3       2.3241      2.00000
      4       5.2489      1.99992
      5       6.5240      0.13506
      6       7.8177      0.00000
      7       9.5369      0.00000
      8       9.8297      0.00000
      9       9.9270      0.00000
     10      10.4546      0.00000
     11      11.2230      0.00000
     12      12.4570      0.00000

 k-point   213 :      -0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9615      2.00000
      2       1.6641      2.00000
      3       3.0252      2.00000
      4       4.9921      1.99999
      5       6.6123      0.05820
      6       8.4230      0.00000
      7       8.7179      0.00000
      8       9.5090      0.00000
      9      10.1296      0.00000
     10      10.7914      0.00000
     11      11.1514      0.00000
     12      12.4208      0.00000

 k-point   214 :      -0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1231      2.00000
      2       1.6154      2.00000
      3       3.9972      2.00000
      4       4.8314      2.00000
      5       6.4427      0.28076
      6       7.5433      0.00001
      7       9.2577      0.00000
      8       9.4256      0.00000
      9       9.9620      0.00000
     10      10.6553      0.00000
     11      11.9085      0.00000
     12      12.2657      0.00000

 k-point   215 :      -0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2424      2.00000
      2      -0.0410      2.00000
      3       2.1093      2.00000
      4       3.8631      2.00000
      5       6.7708      0.01220
      6       7.7348      0.00000
      7       8.4550      0.00000
      8       9.6952      0.00000
      9       9.8919      0.00000
     10      11.6219      0.00000
     11      11.6234      0.00000
     12      12.7952      0.00000

 k-point   216 :      -0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.5937      2.00000
      2       0.4154      2.00000
      3       1.8175      2.00000
      4       4.4572      2.00000
      5       6.3765      0.48107
      6       8.2383      0.00000
      7       8.2804      0.00000
      8       9.5014      0.00000
      9       9.9519      0.00000
     10      11.4487      0.00000
     11      12.3131      0.00000
     12      12.7308      0.00000

 k-point   217 :      -0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0083      2.00000
      2       0.9161      2.00000
      3       1.7448      2.00000
      4       5.2054      1.99995
      5       5.9500      1.91499
      6       7.9388      0.00000
      7       8.9176      0.00000
      8       9.2837      0.00000
      9      10.2550      0.00000
     10      11.2763      0.00000
     11      12.2153      0.00000
     12      13.0856      0.00000

 k-point   218 :      -0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.3601      2.00000
      2       0.9314      2.00000
      3       2.3503      2.00000
      4       5.5982      1.99737
      5       5.9973      1.86703
      6       7.7300      0.00000
      7       8.7828      0.00000
      8       9.9881      0.00000
      9      10.0428      0.00000
     10      11.1526      0.00000
     11      11.4183      0.00000
     12      12.7305      0.00000

 k-point   219 :      -0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6233      2.00000
      2       0.8007      2.00000
      3       3.2749      2.00000
      4       5.3375      1.99981
      5       6.6120      0.05837
      6       7.8158      0.00000
      7       8.5962      0.00000
      8       8.9499      0.00000
      9      10.4828      0.00000
     10      11.0534      0.00000
     11      11.5259      0.00000
     12      12.1763      0.00000

 k-point   220 :      -0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       0.7204      2.00000
      3       4.2815      2.00000
      4       5.1726      1.99996
      5       6.7290      0.01848
      6       7.7877      0.00000
      7       8.3606      0.00000
      8       8.4968      0.00000
      9       9.8250      0.00000
     10      11.3668      0.00000
     11      11.9609      0.00000
     12      12.1741      0.00000

 k-point   221 :      -0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.7773      2.00000
      2       0.2025      2.00000
      3       1.3323      2.00000
      4       3.1687      2.00000
      5       7.1961      0.00017
      6       8.1036      0.00000
      7       8.9038      0.00000
      8       9.1235      0.00000
      9       9.8157      0.00000
     10      10.7796      0.00000
     11      10.9359      0.00000
     12      13.5114      0.00000

 k-point   222 :      -0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.1580      2.00000
      2       0.4742      2.00000
      3       1.2940      2.00000
      4       3.7159      2.00000
      5       6.8055      0.00864
      6       8.5047      0.00000
      7       8.6136      0.00000
      8       8.8688      0.00000
      9       9.9469      0.00000
     10      11.0696      0.00000
     11      11.4566      0.00000
     12      13.7071      0.00000

 k-point   223 :      -0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.5925      2.00000
      2       0.4179      2.00000
      3       1.8140      2.00000
      4       4.4558      2.00000
      5       6.3775      0.47722
      6       8.2396      0.00000
      7       8.2835      0.00000
      8       9.4976      0.00000
      9       9.9517      0.00000
     10      11.4464      0.00000
     11      12.3113      0.00000
     12      12.7121      0.00000

 k-point   224 :      -0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.9556      2.00000
      2       0.2124      2.00000
      3       2.6563      2.00000
      4       5.2997      1.99987
      5       6.0238      1.83020
      6       7.9314      0.00000
      7       7.9977      0.00000
      8       9.6821      0.00000
      9      10.3939      0.00000
     10      11.2444      0.00000
     11      11.9767      0.00000
     12      13.0127      0.00000

 k-point   225 :      -0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2257      2.00000
      2       0.0445      2.00000
      3       3.6259      2.00000
      4       5.7609      1.98670
      5       6.1744      1.41016
      6       7.7385      0.00000
      7       7.7947      0.00000
      8       9.0552      0.00000
      9       9.9654      0.00000
     10      11.4067      0.00000
     11      11.9686      0.00000
     12      12.7121      0.00000

 k-point   226 :      -0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.3968      2.00000
      2      -0.0492      2.00000
      3       4.6526      2.00000
      4       5.5933      1.99750
      5       6.8625      0.00490
      6       7.6857      0.00000
      7       7.7405      0.00000
      8       8.0376      0.00000
      9       9.0567      0.00000
     10      11.5418      0.00000
     11      12.5215      0.00000
     12      13.0140      0.00000

 k-point   227 :      -0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.2905      2.00000
      2       0.2523      2.00000
      3       0.8716      2.00000
      4       2.7052      2.00000
      5       7.6181      0.00000
      6       8.2983      0.00000
      7       8.7306      0.00000
      8       9.3864      0.00000
      9       9.7628      0.00000
     10      10.1421      0.00000
     11      10.4504      0.00000
     12      13.3689      0.00000

 k-point   228 :      -0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.7755      2.00000
      2       0.2026      2.00000
      3       1.3311      2.00000
      4       3.1675      2.00000
      5       7.1978      0.00017
      6       8.1036      0.00000
      7       8.9057      0.00000
      8       9.1227      0.00000
      9       9.8146      0.00000
     10      10.7780      0.00000
     11      10.9349      0.00000
     12      13.5093      0.00000

 k-point   229 :      -0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2397      2.00000
      2      -0.0398      2.00000
      3       2.1062      2.00000
      4       3.8604      2.00000
      5       6.7735      0.01188
      6       7.7360      0.00000
      7       8.4579      0.00000
      8       9.6940      0.00000
      9       9.8892      0.00000
     10      11.6184      0.00000
     11      11.6206      0.00000
     12      12.7751      0.00000

 k-point   230 :      -0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6116      2.00000
      2      -0.2835      2.00000
      3       3.0181      2.00000
      4       4.6872      2.00000
      5       6.4286      0.31670
      6       7.4244      0.00002
      7       8.1036      0.00000
      8       9.4239      0.00000
      9      10.7910      0.00000
     10      11.2207      0.00000
     11      12.3681      0.00000
     12      12.5880      0.00000

 k-point   231 :      -0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.8826      2.00000
      2      -0.4699      2.00000
      3       4.0219      2.00000
      4       5.5941      1.99748
      5       6.1745      1.40956
      6       7.2010      0.00017
      7       7.8493      0.00000
      8       8.9599      0.00000
      9       9.7689      0.00000
     10      11.8006      0.00000
     11      11.9576      0.00000
     12      13.2711      0.00000

 k-point   232 :      -0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0504      2.00000
      2      -0.5798      2.00000
      3       5.0736      1.99999
      4       6.0145      1.84403
      5       6.4920      0.18142
      6       7.0739      0.00059
      7       7.6657      0.00000
      8       8.2710      0.00000
      9       8.5047      0.00000
     10      11.4464      0.00000
     11      12.9079      0.00000
     12      13.9689      0.00000

 k-point   233 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5761      2.00000
      2       3.6402      2.00000
      3       4.3067      2.00000
      4       4.4590      2.00000
      5       5.6174      1.99682
      6       6.1563      1.48220
      7       7.8066      0.00000
      8      11.4530      0.00000
      9      11.6518      0.00000
     10      12.1821      0.00000
     11      12.2481      0.00000
     12      12.7294      0.00000

 k-point   234 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5267      2.00000
      2       3.5598      2.00000
      3       3.8322      2.00000
      4       4.4453      2.00000
      5       5.9503      1.91481
      6       6.5032      0.16381
      7       7.9581      0.00000
      8      10.8017      0.00000
      9      11.2832      0.00000
     10      11.7538      0.00000
     11      12.4920      0.00000
     12      12.9051      0.00000

 k-point   235 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3795      2.00000
      2       2.6424      2.00000
      3       3.8791      2.00000
      4       4.5829      2.00000
      5       6.1644      1.45081
      6       7.1342      0.00032
      7       8.6192      0.00000
      8       9.7929      0.00000
      9      10.3088      0.00000
     10      11.8198      0.00000
     11      12.0117      0.00000
     12      12.9039      0.00000

 k-point   236 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.1376      2.00000
      2       1.6588      2.00000
      3       4.1129      2.00000
      4       4.8168      2.00000
      5       6.4141      0.35708
      6       7.4383      0.00002
      7       8.7957      0.00000
      8       9.3052      0.00000
      9       9.9270      0.00000
     10      11.1249      0.00000
     11      12.0591      0.00000
     12      12.5565      0.00000

 k-point   237 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.8091      2.00000
      2       0.7576      2.00000
      3       4.4413      2.00000
      4       5.1409      1.99997
      5       6.7072      0.02294
      6       7.5846      0.00000
      7       7.9802      0.00000
      8       8.4745      0.00000
      9      10.2478      0.00000
     10      11.3355      0.00000
     11      12.1049      0.00000
     12      12.4270      0.00000

 k-point   238 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.4187      2.00000
      2      -0.0193      2.00000
      3       4.8452      2.00000
      4       5.5433      1.99848
      5       6.7675      0.01261
      6       7.3195      0.00005
      7       7.7253      0.00000
      8       7.9599      0.00000
      9       9.4390      0.00000
     10      11.6511      0.00000
     11      12.6525      0.00000
     12      13.1780      0.00000

 k-point   239 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5664      2.00000
      3       5.2466      1.99992
      4       5.9579      1.90838
      5       6.3442      0.60855
      6       6.8958      0.00351
      7       7.8026      0.00000
      8       8.1318      0.00000
      9       8.7363      0.00000
     10      11.4760      0.00000
     11      13.0490      0.00000
     12      13.9803      0.00000

 k-point   240 :      -0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0020      2.00000
      2      -0.5399      2.00000
      3       5.1167      1.99998
      4       5.3068      1.99986
      5       6.2774      0.92059
      6       6.8539      0.00533
      7       8.2951      0.00000
      8       8.6530      0.00000
      9       8.8160      0.00000
     10      11.5573      0.00000
     11      12.2330      0.00000
     12      14.0643      0.00000

 k-point   241 :      -0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3486      2.00000
      2      -0.0098      2.00000
      3       4.6582      2.00000
      4       4.9726      1.99999
      5       6.9128      0.00296
      6       7.3284      0.00005
      7       8.1364      0.00000
      8       8.3208      0.00000
      9       9.4960      0.00000
     10      11.5583      0.00000
     11      11.9507      0.00000
     12      13.3011      0.00000

 k-point   242 :      -0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7416      2.00000
      2       0.7580      2.00000
      3       4.2551      2.00000
      4       4.6173      2.00000
      5       7.3077      0.00006
      6       7.6285      0.00000
      7       8.1692      0.00000
      8       8.5628      0.00000
      9      10.2627      0.00000
     10      11.2175      0.00000
     11      11.6062      0.00000
     12      12.3670      0.00000

 k-point   243 :      -0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0742      2.00000
      2       1.6497      2.00000
      3       3.9403      2.00000
      4       4.3256      2.00000
      5       7.0371      0.00086
      6       7.6586      0.00000
      7       8.8340      0.00000
      8       9.3471      0.00000
      9       9.9738      0.00000
     10      11.0561      0.00000
     11      11.3012      0.00000
     12      12.6199      0.00000

 k-point   244 :      -0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3208      2.00000
      2       2.6172      2.00000
      3       3.7208      2.00000
      4       4.1272      2.00000
      5       6.7734      0.01189
      6       7.3455      0.00004
      7       8.7185      0.00000
      8       9.8033      0.00000
      9      10.3337      0.00000
     10      11.1379      0.00000
     11      11.8289      0.00000
     12      13.0139      0.00000

 k-point   245 :      -0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4726      2.00000
      2       3.5139      2.00000
      3       3.6165      2.00000
      4       4.0978      2.00000
      5       6.5846      0.07607
      6       6.6051      0.06237
      7       8.1099      0.00000
      8      10.6629      0.00000
      9      11.0372      0.00000
     10      11.5346      0.00000
     11      12.1085      0.00000
     12      13.0631      0.00000

 k-point   246 :      -0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8339      2.00000
      2      -0.4291      2.00000
      3       4.0734      2.00000
      4       5.3570      1.99976
      5       5.7147      1.99160
      6       6.7770      0.01148
      7       8.6102      0.00000
      8       9.4723      0.00000
      9       9.8382      0.00000
     10      11.1150      0.00000
     11      12.0431      0.00000
     12      13.2036      0.00000

 k-point   247 :      -0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.1772      2.00000
      2       0.0850      2.00000
      3       3.6713      2.00000
      4       5.0661      1.99999
      5       6.3480      0.59273
      6       7.2297      0.00012
      7       8.3889      0.00000
      8       9.4476      0.00000
      9      10.2179      0.00000
     10      10.7242      0.00000
     11      12.1856      0.00000
     12      13.1682      0.00000

 k-point   248 :      -0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.5744      2.00000
      2       0.8400      2.00000
      3       3.3140      2.00000
      4       4.7015      2.00000
      5       7.0232      0.00098
      6       7.8498      0.00000
      7       8.2402      0.00000
      8       9.2686      0.00000
      9      10.3532      0.00000
     10      10.9150      0.00000
     11      11.7621      0.00000
     12      12.4988      0.00000

 k-point   249 :      -0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9122      2.00000
      2       1.7029      2.00000
      3       3.0549      2.00000
      4       4.3905      2.00000
      5       7.2664      0.00009
      6       8.4764      0.00000
      7       8.5325      0.00000
      8       9.2245      0.00000
      9       9.8476      0.00000
     10      10.6439      0.00000
     11      11.6697      0.00000
     12      12.7974      0.00000

 k-point   250 :      -0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1637      2.00000
      2       2.4862      2.00000
      3       3.0459      2.00000
      4       4.1678      2.00000
      5       7.1225      0.00036
      6       8.1833      0.00000
      7       8.9978      0.00000
      8       9.3879      0.00000
      9       9.7087      0.00000
     10      10.4947      0.00000
     11      12.1627      0.00000
     12      12.9918      0.00000

 k-point   251 :      -0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3204      2.00000
      2       2.6266      2.00000
      3       3.7138      2.00000
      4       4.1234      2.00000
      5       6.7645      0.01299
      6       7.3453      0.00004
      7       8.7311      0.00000
      8       9.8109      0.00000
      9      10.3316      0.00000
     10      11.1287      0.00000
     11      11.8269      0.00000
     12      13.0198      0.00000

 k-point   252 :      -0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5624      2.00000
      2      -0.2410      2.00000
      3       3.0702      2.00000
      4       4.6851      2.00000
      5       5.7710      1.98529
      6       6.9489      0.00207
      7       8.8700      0.00000
      8       9.9190      0.00000
      9      10.2137      0.00000
     10      11.2987      0.00000
     11      11.9722      0.00000
     12      12.9913      0.00000

 k-point   253 :      -0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9064      2.00000
      2       0.2550      2.00000
      3       2.7042      2.00000
      4       5.0912      1.99998
      5       5.6790      1.99412
      6       7.4169      0.00002
      7       8.6301      0.00000
      8       9.7530      0.00000
      9      10.3203      0.00000
     10      11.3399      0.00000
     11      12.5596      0.00000
     12      12.6399      0.00000

 k-point   254 :      -0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3106      2.00000
      2       0.9746      2.00000
      3       2.3931      2.00000
      4       4.9096      2.00000
      5       6.2407      1.10353
      6       8.0636      0.00000
      7       8.3717      0.00000
      8       9.4624      0.00000
      9      10.4605      0.00000
     10      11.5001      0.00000
     11      11.8278      0.00000
     12      12.9143      0.00000

 k-point   255 :      -0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6546      2.00000
      2       1.6249      2.00000
      3       2.3521      2.00000
      4       4.6158      2.00000
      5       6.9508      0.00203
      6       8.1342      0.00000
      7       8.7800      0.00000
      8       9.3484      0.00000
      9      10.0689      0.00000
     10      10.8213      0.00000
     11      11.8235      0.00000
     12      12.7981      0.00000

 k-point   256 :      -0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9117      2.00000
      2       1.7099      2.00000
      3       3.0466      2.00000
      4       4.3909      2.00000
      5       7.2658      0.00009
      6       8.4785      0.00000
      7       8.5230      0.00000
      8       9.2243      0.00000
      9       9.8508      0.00000
     10      10.6497      0.00000
     11      11.6696      0.00000
     12      12.7911      0.00000

 k-point   257 :      -0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0734      2.00000
      2       1.6578      2.00000
      3       3.9326      2.00000
      4       4.3228      2.00000
      5       7.0294      0.00092
      6       7.6536      0.00000
      7       8.8399      0.00000
      8       9.3454      0.00000
      9       9.9909      0.00000
     10      11.0513      0.00000
     11      11.2948      0.00000
     12      12.6212      0.00000

 k-point   258 :      -0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.1900      2.00000
      2       0.0055      2.00000
      3       2.1575      2.00000
      4       3.8802      2.00000
      5       6.1057      1.65215
      6       7.2107      0.00015
      7       9.1982      0.00000
      8       9.2713      0.00000
      9      10.2830      0.00000
     10      11.2128      0.00000
     11      12.3379      0.00000
     12      12.8535      0.00000

 k-point   259 :      -0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.5425      2.00000
      2       0.4643      2.00000
      3       1.8603      2.00000
      4       4.4539      2.00000
      5       5.8045      1.97949
      6       7.6664      0.00000
      7       8.8470      0.00000
      8       9.0312      0.00000
      9      10.6709      0.00000
     10      11.7066      0.00000
     11      12.1420      0.00000
     12      12.8023      0.00000

 k-point   260 :      -0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.9577      2.00000
      2       0.9680      2.00000
      3       1.7817      2.00000
      4       4.9971      1.99999
      5       5.6358      1.99617
      6       8.1985      0.00000
      7       8.4932      0.00000
      8       8.9120      0.00000
      9      11.0067      0.00000
     10      11.7859      0.00000
     11      12.2999      0.00000
     12      12.4802      0.00000

 k-point   261 :      -0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3098      2.00000
      2       0.9794      2.00000
      3       2.3871      2.00000
      4       4.9102      2.00000
      5       6.2395      1.10972
      6       8.0678      0.00000
      7       8.3718      0.00000
      8       9.4572      0.00000
      9      10.4493      0.00000
     10      11.4969      0.00000
     11      11.8392      0.00000
     12      12.9138      0.00000

 k-point   262 :      -0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5731      2.00000
      2       0.8460      2.00000
      3       3.3055      2.00000
      4       4.7025      2.00000
      5       7.0211      0.00100
      6       7.8546      0.00000
      7       8.2377      0.00000
      8       9.2559      0.00000
      9      10.3466      0.00000
     10      10.9129      0.00000
     11      11.7816      0.00000
     12      12.4920      0.00000

 k-point   263 :      -0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7399      2.00000
      2       0.7645      2.00000
      3       4.2473      2.00000
      4       4.6160      2.00000
      5       7.3021      0.00006
      6       7.6302      0.00000
      7       8.1627      0.00000
      8       8.5599      0.00000
      9      10.2587      0.00000
     10      11.2213      0.00000
     11      11.6148      0.00000
     12      12.3677      0.00000

 k-point   264 :      -0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7249      2.00000
      2       0.2521      2.00000
      3       1.3810      2.00000
      4       3.1911      2.00000
      5       6.5343      0.12275
      6       7.4938      0.00001
      7       8.5110      0.00000
      8       9.6520      0.00000
      9      10.2151      0.00000
     10      10.7027      0.00000
     11      11.6817      0.00000
     12      13.9419      0.00000

 k-point   265 :      -0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1065      2.00000
      2       0.5263      2.00000
      3       1.3368      2.00000
      4       3.7357      2.00000
      5       6.1871      1.35592
      6       7.7894      0.00000
      7       8.3863      0.00000
      8       9.3324      0.00000
      9      10.7419      0.00000
     10      10.9019      0.00000
     11      11.7915      0.00000
     12      14.0433      0.00000

 k-point   266 :      -0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.5413      2.00000
      2       0.4668      2.00000
      3       1.8568      2.00000
      4       4.4525      2.00000
      5       5.8056      1.97927
      6       7.6688      0.00000
      7       8.8453      0.00000
      8       9.0308      0.00000
      9      10.6713      0.00000
     10      11.7040      0.00000
     11      12.1396      0.00000
     12      12.7849      0.00000

 k-point   267 :      -0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9045      2.00000
      2       0.2587      2.00000
      3       2.6984      2.00000
      4       5.0904      1.99998
      5       5.6787      1.99413
      6       7.4200      0.00002
      7       8.6317      0.00000
      8       9.7482      0.00000
      9      10.3166      0.00000
     10      11.3239      0.00000
     11      12.5530      0.00000
     12      12.6359      0.00000

 k-point   268 :      -0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.1747      2.00000
      2       0.0894      2.00000
      3       3.6635      2.00000
      4       5.0680      1.99999
      5       6.3446      0.60694
      6       7.2328      0.00012
      7       8.3901      0.00000
      8       9.4358      0.00000
      9      10.2105      0.00000
     10      10.7166      0.00000
     11      12.1790      0.00000
     12      13.1810      0.00000

 k-point   269 :      -0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3458      2.00000
      2      -0.0051      2.00000
      3       4.6502      2.00000
      4       4.9733      1.99999
      5       6.9141      0.00293
      6       7.3256      0.00005
      7       8.1306      0.00000
      8       8.3123      0.00000
      9       9.4916      0.00000
     10      11.5517      0.00000
     11      11.9483      0.00000
     12      13.3232      0.00000

 k-point   270 :      -0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2384      2.00000
      2       0.3045      2.00000
      3       0.9221      2.00000
      4       2.7266      2.00000
      5       6.9697      0.00168
      6       7.5828      0.00000
      7       8.1094      0.00000
      8       9.7857      0.00000
      9      10.1378      0.00000
     10      10.5632      0.00000
     11      11.2250      0.00000
     12      13.7552      0.00000

 k-point   271 :      -0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7232      2.00000
      2       0.2522      2.00000
      3       1.3798      2.00000
      4       3.1899      2.00000
      5       6.5360      0.12072
      6       7.4935      0.00001
      7       8.5103      0.00000
      8       9.6538      0.00000
      9      10.2146      0.00000
     10      10.7006      0.00000
     11      11.6809      0.00000
     12      13.9395      0.00000

 k-point   272 :      -0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.1872      2.00000
      2       0.0067      2.00000
      3       2.1544      2.00000
      4       3.8775      2.00000
      5       6.1085      1.64420
      6       7.2114      0.00015
      7       9.1994      0.00000
      8       9.2703      0.00000
      9      10.2823      0.00000
     10      11.2089      0.00000
     11      12.3347      0.00000
     12      12.8339      0.00000

 k-point   273 :      -0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5590      2.00000
      2      -0.2390      2.00000
      3       3.0652      2.00000
      4       4.6810      2.00000
      5       5.7743      1.98480
      6       6.9502      0.00204
      7       8.8735      0.00000
      8       9.9167      0.00000
      9      10.2094      0.00000
     10      11.2801      0.00000
     11      11.9654      0.00000
     12      12.9814      0.00000

 k-point   274 :      -0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8300      2.00000
      2      -0.4264      2.00000
      3       4.0665      2.00000
      4       5.3573      1.99976
      5       5.7132      1.99173
      6       6.7779      0.01137
      7       8.6139      0.00000
      8       9.4675      0.00000
      9       9.8217      0.00000
     10      11.1083      0.00000
     11      12.0342      0.00000
     12      13.1972      0.00000

 k-point   275 :      -0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.9978      2.00000
      2      -0.5369      2.00000
      3       5.1083      1.99998
      4       5.3103      1.99985
      5       6.2763      0.92610
      6       6.8495      0.00558
      7       8.2915      0.00000
      8       8.6436      0.00000
      9       8.8116      0.00000
     10      11.5522      0.00000
     11      12.2261      0.00000
     12      14.0579      0.00000

 k-point   276 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.4291      2.00000
      2       2.6117      2.00000
      3       4.4505      2.00000
      4       4.6079      2.00000
      5       5.7758      1.98458
      6       6.7662      0.01278
      7       8.5719      0.00000
      8      10.4118      0.00000
      9      10.5120      0.00000
     10      11.4188      0.00000
     11      12.3118      0.00000
     12      12.7103      0.00000

 k-point   277 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3796      2.00000
      2       2.6441      2.00000
      3       3.8726      2.00000
      4       4.5920      2.00000
      5       6.1625      1.45809
      6       7.1343      0.00032
      7       8.6205      0.00000
      8       9.8224      0.00000
      9      10.5117      0.00000
     10      11.4740      0.00000
     11      11.8767      0.00000
     12      13.0544      0.00000

 k-point   278 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2320      2.00000
      2       2.5789      2.00000
      3       3.0684      2.00000
      4       4.7292      2.00000
      5       6.4306      0.31141
      6       8.0448      0.00000
      7       8.6516      0.00000
      8       9.1465      0.00000
      9      10.3737      0.00000
     10      10.7552      0.00000
     11      12.0065      0.00000
     12      12.7213      0.00000

 k-point   279 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.9894      2.00000
      2       1.7685      2.00000
      3       3.1252      2.00000
      4       4.9629      2.00000
      5       6.5915      0.07119
      6       7.9122      0.00000
      7       8.5919      0.00000
      8       9.4345      0.00000
      9      10.0456      0.00000
     10      10.9297      0.00000
     11      11.5211      0.00000
     12      12.6615      0.00000

 k-point   280 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.6596      2.00000
      2       0.8844      2.00000
      3       3.4278      2.00000
      4       5.2866      1.99988
      5       6.4704      0.22029
      6       7.4639      0.00001
      7       8.5592      0.00000
      8       8.8611      0.00000
      9      10.7800      0.00000
     10      11.1463      0.00000
     11      11.5953      0.00000
     12      12.5510      0.00000

 k-point   281 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.2665      2.00000
      2       0.1103      2.00000
      3       3.8118      2.00000
      4       5.6876      1.99358
      5       5.9185      1.93729
      6       7.4386      0.00002
      7       7.9746      0.00000
      8       8.9861      0.00000
      9      10.1914      0.00000
     10      11.5698      0.00000
     11      12.2430      0.00000
     12      12.8679      0.00000

 k-point   282 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4401      2.00000
      3       4.1802      2.00000
      4       5.4030      1.99963
      5       6.1094      1.64136
      6       7.0452      0.00079
      7       8.0118      0.00000
      8       9.0012      0.00000
      9       9.8469      0.00000
     10      11.8635      0.00000
     11      12.0883      0.00000
     12      13.0390      0.00000

 k-point   283 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3795      2.00000
      2       2.6446      2.00000
      3       3.8835      2.00000
      4       4.5792      2.00000
      5       6.1536      1.49269
      6       7.1445      0.00029
      7       8.6217      0.00000
      8       9.8319      0.00000
      9      10.5002      0.00000
     10      11.4715      0.00000
     11      11.8723      0.00000
     12      13.0527      0.00000

 k-point   284 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3346      2.00000
      2       2.6785      2.00000
      3       3.8805      2.00000
      4       4.0893      2.00000
      5       6.6835      0.02898
      6       7.2616      0.00009
      7       8.6641      0.00000
      8       9.7859      0.00000
      9       9.9151      0.00000
     10      10.7461      0.00000
     11      12.2518      0.00000
     12      13.2319      0.00000

 k-point   285 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1915      2.00000
      2       2.6504      2.00000
      3       3.1125      2.00000
      4       4.2030      2.00000
      5       7.0332      0.00089
      6       8.0542      0.00000
      7       8.7234      0.00000
      8       8.9774      0.00000
      9       9.5735      0.00000
     10      10.3946      0.00000
     11      12.6272      0.00000
     12      13.4241      0.00000

 k-point   286 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9531      2.00000
      2       1.8609      2.00000
      3       3.1494      2.00000
      4       4.4661      2.00000
      5       7.1366      0.00032
      6       7.9325      0.00000
      7       8.3474      0.00000
      8       8.9275      0.00000
      9       9.9938      0.00000
     10      10.5874      0.00000
     11      12.3825      0.00000
     12      13.0727      0.00000

 k-point   287 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.6268      2.00000
      2       0.9719      2.00000
      3       3.4537      2.00000
      4       4.8061      2.00000
      5       6.7582      0.01384
      6       7.4680      0.00001
      7       7.9743      0.00000
      8       9.0751      0.00000
      9      10.7416      0.00000
     10      11.5145      0.00000
     11      11.6192      0.00000
     12      12.8470      0.00000

 k-point   288 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.2349      2.00000
      2       0.1896      2.00000
      3       3.8406      2.00000
      4       5.1817      1.99996
      5       6.0454      1.79339
      6       6.9882      0.00140
      7       8.1155      0.00000
      8       9.2877      0.00000
      9      10.7902      0.00000
     10      11.1280      0.00000
     11      12.3408      0.00000
     12      13.0205      0.00000

 k-point   289 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8686      2.00000
      2      -0.3790      2.00000
      3       4.2186      2.00000
      4       5.3586      1.99976
      5       5.5439      1.99847
      6       6.6893      0.02735
      7       8.4366      0.00000
      8       9.4767      0.00000
      9      10.1141      0.00000
     10      11.3546      0.00000
     11      11.9763      0.00000
     12      12.9419      0.00000

 k-point   290 :      -0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8445      2.00000
      2      -0.4131      2.00000
      3       4.2353      2.00000
      4       5.1616      1.99997
      5       5.5449      1.99846
      6       6.9562      0.00192
      7       8.6445      0.00000
      8       9.4332      0.00000
      9       9.8709      0.00000
     10      11.1069      0.00000
     11      12.0782      0.00000
     12      13.1406      0.00000

 k-point   291 :      -0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.1962      2.00000
      2       0.1207      2.00000
      3       3.8576      2.00000
      4       4.8634      2.00000
      5       6.0243      1.82932
      6       7.5808      0.00000
      7       8.4689      0.00000
      8       9.2328      0.00000
      9      10.2128      0.00000
     10      10.7493      0.00000
     11      12.3544      0.00000
     12      13.3064      0.00000

 k-point   292 :      -0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.5919      2.00000
      2       0.8866      2.00000
      3       3.4613      2.00000
      4       4.5380      2.00000
      5       6.7107      0.02216
      6       8.1236      0.00000
      7       8.3162      0.00000
      8       9.1372      0.00000
      9      10.3144      0.00000
     10      10.8367      0.00000
     11      11.8250      0.00000
     12      12.8347      0.00000

 k-point   293 :      -0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9259      2.00000
      2       1.7650      2.00000
      3       3.1445      2.00000
      4       4.2776      2.00000
      5       7.2409      0.00011
      6       8.0795      0.00000
      7       8.6025      0.00000
      8       9.5055      0.00000
      9       9.7978      0.00000
     10      10.6172      0.00000
     11      11.5637      0.00000
     12      13.2255      0.00000

 k-point   294 :      -0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1731      2.00000
      2       2.6051      2.00000
      3       3.0261      2.00000
      4       4.1137      2.00000
      5       7.1749      0.00022
      6       8.1152      0.00000
      7       8.6799      0.00000
      8       9.1113      0.00000
      9      10.0308      0.00000
     10      10.6910      0.00000
     11      12.0852      0.00000
     12      13.0089      0.00000

 k-point   295 :      -0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3254      2.00000
      2       2.6819      2.00000
      3       3.6642      2.00000
      4       4.1634      2.00000
      5       6.7494      0.01510
      6       7.3460      0.00004
      7       8.6658      0.00000
      8       9.6299      0.00000
      9      10.1320      0.00000
     10      11.6363      0.00000
     11      12.1428      0.00000
     12      12.6058      0.00000

 k-point   296 :      -0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6764      2.00000
      2      -0.3004      2.00000
      3       4.1914      2.00000
      4       4.3914      2.00000
      5       5.3122      1.99985
      6       6.3696      0.50683
      7       9.8147      0.00000
      8      10.0561      0.00000
      9      10.1473      0.00000
     10      10.3588      0.00000
     11      11.7784      0.00000
     12      12.9456      0.00000

 k-point   297 :      -0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0246      2.00000
      2       0.2178      2.00000
      3       3.7181      2.00000
      4       4.1297      2.00000
      5       6.0061      1.85572
      6       6.8416      0.00603
      7       9.5540      0.00000
      8       9.7429      0.00000
      9       9.8140      0.00000
     10      10.9093      0.00000
     11      12.3529      0.00000
     12      13.0264      0.00000

 k-point   298 :      -0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4245      2.00000
      2       0.9730      2.00000
      3       3.3022      2.00000
      4       3.8362      2.00000
      5       6.8129      0.00803
      6       7.5072      0.00001
      7       9.1209      0.00000
      8       9.3494      0.00000
      9       9.6739      0.00000
     10      11.6039      0.00000
     11      11.9998      0.00000
     12      12.9669      0.00000

 k-point   299 :      -0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7635      2.00000
      2       1.8323      2.00000
      3       2.9781      2.00000
      4       3.6060      2.00000
      5       7.6616      0.00000
      6       8.1692      0.00000
      7       8.8439      0.00000
      8       9.0375      0.00000
      9       9.4081      0.00000
     10      10.7396      0.00000
     11      12.2818      0.00000
     12      13.4446      0.00000

 k-point   300 :      -0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0157      2.00000
      2       2.6392      2.00000
      3       2.7782      2.00000
      4       3.5588      2.00000
      5       8.1642      0.00000
      6       8.2175      0.00000
      7       8.7939      0.00000
      8       8.8440      0.00000
      9       9.3396      0.00000
     10      10.3272      0.00000
     11      12.5350      0.00000
     12      13.5171      0.00000

 k-point   301 :      -0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1728      2.00000
      2       2.6118      2.00000
      3       3.0277      2.00000
      4       4.1040      2.00000
      5       7.1611      0.00025
      6       8.1254      0.00000
      7       8.6904      0.00000
      8       9.1119      0.00000
      9      10.0251      0.00000
     10      10.6887      0.00000
     11      12.0790      0.00000
     12      12.9971      0.00000

 k-point   302 :      -0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4050      2.00000
      2      -0.1088      2.00000
      3       3.2090      2.00000
      4       4.4945      2.00000
      5       4.8762      2.00000
      6       6.2029      1.28504
      7       9.1366      0.00000
      8      10.1877      0.00000
      9      10.9060      0.00000
     10      11.2347      0.00000
     11      11.4618      0.00000
     12      13.4948      0.00000

 k-point   303 :      -0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.7536      2.00000
      2       0.3923      2.00000
      3       2.8241      2.00000
      4       4.2589      2.00000
      5       5.5358      1.99859
      6       6.5860      0.07505
      7       8.8113      0.00000
      8       9.8872      0.00000
      9      11.1182      0.00000
     10      11.6114      0.00000
     11      11.8439      0.00000
     12      13.4484      0.00000

 k-point   304 :      -0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.1601      2.00000
      2       1.1166      2.00000
      3       2.4914      2.00000
      4       3.9386      2.00000
      5       6.3560      0.55974
      6       7.1889      0.00019
      7       8.5152      0.00000
      8       9.5443      0.00000
      9      10.8519      0.00000
     10      12.1410      0.00000
     11      12.3350      0.00000
     12      12.7040      0.00000

 k-point   305 :      -0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5053      2.00000
      2       1.7795      2.00000
      3       2.4063      2.00000
      4       3.6710      2.00000
      5       7.2409      0.00011
      6       7.7382      0.00000
      7       8.4550      0.00000
      8       9.2537      0.00000
      9      10.2632      0.00000
     10      11.1367      0.00000
     11      12.7599      0.00000
     12      13.4390      0.00000

 k-point   306 :      -0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7630      2.00000
      2       1.8395      2.00000
      3       2.9723      2.00000
      4       3.6037      2.00000
      5       7.6657      0.00000
      6       8.1684      0.00000
      7       8.8356      0.00000
      8       9.0258      0.00000
      9       9.4132      0.00000
     10      10.7514      0.00000
     11      12.2767      0.00000
     12      13.4495      0.00000

 k-point   307 :      -0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9250      2.00000
      2       1.7732      2.00000
      3       3.1442      2.00000
      4       4.2674      2.00000
      5       7.2344      0.00012
      6       8.0781      0.00000
      7       8.6036      0.00000
      8       9.5027      0.00000
      9       9.8022      0.00000
     10      10.6210      0.00000
     11      11.5575      0.00000
     12      13.2178      0.00000

 k-point   308 :      -0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0328      2.00000
      2       0.1437      2.00000
      3       2.3010      2.00000
      4       3.9149      2.00000
      5       5.0620      1.99999
      6       6.3256      0.69031
      7       8.2641      0.00000
      8      10.1994      0.00000
      9      10.5914      0.00000
     10      11.6208      0.00000
     11      12.9739      0.00000
     12      13.5894      0.00000

 k-point   309 :      -0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.3893      2.00000
      2       0.6099      2.00000
      3       1.9862      2.00000
      4       4.2971      2.00000
      5       5.0270      1.99999
      6       6.6957      0.02568
      7       8.0189      0.00000
      8      10.1719      0.00000
      9      10.9322      0.00000
     10      11.8951      0.00000
     11      12.9726      0.00000
     12      13.2123      0.00000

 k-point   310 :      -0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8064      2.00000
      2       1.1235      2.00000
      3       1.8869      2.00000
      4       4.1911      2.00000
      5       5.5600      1.99821
      6       7.1325      0.00033
      7       7.9690      0.00000
      8       9.8540      0.00000
      9      11.6231      0.00000
     10      11.9759      0.00000
     11      12.6568      0.00000
     12      12.7209      0.00000

 k-point   311 :      -0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.1593      2.00000
      2       1.1215      2.00000
      3       2.4854      2.00000
      4       3.9392      2.00000
      5       6.3554      0.56216
      6       7.1917      0.00018
      7       8.5103      0.00000
      8       9.5442      0.00000
      9      10.8363      0.00000
     10      12.1558      0.00000
     11      12.3352      0.00000
     12      12.7043      0.00000

 k-point   312 :      -0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4231      2.00000
      2       0.9790      2.00000
      3       3.2962      2.00000
      4       3.8348      2.00000
      5       6.8166      0.00774
      6       7.5050      0.00001
      7       9.1145      0.00000
      8       9.3386      0.00000
      9       9.6686      0.00000
     10      11.5976      0.00000
     11      12.0218      0.00000
     12      12.9671      0.00000

 k-point   313 :      -0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.5902      2.00000
      2       0.8932      2.00000
      3       3.4619      2.00000
      4       4.5283      2.00000
      5       6.7139      0.02147
      6       8.1118      0.00000
      7       8.3106      0.00000
      8       9.1365      0.00000
      9      10.3056      0.00000
     10      10.8324      0.00000
     11      11.8456      0.00000
     12      12.8368      0.00000

 k-point   314 :      -0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.5682      2.00000
      2       0.4000      2.00000
      3       1.5264      2.00000
      4       3.2536      2.00000
      5       5.4841      1.99916
      6       6.4967      0.17392
      7       7.5263      0.00001
      8       9.5981      0.00000
      9      10.9957      0.00000
     10      11.8770      0.00000
     11      12.9234      0.00000
     12      14.4927      0.00000

 k-point   315 :      -0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.9524      2.00000
      2       0.6823      2.00000
      3       1.4629      2.00000
      4       3.7783      2.00000
      5       5.1979      1.99995
      6       6.7178      0.02065
      7       7.5300      0.00001
      8      10.0440      0.00000
      9      10.7472      0.00000
     10      12.0450      0.00000
     11      12.8933      0.00000
     12      14.1859      0.00000

 k-point   316 :      -0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.3881      2.00000
      2       0.6125      2.00000
      3       1.9826      2.00000
      4       4.2967      2.00000
      5       5.0273      1.99999
      6       6.6973      0.02530
      7       8.0160      0.00000
      8      10.1727      0.00000
      9      10.9313      0.00000
     10      11.8930      0.00000
     11      12.9555      0.00000
     12      13.2116      0.00000

 k-point   317 :      -0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.7517      2.00000
      2       0.3961      2.00000
      3       2.8183      2.00000
      4       4.2603      2.00000
      5       5.5345      1.99861
      6       6.5875      0.07398
      7       8.8062      0.00000
      8       9.8886      0.00000
      9      11.1043      0.00000
     10      11.6088      0.00000
     11      11.8353      0.00000
     12      13.4417      0.00000

 k-point   318 :      -0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0221      2.00000
      2       0.2222      2.00000
      3       3.7121      2.00000
      4       4.1301      2.00000
      5       6.0077      1.85355
      6       6.8386      0.00622
      7       9.5516      0.00000
      8       9.7337      0.00000
      9       9.8030      0.00000
     10      10.9025      0.00000
     11      12.3493      0.00000
     12      13.0304      0.00000

 k-point   319 :      -0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.1934      2.00000
      2       0.1254      2.00000
      3       3.8595      2.00000
      4       4.8546      2.00000
      5       6.0270      1.82503
      6       7.5747      0.00000
      7       8.4540      0.00000
      8       9.2306      0.00000
      9      10.2080      0.00000
     10      10.7416      0.00000
     11      12.3563      0.00000
     12      13.3226      0.00000

 k-point   320 :      -0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.0821      2.00000
      2       0.4607      2.00000
      3       1.0726      2.00000
      4       2.7882      2.00000
      5       5.9257      1.93272
      6       6.5088      0.15564
      7       7.0923      0.00049
      8       9.1919      0.00000
      9      11.4436      0.00000
     10      11.8892      0.00000
     11      12.5063      0.00000
     12      14.6763      0.00000

 k-point   321 :      -0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.5665      2.00000
      2       0.4002      2.00000
      3       1.5251      2.00000
      4       3.2524      2.00000
      5       5.4859      1.99914
      6       6.4960      0.17492
      7       7.5255      0.00001
      8       9.5970      0.00000
      9      10.9977      0.00000
     10      11.8755      0.00000
     11      12.9226      0.00000
     12      14.4745      0.00000

 k-point   322 :      -0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0301      2.00000
      2       0.1450      2.00000
      3       2.2979      2.00000
      4       3.9123      2.00000
      5       5.0647      1.99999
      6       6.3257      0.68983
      7       8.2615      0.00000
      8      10.1972      0.00000
      9      10.5941      0.00000
     10      11.6182      0.00000
     11      12.9539      0.00000
     12      13.5863      0.00000

 k-point   323 :      -0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4016      2.00000
      2      -0.1067      2.00000
      3       3.2040      2.00000
      4       4.4944      2.00000
      5       4.8765      2.00000
      6       6.2028      1.28525
      7       9.1322      0.00000
      8      10.1910      0.00000
      9      10.9042      0.00000
     10      11.2262      0.00000
     11      11.4437      0.00000
     12      13.4836      0.00000

 k-point   324 :      -0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6725      2.00000
      2      -0.2977      2.00000
      3       4.1849      2.00000
      4       4.3947      2.00000
      5       5.3110      1.99985
      6       6.3663      0.51944
      7       9.8085      0.00000
      8      10.0517      0.00000
      9      10.1389      0.00000
     10      10.3508      0.00000
     11      11.7720      0.00000
     12      12.9412      0.00000

 k-point   325 :      -0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8404      2.00000
      2      -0.4101      2.00000
      3       4.2392      2.00000
      4       5.1562      1.99997
      5       5.5429      1.99849
      6       6.9488      0.00207
      7       8.6303      0.00000
      8       9.4243      0.00000
      9       9.8739      0.00000
     10      11.0993      0.00000
     11      12.0759      0.00000
     12      13.1343      0.00000

 k-point   326 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1875      2.00000
      2       1.6186      2.00000
      3       4.6879      2.00000
      4       4.8554      2.00000
      5       6.0386      1.80572
      6       7.0541      0.00072
      7       9.3948      0.00000
      8       9.4652      0.00000
      9       9.8380      0.00000
     10      10.5389      0.00000
     11      12.3098      0.00000
     12      12.5316      0.00000

 k-point   327 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1378      2.00000
      2       1.6598      2.00000
      3       4.1058      2.00000
      4       4.8351      2.00000
      5       6.4068      0.37898
      6       7.4395      0.00002
      7       8.8237      0.00000
      8       9.4847      0.00000
      9       9.9019      0.00000
     10      10.9758      0.00000
     11      11.7296      0.00000
     12      12.5891      0.00000

 k-point   328 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9895      2.00000
      2       1.7694      2.00000
      3       3.1233      2.00000
      4       4.9715      2.00000
      5       6.5870      0.07427
      6       7.9199      0.00000
      7       8.5862      0.00000
      8       9.6184      0.00000
      9      10.0357      0.00000
     10      10.6637      0.00000
     11      11.4441      0.00000
     12      12.8098      0.00000

 k-point   329 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7455      2.00000
      2       1.7582      2.00000
      3       2.3741      2.00000
      4       5.2047      1.99995
      5       6.3679      0.51312
      6       7.4790      0.00001
      7       9.5894      0.00000
      8       9.7017      0.00000
      9       9.9753      0.00000
     10      10.4024      0.00000
     11      11.4403      0.00000
     12      12.5115      0.00000

 k-point   330 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.4132      2.00000
      2       1.0729      2.00000
      3       2.4667      2.00000
      4       5.5280      1.99870
      5       5.7143      1.99163
      6       7.5582      0.00000
      7       8.8118      0.00000
      8      10.0383      0.00000
      9      10.1915      0.00000
     10      11.2053      0.00000
     11      11.4789      0.00000
     12      12.6199      0.00000

 k-point   331 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.0152      2.00000
      2       0.3180      2.00000
      3       2.8107      2.00000
      4       5.0247      1.99999
      5       5.9300      1.92990
      6       7.6795      0.00000
      7       8.2111      0.00000
      8       9.8448      0.00000
      9      10.5547      0.00000
     10      11.1599      0.00000
     11      12.1421      0.00000
     12      12.8781      0.00000

 k-point   332 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.6478      2.00000
      2      -0.2360      2.00000
      3       3.1436      2.00000
      4       4.5146      2.00000
      5       6.3476      0.59424
      6       7.2902      0.00007
      7       8.2737      0.00000
      8       9.5253      0.00000
      9      10.9147      0.00000
     10      11.2602      0.00000
     11      12.0565      0.00000
     12      12.7370      0.00000

 k-point   333 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1377      2.00000
      2       1.6600      2.00000
      3       4.1170      2.00000
      4       4.8224      2.00000
      5       6.3978      0.40757
      6       7.4508      0.00001
      7       8.8331      0.00000
      8       9.4727      0.00000
      9       9.9013      0.00000
     10      10.9722      0.00000
     11      11.7298      0.00000
     12      12.5947      0.00000

 k-point   334 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0927      2.00000
      2       1.6990      2.00000
      3       4.1351      2.00000
      4       4.2991      2.00000
      5       6.9337      0.00241
      6       7.5733      0.00000
      7       8.7712      0.00000
      8       9.0623      0.00000
      9       9.9319      0.00000
     10      10.8373      0.00000
     11      11.3959      0.00000
     12      12.7803      0.00000

 k-point   335 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9489      2.00000
      2       1.8097      2.00000
      3       3.2090      2.00000
      4       4.4232      2.00000
      5       7.1866      0.00019
      6       7.9984      0.00000
      7       8.5356      0.00000
      8       9.1045      0.00000
      9       9.6653      0.00000
     10      10.3609      0.00000
     11      11.9178      0.00000
     12      13.3258      0.00000

 k-point   336 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.7091      2.00000
      2       1.8265      2.00000
      3       2.4292      2.00000
      4       4.6800      2.00000
      5       6.7147      0.02129
      6       7.7591      0.00000
      7       8.6965      0.00000
      8       9.4532      0.00000
      9       9.8160      0.00000
     10      10.5911      0.00000
     11      12.1291      0.00000
     12      13.0914      0.00000

 k-point   337 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3804      2.00000
      2       1.1598      2.00000
      3       2.4976      2.00000
      4       4.9798      1.99999
      5       5.9690      1.89816
      6       7.7134      0.00000
      7       8.1949      0.00000
      8       9.7746      0.00000
      9      10.3530      0.00000
     10      11.6112      0.00000
     11      11.9409      0.00000
     12      12.5196      0.00000

 k-point   338 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9840      2.00000
      2       0.3982      2.00000
      3       2.8419      2.00000
      4       4.9733      1.99999
      5       5.6284      1.99644
      6       7.1900      0.00019
      7       8.3749      0.00000
      8      10.1206      0.00000
      9      10.4961      0.00000
     10      11.4347      0.00000
     11      12.0328      0.00000
     12      12.6136      0.00000

 k-point   339 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.6084      2.00000
      2      -0.1735      2.00000
      3       3.1841      2.00000
      4       4.5294      2.00000
      5       5.7792      1.98404
      6       6.8709      0.00450
      7       8.6994      0.00000
      8      10.2278      0.00000
      9      10.3479      0.00000
     10      11.3250      0.00000
     11      11.6973      0.00000
     12      12.9130      0.00000

 k-point   340 :      -0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.5834      2.00000
      2      -0.2082      2.00000
      3       3.2010      2.00000
      4       4.4991      2.00000
      5       5.5752      1.99791
      6       7.1755      0.00021
      7       8.9067      0.00000
      8       9.9096      0.00000
      9      10.2173      0.00000
     10      11.2927      0.00000
     11      11.9615      0.00000
     12      13.1335      0.00000

 k-point   341 :      -0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9446      2.00000
      2       0.3302      2.00000
      3       2.8660      2.00000
      4       4.8606      2.00000
      5       5.3436      1.99979
      6       7.8315      0.00000
      7       8.7308      0.00000
      8       9.7065      0.00000
      9      10.1850      0.00000
     10      11.1983      0.00000
     11      12.6017      0.00000
     12      13.1040      0.00000

 k-point   342 :      -0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3452      2.00000
      2       1.0805      2.00000
      3       2.5115      2.00000
      4       4.7307      2.00000
      5       5.8437      1.96982
      6       8.3792      0.00000
      7       8.6111      0.00000
      8       9.4276      0.00000
      9      10.2787      0.00000
     10      11.2808      0.00000
     11      11.9683      0.00000
     12      13.0238      0.00000

 k-point   343 :      -0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.6817      2.00000
      2       1.7906      2.00000
      3       2.3774      2.00000
      4       4.4865      2.00000
      5       6.6068      0.06136
      6       8.0867      0.00000
      7       8.9681      0.00000
      8       9.5856      0.00000
      9      10.0300      0.00000
     10      10.7335      0.00000
     11      11.7373      0.00000
     12      12.7790      0.00000

 k-point   344 :      -0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9303      2.00000
      2       1.8188      2.00000
      3       3.0808      2.00000
      4       4.3251      2.00000
      5       7.1985      0.00017
      6       8.0706      0.00000
      7       8.4471      0.00000
      8       9.2634      0.00000
      9      10.0577      0.00000
     10      10.9130      0.00000
     11      11.9114      0.00000
     12      12.6702      0.00000

 k-point   345 :      -0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0833      2.00000
      2       1.7047      2.00000
      3       3.9129      2.00000
      4       4.3796      2.00000
      5       6.9808      0.00150
      6       7.6300      0.00000
      7       8.6466      0.00000
      8       9.1302      0.00000
      9      10.0019      0.00000
     10      11.4723      0.00000
     11      11.8633      0.00000
     12      12.7642      0.00000

 k-point   346 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9891      2.00000
      2       1.7704      2.00000
      3       3.1325      2.00000
      4       4.9588      2.00000
      5       6.5756      0.08294
      6       7.9277      0.00000
      7       8.6009      0.00000
      8       9.6073      0.00000
      9      10.0354      0.00000
     10      10.6601      0.00000
     11      11.4350      0.00000
     12      12.8072      0.00000

 k-point   347 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9486      2.00000
      2       1.8105      2.00000
      3       3.2181      2.00000
      4       4.4121      2.00000
      5       7.1756      0.00021
      6       8.0045      0.00000
      7       8.5468      0.00000
      8       9.0987      0.00000
      9       9.6636      0.00000
     10      10.3599      0.00000
     11      11.9084      0.00000
     12      13.3387      0.00000

 k-point   348 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.8091      2.00000
      2       1.9301      2.00000
      3       3.2050      2.00000
      4       3.6179      2.00000
      5       7.7913      0.00000
      6       8.0037      0.00000
      7       8.4966      0.00000
      8       8.6595      0.00000
      9       9.1985      0.00000
     10      10.4802      0.00000
     11      12.7150      0.00000
     12      13.3845      0.00000

 k-point   349 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5733      2.00000
      2       1.9941      2.00000
      3       2.5272      2.00000
      4       3.7235      2.00000
      5       6.9400      0.00226
      6       7.6691      0.00000
      7       8.4978      0.00000
      8       8.9655      0.00000
      9       9.9432      0.00000
     10      10.7961      0.00000
     11      12.6287      0.00000
     12      13.1870      0.00000

 k-point   350 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.2476      2.00000
      2       1.3409      2.00000
      3       2.5970      2.00000
      4       4.0276      2.00000
      5       6.0471      1.79025
      6       7.0077      0.00115
      7       8.7802      0.00000
      8       9.2142      0.00000
      9      10.5586      0.00000
     10      11.5926      0.00000
     11      12.1392      0.00000
     12      13.0700      0.00000

 k-point   351 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.8514      2.00000
      2       0.5698      2.00000
      3       2.9561      2.00000
      4       4.3562      2.00000
      5       5.2605      1.99991
      6       6.4387      0.29059
      7       9.1298      0.00000
      8       9.5062      0.00000
      9      10.8247      0.00000
     10      11.2286      0.00000
     11      12.4070      0.00000
     12      13.3599      0.00000

 k-point   352 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4658      2.00000
      2      -0.0216      2.00000
      3       3.3204      2.00000
      4       4.4965      2.00000
      5       4.7285      2.00000
      6       6.1690      1.43204
      7       9.2979      0.00000
      8       9.8855      0.00000
      9      10.8319      0.00000
     10      11.1415      0.00000
     11      11.7637      0.00000
     12      13.5360      0.00000

 k-point   353 :      -0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4151      2.00000
      2      -0.0921      2.00000
      3       3.3546      2.00000
      4       4.2880      2.00000
      5       4.7524      2.00000
      6       6.3907      0.43092
      7       9.1220      0.00000
      8      10.2163      0.00000
      9      10.8763      0.00000
     10      11.2083      0.00000
     11      11.5140      0.00000
     12      13.5008      0.00000

 k-point   354 :      -0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.7725      2.00000
      2       0.4320      2.00000
      3       2.9954      2.00000
      4       4.0470      2.00000
      5       5.2176      1.99994
      6       6.9585      0.00188
      7       8.8033      0.00000
      8      10.0478      0.00000
      9      10.9113      0.00000
     10      11.4265      0.00000
     11      11.9398      0.00000
     12      13.6156      0.00000

 k-point   355 :      -0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.1772      2.00000
      2       1.1777      2.00000
      3       2.6105      2.00000
      4       3.7703      2.00000
      5       5.9379      1.92436
      6       7.6483      0.00000
      7       8.5429      0.00000
      8       9.6644      0.00000
      9      10.6891      0.00000
     10      12.0313      0.00000
     11      12.1295      0.00000
     12      12.8526      0.00000

 k-point   356 :      -0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5187      2.00000
      2       1.9217      2.00000
      3       2.3920      2.00000
      4       3.5655      2.00000
      5       6.7604      0.01354
      6       7.9821      0.00000
      7       8.7926      0.00000
      8       9.2852      0.00000
      9      10.2037      0.00000
     10      11.0715      0.00000
     11      12.6011      0.00000
     12      13.5089      0.00000

 k-point   357 :      -0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7722      2.00000
      2       1.9478      2.00000
      3       2.8933      2.00000
      4       3.6069      2.00000
      5       7.4898      0.00001
      6       7.9525      0.00000
      7       8.7578      0.00000
      8       9.3692      0.00000
      9       9.5754      0.00000
     10      10.7508      0.00000
     11      12.6662      0.00000
     12      13.2212      0.00000

 k-point   358 :      -0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9300      2.00000
      2       1.8197      2.00000
      3       3.0889      2.00000
      4       4.3148      2.00000
      5       7.1925      0.00018
      6       8.0720      0.00000
      7       8.4515      0.00000
      8       9.2633      0.00000
      9      10.0583      0.00000
     10      10.9117      0.00000
     11      11.9007      0.00000
     12      12.6662      0.00000

 k-point   359 :      -0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1439      2.00000
      2       0.1059      2.00000
      3       3.4169      2.00000
      4       3.6130      2.00000
      5       4.4900      2.00000
      6       5.7361      1.98960
      7       8.1656      0.00000
      8      10.2275      0.00000
      9      11.6162      0.00000
     10      11.7594      0.00000
     11      12.1177      0.00000
     12      14.0095      0.00000

 k-point   360 :      -0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5011      2.00000
      2       0.6151      2.00000
      3       2.9355      2.00000
      4       3.3932      2.00000
      5       5.1898      1.99996
      6       6.1385      1.54761
      7       7.9106      0.00000
      8      10.7412      0.00000
      9      11.3337      0.00000
     10      11.6169      0.00000
     11      12.5462      0.00000
     12      14.0090      0.00000

 k-point   361 :      -0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9120      2.00000
      2       1.3423      2.00000
      3       2.5126      2.00000
      4       3.1513      2.00000
      5       6.0022      1.86081
      6       6.6711      0.03273
      7       7.7598      0.00000
      8      10.8488      0.00000
      9      11.1201      0.00000
     10      11.6523      0.00000
     11      12.7694      0.00000
     12      13.1100      0.00000

 k-point   362 :      -0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2592      2.00000
      2       2.0359      2.00000
      3       2.2181      2.00000
      4       3.0632      2.00000
      5       6.7238      0.01945
      6       7.1120      0.00040
      7       8.0579      0.00000
      8      10.4752      0.00000
      9      10.5206      0.00000
     10      11.4060      0.00000
     11      12.7272      0.00000
     12      13.2587      0.00000

 k-point   363 :      -0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5181      2.00000
      2       1.9276      2.00000
      3       2.3922      2.00000
      4       3.5585      2.00000
      5       6.7660      0.01281
      6       7.9753      0.00000
      7       8.7896      0.00000
      8       9.2701      0.00000
      9      10.2146      0.00000
     10      11.0794      0.00000
     11      12.5928      0.00000
     12      13.5020      0.00000

 k-point   364 :      -0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6808      2.00000
      2       1.7964      2.00000
      3       2.3802      2.00000
      4       4.4759      2.00000
      5       6.6110      0.05892
      6       8.0730      0.00000
      7       8.9616      0.00000
      8       9.5825      0.00000
      9      10.0390      0.00000
     10      10.7411      0.00000
     11      11.7272      0.00000
     12      12.7675      0.00000

 k-point   365 :      -0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.7720      2.00000
      2       0.3692      2.00000
      3       2.5349      2.00000
      4       3.8045      2.00000
      5       4.1633      2.00000
      6       5.5104      1.99891
      7       7.2915      0.00007
      8       9.4969      0.00000
      9      12.0370      0.00000
     10      12.8429      0.00000
     11      13.2278      0.00000
     12      14.8704      0.00000

 k-point   366 :      -0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.1360      2.00000
      2       0.8483      2.00000
      3       2.1831      2.00000
      4       3.5821      2.00000
      5       4.8159      2.00000
      6       5.7822      1.98356
      7       7.1504      0.00028
      8       9.9951      0.00000
      9      11.7391      0.00000
     10      12.9453      0.00000
     11      13.4018      0.00000
     12      14.3411      0.00000

 k-point   367 :      -0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.5566      2.00000
      2       1.3814      2.00000
      3       2.0284      2.00000
      4       3.2867      2.00000
      5       5.6110      1.99701
      6       6.1034      1.65866
      7       7.2323      0.00012
      8      10.6498      0.00000
      9      11.3789      0.00000
     10      12.4366      0.00000
     11      13.2768      0.00000
     12      13.6460      0.00000

 k-point   368 :      -0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9112      2.00000
      2       1.3476      2.00000
      3       2.5081      2.00000
      4       3.1502      2.00000
      5       6.0059      1.85591
      6       6.6682      0.03368
      7       7.7559      0.00000
      8      10.8437      0.00000
      9      11.1080      0.00000
     10      11.6560      0.00000
     11      12.7841      0.00000
     12      13.1039      0.00000

 k-point   369 :      -0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1759      2.00000
      2       1.1839      2.00000
      3       2.6106      2.00000
      4       3.7630      2.00000
      5       5.9424      1.92102
      6       7.6441      0.00000
      7       8.5360      0.00000
      8       9.6472      0.00000
      9      10.6906      0.00000
     10      12.0248      0.00000
     11      12.1430      0.00000
     12      12.8548      0.00000

 k-point   370 :      -0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3435      2.00000
      2       1.0871      2.00000
      3       2.5127      2.00000
      4       4.7211      2.00000
      5       5.8477      1.96860
      6       8.3638      0.00000
      7       8.6057      0.00000
      8       9.4188      0.00000
      9      10.2763      0.00000
     10      11.2785      0.00000
     11      11.9827      0.00000
     12      13.0134      0.00000

 k-point   371 :      -0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3081      2.00000
      2       0.6432      2.00000
      3       1.7648      2.00000
      4       3.3375      2.00000
      5       4.4631      2.00000
      6       5.5228      1.99876
      7       6.5528      0.10300
      8       8.9155      0.00000
      9      12.4624      0.00000
     10      13.2584      0.00000
     11      14.3066      0.00000
     12      14.7340      0.00000

 k-point   372 :      -0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.6972      2.00000
      2       0.9410      2.00000
      3       1.6641      2.00000
      4       3.6961      2.00000
      5       4.3869      2.00000
      6       5.6832      1.99386
      7       6.6657      0.03451
      8       9.3501      0.00000
      9      12.1375      0.00000
     10      13.4275      0.00000
     11      14.1887      0.00000
     12      14.4252      0.00000

 k-point   373 :      -0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.1348      2.00000
      2       0.8511      2.00000
      3       2.1794      2.00000
      4       3.5829      2.00000
      5       4.8157      2.00000
      6       5.7824      1.98352
      7       7.1480      0.00028
      8       9.9936      0.00000
      9      11.7399      0.00000
     10      12.9329      0.00000
     11      13.3935      0.00000
     12      14.3491      0.00000

 k-point   374 :      -0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.4991      2.00000
      2       0.6190      2.00000
      3       2.9310      2.00000
      4       3.3936      2.00000
      5       5.1914      1.99995
      6       6.1361      1.55586
      7       7.9058      0.00000
      8      10.7379      0.00000
      9      11.3276      0.00000
     10      11.6056      0.00000
     11      12.5380      0.00000
     12      14.0161      0.00000

 k-point   375 :      -0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7701      2.00000
      2       0.4366      2.00000
      3       2.9971      2.00000
      4       4.0405      2.00000
      5       5.2198      1.99994
      6       6.9537      0.00197
      7       8.7963      0.00000
      8      10.0305      0.00000
      9      10.9084      0.00000
     10      11.4188      0.00000
     11      11.9378      0.00000
     12      13.6246      0.00000

 k-point   376 :      -0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9418      2.00000
      2       0.3351      2.00000
      3       2.8684      2.00000
      4       4.8583      2.00000
      5       5.3397      1.99980
      6       7.8250      0.00000
      7       8.7154      0.00000
      8       9.6968      0.00000
      9      10.1766      0.00000
     10      11.1993      0.00000
     11      12.5977      0.00000
     12      13.0921      0.00000

 k-point   377 :      -0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1773      2.00000
      2       0.7197      2.00000
      3       1.3207      2.00000
      4       2.8817      2.00000
      5       4.9000      2.00000
      6       5.4718      1.99926
      7       6.0887      1.69824
      8       8.5636      0.00000
      9      12.9077      0.00000
     10      13.3339      0.00000
     11      13.9227      0.00000
     12      15.8369      0.00000

 k-point   378 :      -0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3064      2.00000
      2       0.6435      2.00000
      3       1.7635      2.00000
      4       3.3364      2.00000
      5       4.4649      2.00000
      6       5.5219      1.99877
      7       6.5521      0.10377
      8       8.9145      0.00000
      9      12.4646      0.00000
     10      13.2564      0.00000
     11      14.3056      0.00000
     12      14.7160      0.00000

 k-point   379 :      -0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.7694      2.00000
      2       0.3705      2.00000
      3       2.5318      2.00000
      4       3.8044      2.00000
      5       4.1642      2.00000
      6       5.5097      1.99891
      7       7.2890      0.00007
      8       9.4943      0.00000
      9      12.0401      0.00000
     10      12.8380      0.00000
     11      13.2080      0.00000
     12      14.8584      0.00000

 k-point   380 :      -0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1405      2.00000
      2       0.1082      2.00000
      3       3.4122      2.00000
      4       3.6159      2.00000
      5       4.4891      2.00000
      6       5.7335      1.98986
      7       8.1612      0.00000
      8      10.2230      0.00000
      9      11.6068      0.00000
     10      11.7539      0.00000
     11      12.1081      0.00000
     12      14.0035      0.00000

 k-point   381 :      -0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4112      2.00000
      2      -0.0893      2.00000
      3       3.3583      2.00000
      4       4.2843      2.00000
      5       4.7501      2.00000
      6       6.3851      0.45018
      7       9.1157      0.00000
      8      10.2000      0.00000
      9      10.8646      0.00000
     10      11.2028      0.00000
     11      11.5168      0.00000
     12      13.5001      0.00000

 k-point   382 :      -0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5792      2.00000
      2      -0.2050      2.00000
      3       3.2050      2.00000
      4       4.5001      2.00000
      5       5.5670      1.99807
      6       7.1675      0.00023
      7       8.8921      0.00000
      8       9.8973      0.00000
      9      10.2092      0.00000
     10      11.2967      0.00000
     11      11.9549      0.00000
     12      13.1324      0.00000

 k-point   383 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8597      2.00000
      2       0.7149      2.00000
      3       5.0128      1.99999
      4       5.1999      1.99995
      5       6.4041      0.38753
      6       7.2307      0.00012
      7       8.4761      0.00000
      8       8.5194      0.00000
      9       9.6664      0.00000
     10      11.2228      0.00000
     11      12.0094      0.00000
     12      12.8505      0.00000

 k-point   384 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8096      2.00000
      2       0.7585      2.00000
      3       4.4325      2.00000
      4       5.1711      1.99996
      5       6.6958      0.02567
      6       7.5846      0.00000
      7       8.0397      0.00000
      8       8.5597      0.00000
      9      10.1305      0.00000
     10      11.3362      0.00000
     11      11.9179      0.00000
     12      12.2937      0.00000

 k-point   385 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2       0.8853      2.00000
      3       3.4254      2.00000
      4       5.3056      1.99986
      5       6.4667      0.22770
      6       7.4858      0.00001
      7       8.6108      0.00000
      8       8.9070      0.00000
      9      10.6171      0.00000
     10      11.0463      0.00000
     11      11.5290      0.00000
     12      12.6357      0.00000

 k-point   386 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.4134      2.00000
      2       1.0737      2.00000
      3       2.4656      2.00000
      4       5.5338      1.99862
      5       5.7194      1.99119
      6       7.5716      0.00000
      7       8.8942      0.00000
      8       9.9518      0.00000
      9      10.1158      0.00000
     10      11.1652      0.00000
     11      11.4915      0.00000
     12      12.7116      0.00000

 k-point   387 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.0767      2.00000
      2       1.1329      2.00000
      3       1.7972      2.00000
      4       4.9123      2.00000
      5       5.8620      1.96386
      6       7.8254      0.00000
      7       9.0666      0.00000
      8       9.2968      0.00000
      9      10.5968      0.00000
     10      11.3688      0.00000
     11      11.9770      0.00000
     12      12.5659      0.00000

 k-point   388 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.6705      2.00000
      2       0.5777      2.00000
      3       1.9131      2.00000
      4       4.2068      2.00000
      5       6.2624      0.99555
      6       8.0122      0.00000
      7       8.5159      0.00000
      8       9.6102      0.00000
      9      10.2703      0.00000
     10      11.4109      0.00000
     11      12.0740      0.00000
     12      12.5194      0.00000

 k-point   389 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.2867      2.00000
      2       0.0311      2.00000
      3       2.1892      2.00000
      4       3.7196      2.00000
      5       6.6788      0.03034
      6       7.6252      0.00000
      7       8.6198      0.00000
      8       9.7804      0.00000
      9      10.0583      0.00000
     10      11.1439      0.00000
     11      11.9741      0.00000
     12      12.7938      0.00000

 k-point   390 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.8095      2.00000
      2       0.7586      2.00000
      3       4.4439      2.00000
      4       5.1585      1.99997
      5       6.6861      0.02824
      6       7.5996      0.00000
      7       8.0447      0.00000
      8       8.5477      0.00000
      9      10.1288      0.00000
     10      11.3377      0.00000
     11      11.9188      0.00000
     12      12.2957      0.00000

 k-point   391 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7641      2.00000
      2       0.7992      2.00000
      3       4.4898      2.00000
      4       4.5895      2.00000
      5       7.2514      0.00010
      6       7.6350      0.00000
      7       7.8709      0.00000
      8       8.3999      0.00000
      9      10.5298      0.00000
     10      10.9942      0.00000
     11      11.4255      0.00000
     12      12.3951      0.00000

 k-point   392 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6191      2.00000
      2       0.9240      2.00000
      3       3.5173      2.00000
      4       4.7270      2.00000
      5       6.8226      0.00729
      6       7.8052      0.00000
      7       8.1586      0.00000
      8       8.9667      0.00000
      9      10.0494      0.00000
     10      11.0982      0.00000
     11      11.6534      0.00000
     12      12.7938      0.00000

 k-point   393 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3770      2.00000
      2       1.1134      2.00000
      3       2.5523      2.00000
      4       4.9420      2.00000
      5       5.9957      1.86907
      6       7.9881      0.00000
      7       8.3940      0.00000
      8       9.2122      0.00000
      9      10.2022      0.00000
     10      11.4731      0.00000
     11      11.8230      0.00000
     12      12.6987      0.00000

 k-point   394 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0441      2.00000
      2       1.1968      2.00000
      3       1.8539      2.00000
      4       4.8487      2.00000
      5       5.6021      1.99727
      6       8.0430      0.00000
      7       8.3677      0.00000
      8       8.9601      0.00000
      9      11.1446      0.00000
     10      11.7557      0.00000
     11      11.8656      0.00000
     12      12.2110      0.00000

 k-point   395 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.6398      2.00000
      2       0.6578      2.00000
      3       1.9478      2.00000
      4       4.2392      2.00000
      5       5.8834      1.95542
      6       7.4849      0.00001
      7       8.6601      0.00000
      8       9.2213      0.00000
      9      11.0937      0.00000
     10      11.1556      0.00000
     11      12.1050      0.00000
     12      12.6766      0.00000

 k-point   396 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2484      2.00000
      2       0.0959      2.00000
      3       2.2317      2.00000
      4       3.7493      2.00000
      5       6.1207      1.60682
      6       7.1494      0.00028
      7       9.0069      0.00000
      8       9.4323      0.00000
      9      10.5224      0.00000
     10      10.9836      0.00000
     11      12.3710      0.00000
     12      12.8534      0.00000

 k-point   397 :      -0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2215      2.00000
      2       0.0604      2.00000
      3       2.2465      2.00000
      4       3.7251      2.00000
      5       5.8893      1.95277
      6       7.4702      0.00001
      7       9.1481      0.00000
      8       9.3419      0.00000
      9      10.3036      0.00000
     10      11.1903      0.00000
     11      12.4627      0.00000
     12      12.8820      0.00000

 k-point   398 :      -0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.5992      2.00000
      2       0.5946      2.00000
      3       1.9675      2.00000
      4       4.1896      2.00000
      5       5.5077      1.99894
      6       8.1102      0.00000
      7       8.8969      0.00000
      8       9.0743      0.00000
      9      10.5878      0.00000
     10      11.7560      0.00000
     11      12.3339      0.00000
     12      12.5997      0.00000

 k-point   399 :      -0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0081      2.00000
      2       1.1709      2.00000
      3       1.8175      2.00000
      4       4.7760      2.00000
      5       5.2748      1.99990
      6       8.3698      0.00000
      7       8.7336      0.00000
      8       9.1031      0.00000
      9      11.0307      0.00000
     10      11.8709      0.00000
     11      12.0909      0.00000
     12      12.4734      0.00000

 k-point   400 :      -0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3491      2.00000
      2       1.1289      2.00000
      3       2.4541      2.00000
      4       4.7744      2.00000
      5       5.8251      1.97486
      6       8.0987      0.00000
      7       8.4240      0.00000
      8       9.9784      0.00000
      9      10.5037      0.00000
     10      11.5212      0.00000
     11      11.7079      0.00000
     12      12.6820      0.00000

 k-point   401 :      -0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6002      2.00000
      2       0.9367      2.00000
      3       3.3930      2.00000
      4       4.6281      2.00000
      5       6.6645      0.03494
      6       7.8631      0.00000
      7       8.1039      0.00000
      8       9.2685      0.00000
      9      10.9409      0.00000
     10      11.2308      0.00000
     11      11.7249      0.00000
     12      12.6702      0.00000

 k-point   402 :      -0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7546      2.00000
      2       0.8057      2.00000
      3       4.2566      2.00000
      4       4.6835      2.00000
      5       7.1909      0.00018
      6       7.5783      0.00000
      7       7.8671      0.00000
      8       8.5846      0.00000
      9      10.6262      0.00000
     10      11.3787      0.00000
     11      12.0845      0.00000
     12      12.4479      0.00000

 k-point   403 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6595      2.00000
      2       0.8859      2.00000
      3       3.4352      2.00000
      4       5.2930      1.99988
      5       6.4665      0.22823
      6       7.4803      0.00001
      7       8.6051      0.00000
      8       8.9151      0.00000
      9      10.6108      0.00000
     10      11.0439      0.00000
     11      11.5296      0.00000
     12      12.6458      0.00000

 k-point   404 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6188      2.00000
      2       0.9245      2.00000
      3       3.5270      2.00000
      4       4.7160      2.00000
      5       6.8274      0.00695
      6       7.7917      0.00000
      7       8.1527      0.00000
      8       8.9798      0.00000
      9      10.0470      0.00000
     10      11.0911      0.00000
     11      11.6552      0.00000
     12      12.8036      0.00000

 k-point   405 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4783      2.00000
      2       1.0498      2.00000
      3       3.5649      2.00000
      4       3.8565      2.00000
      5       6.8852      0.00390
      6       7.3710      0.00003
      7       8.8092      0.00000
      8       8.9726      0.00000
      9       9.4312      0.00000
     10      11.7528      0.00000
     11      11.9287      0.00000
     12      12.5180      0.00000

 k-point   406 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.2403      2.00000
      2       1.2452      2.00000
      3       2.7103      2.00000
      4       3.9891      2.00000
      5       6.1309      1.57382
      6       7.3726      0.00003
      7       8.2632      0.00000
      8       9.2470      0.00000
      9      10.4395      0.00000
     10      11.5725      0.00000
     11      12.1322      0.00000
     12      12.6184      0.00000

 k-point   407 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.9108      2.00000
      2       1.3620      2.00000
      3       1.9850      2.00000
      4       4.2496      2.00000
      5       5.3477      1.99979
      6       7.1259      0.00035
      7       8.0232      0.00000
      8       9.4927      0.00000
      9      10.9316      0.00000
     10      11.7424      0.00000
     11      12.3940      0.00000
     12      12.9627      0.00000

 k-point   408 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.5075      2.00000
      2       0.8346      2.00000
      3       2.0692      2.00000
      4       4.2148      2.00000
      5       4.9919      1.99999
      6       6.5840      0.07646
      7       8.2409      0.00000
      8       9.7354      0.00000
      9      10.4660      0.00000
     10      12.2013      0.00000
     11      12.8939      0.00000
     12      13.2190      0.00000

 k-point   409 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.1071      2.00000
      2       0.2539      2.00000
      3       2.3724      2.00000
      4       3.8038      2.00000
      5       5.0621      1.99999
      6       6.3090      0.76697
      7       8.3773      0.00000
      8       9.9097      0.00000
      9      10.4142      0.00000
     10      11.9334      0.00000
     11      13.0345      0.00000
     12      13.4815      0.00000

 k-point   410 :      -0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.0528      2.00000
      2       0.1819      2.00000
      3       2.4034      2.00000
      4       3.7467      2.00000
      5       4.8734      2.00000
      6       6.5838      0.07663
      7       8.2391      0.00000
      8      10.2540      0.00000
      9      10.5636      0.00000
     10      11.6319      0.00000
     11      13.0092      0.00000
     12      13.7151      0.00000

 k-point   411 :      -0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.4263      2.00000
      2       0.7062      2.00000
      3       2.1086      2.00000
      4       4.0594      2.00000
      5       4.6868      2.00000
      6       7.1317      0.00033
      7       8.0247      0.00000
      8      10.3583      0.00000
      9      10.9108      0.00000
     10      11.7380      0.00000
     11      12.8040      0.00000
     12      13.5587      0.00000

 k-point   412 :      -0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.8391      2.00000
      2       1.3101      2.00000
      3       1.9061      2.00000
      4       4.0026      2.00000
      5       5.1277      1.99998
      6       7.3735      0.00003
      7       8.2801      0.00000
      8      10.0037      0.00000
      9      11.6372      0.00000
     10      11.9359      0.00000
     11      12.4070      0.00000
     12      12.8461      0.00000

 k-point   413 :      -0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.1848      2.00000
      2       1.2772      2.00000
      3       2.4940      2.00000
      4       3.8120      2.00000
      5       5.8924      1.95131
      6       7.2353      0.00012
      7       9.0871      0.00000
      8       9.6218      0.00000
      9      10.8296      0.00000
     10      12.0376      0.00000
     11      12.6190      0.00000
     12      12.7281      0.00000

 k-point   414 :      -0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4407      2.00000
      2       1.0747      2.00000
      3       3.2453      2.00000
      4       3.8482      2.00000
      5       6.6005      0.06525
      6       7.2384      0.00011
      7       9.0620      0.00000
      8       9.7034      0.00000
      9      10.0447      0.00000
     10      11.9154      0.00000
     11      12.1372      0.00000
     12      13.2265      0.00000

 k-point   415 :      -0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.5999      2.00000
      2       0.9371      2.00000
      3       3.4019      2.00000
      4       4.6176      2.00000
      5       6.6699      0.03313
      6       7.8509      0.00000
      7       8.0980      0.00000
      8       9.2804      0.00000
      9      10.9399      0.00000
     10      11.2222      0.00000
     11      11.7250      0.00000
     12      12.6747      0.00000

 k-point   416 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0754      2.00000
      3       2.4732      2.00000
      4       5.5221      1.99877
      5       5.7239      1.99079
      6       7.5580      0.00000
      7       8.8832      0.00000
      8       9.9485      0.00000
      9      10.1220      0.00000
     10      11.1654      0.00000
     11      11.4892      0.00000
     12      12.7083      0.00000

 k-point   417 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3761      2.00000
      2       1.1149      2.00000
      3       2.5598      2.00000
      4       4.9329      2.00000
      5       5.9999      1.86381
      6       7.9719      0.00000
      7       8.3849      0.00000
      8       9.2082      0.00000
      9      10.2161      0.00000
     10      11.4661      0.00000
     11      11.8230      0.00000
     12      12.6959      0.00000

 k-point   418 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.2398      2.00000
      2       1.2461      2.00000
      3       2.7173      2.00000
      4       3.9807      2.00000
      5       6.1364      1.55485
      6       7.3656      0.00003
      7       8.2597      0.00000
      8       9.2305      0.00000
      9      10.4580      0.00000
     10      11.5708      0.00000
     11      12.1272      0.00000
     12      12.6141      0.00000

 k-point   419 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.0055      2.00000
      2       1.4563      2.00000
      3       2.7894      2.00000
      4       3.1885      2.00000
      5       6.1406      1.54045
      6       6.4725      0.21620
      7       7.5451      0.00001
      8      10.4794      0.00000
      9      10.5286      0.00000
     10      11.0842      0.00000
     11      12.4262      0.00000
     12      13.4511      0.00000

 k-point   420 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.6788      2.00000
      2       1.6255      2.00000
      3       2.1692      2.00000
      4       3.3444      2.00000
      5       5.3959      1.99965
      6       6.1664      1.44281
      7       7.1975      0.00017
      8      10.0193      0.00000
      9      10.9862      0.00000
     10      12.0233      0.00000
     11      12.8391      0.00000
     12      13.9980      0.00000

 k-point   421 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.2756      2.00000
      2       1.1050      2.00000
      3       2.2675      2.00000
      4       3.6561      2.00000
      5       4.6068      2.00000
      6       5.7532      1.98768
      7       7.2717      0.00008
      8       9.5220      0.00000
      9      11.3222      0.00000
     10      12.7158      0.00000
     11      13.8916      0.00000
     12      14.0728      0.00000

 k-point   422 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.8643      2.00000
      2       0.5011      2.00000
      3       2.6074      2.00000
      4       3.8143      2.00000
      5       4.0470      2.00000
      6       5.5102      1.99891
      7       7.3626      0.00003
      8       9.3141      0.00000
      9      11.7014      0.00000
     10      12.9748      0.00000
     11      13.5272      0.00000
     12      14.7173      0.00000

 k-point   423 :      -0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.7816      2.00000
      2       0.3902      2.00000
      3       2.6576      2.00000
      4       3.5955      2.00000
      5       4.0732      2.00000
      6       5.6872      1.99361
      7       7.2801      0.00008
      8       9.5154      0.00000
      9      12.0154      0.00000
     10      12.8634      0.00000
     11      13.2587      0.00000
     12      14.8854      0.00000

 k-point   424 :      -0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.1537      2.00000
      2       0.9054      2.00000
      3       2.3193      2.00000
      4       3.3716      2.00000
      5       4.5136      2.00000
      6       6.1223      1.60182
      7       7.1694      0.00023
      8      10.0319      0.00000
      9      11.8980      0.00000
     10      12.7631      0.00000
     11      13.2534      0.00000
     12      14.5632      0.00000

 k-point   425 :      -0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.5721      2.00000
      2       1.5458      2.00000
      3       2.0152      2.00000
      4       3.1349      2.00000
      5       5.1860      1.99996
      6       6.3833      0.45649
      7       7.4424      0.00001
      8      10.7121      0.00000
      9      11.4986      0.00000
     10      12.3698      0.00000
     11      13.1799      0.00000
     12      13.5619      0.00000

 k-point   426 :      -0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.9232      2.00000
      2       1.5040      2.00000
      3       2.3916      2.00000
      4       3.1227      2.00000
      5       5.7862      1.98289
      6       6.5407      0.11556
      7       8.1809      0.00000
      8      10.8633      0.00000
      9      11.2007      0.00000
     10      11.6788      0.00000
     11      12.6853      0.00000
     12      13.4922      0.00000

 k-point   427 :      -0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1842      2.00000
      2       1.2783      2.00000
      3       2.5002      2.00000
      4       3.8041      2.00000
      5       5.8977      1.94875
      6       7.2281      0.00013
      7       9.0850      0.00000
      8       9.6056      0.00000
      9      10.8477      0.00000
     10      12.0376      0.00000
     11      12.6069      0.00000
     12      12.7249      0.00000

 k-point   428 :      -0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3482      2.00000
      2       1.1304      2.00000
      3       2.4614      2.00000
      4       4.7642      2.00000
      5       5.8305      1.97350
      6       8.0864      0.00000
      7       8.4113      0.00000
      8       9.9753      0.00000
      9      10.5189      0.00000
     10      11.5140      0.00000
     11      11.7030      0.00000
     12      12.6779      0.00000

 k-point   429 :      -0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4101      2.00000
      2       0.6705      2.00000
      3       2.8322      2.00000
      4       3.0184      2.00000
      5       3.8546      2.00000
      6       4.9902      1.99999
      7       6.4052      0.38402
      8       8.8402      0.00000
      9      13.5361      0.00000
     10      13.5915      0.00000
     11      14.0115      0.00000
     12      15.4870      0.00000

 k-point   430 :      -0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.7870      2.00000
      2       1.1671      2.00000
      3       2.3495      2.00000
      4       2.8248      2.00000
      5       4.5379      2.00000
      6       5.2184      1.99994
      7       6.4312      0.30963
      8       9.2944      0.00000
      9      13.2137      0.00000
     10      13.4615      0.00000
     11      14.2307      0.00000
     12      14.9886      0.00000

 k-point   431 :      -0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.7390      2.00000
      3       1.9686      2.00000
      4       2.6930      2.00000
      5       5.1565      1.99997
      6       5.5395      1.99854
      7       6.7695      0.01236
      8       9.9510      0.00000
      9      12.7565      0.00000
     10      12.8095      0.00000
     11      13.7672      0.00000
     12      14.2768      0.00000

 k-point   432 :      -0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.5713      2.00000
      2       1.5507      2.00000
      3       2.0153      2.00000
      4       3.1299      2.00000
      5       5.1895      1.99996
      6       6.3787      0.47301
      7       7.4403      0.00002
      8      10.7091      0.00000
      9      11.4817      0.00000
     10      12.3792      0.00000
     11      13.1900      0.00000
     12      13.5532      0.00000

 k-point   433 :      -0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8378      2.00000
      2       1.3151      2.00000
      3       1.9083      2.00000
      4       3.9954      2.00000
      5       5.1312      1.99998
      6       7.3665      0.00003
      7       8.2761      0.00000
      8       9.9858      0.00000
      9      11.6354      0.00000
     10      11.9354      0.00000
     11      12.4132      0.00000
     12      12.8429      0.00000

 k-point   434 :      -0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0065      2.00000
      2       1.1760      2.00000
      3       1.8206      2.00000
      4       4.7755      2.00000
      5       5.2698      1.99990
      6       8.3596      0.00000
      7       8.7186      0.00000
      8       9.0977      0.00000
      9      11.0201      0.00000
     10      11.8733      0.00000
     11      12.0944      0.00000
     12      12.4698      0.00000

 k-point   435 :      -0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1       0.0530      2.00000
      2       0.9738      2.00000
      3       2.0872      2.00000
      4       3.3100      2.00000
      5       3.6243      2.00000
      6       4.6611      2.00000
      7       5.6626      1.99500
      8       8.3201      0.00000
      9      14.0098      0.00000
     10      14.6531      0.00000
     11      15.0719      0.00000
     12      15.7312      0.00000

 k-point   436 :      -0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.3449      2.00000
      2       1.2997      2.00000
      3       1.9157      2.00000
      4       3.0684      2.00000
      5       4.2187      2.00000
      6       4.7321      2.00000
      7       5.9058      1.94456
      8       8.6990      0.00000
      9      13.6675      0.00000
     10      14.6494      0.00000
     11      14.8294      0.00000
     12      15.4564      0.00000

 k-point   437 :      -0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.7859      2.00000
      2       1.1702      2.00000
      3       2.3464      2.00000
      4       2.8250      2.00000
      5       4.5395      2.00000
      6       5.2159      1.99994
      7       6.4293      0.31472
      8       9.2929      0.00000
      9      13.2094      0.00000
     10      13.4487      0.00000
     11      14.2218      0.00000
     12      15.0098      0.00000

 k-point   438 :      -0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.1518      2.00000
      2       0.9096      2.00000
      3       2.3205      2.00000
      4       3.3670      2.00000
      5       4.5153      2.00000
      6       6.1183      1.61448
      7       7.1652      0.00024
      8      10.0285      0.00000
      9      11.8790      0.00000
     10      12.7576      0.00000
     11      13.2486      0.00000
     12      14.5830      0.00000

 k-point   439 :      -0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4238      2.00000
      2       0.7109      2.00000
      3       2.1108      2.00000
      4       4.0581      2.00000
      5       4.6833      2.00000
      6       7.1261      0.00035
      7       8.0183      0.00000
      8      10.3415      0.00000
      9      10.9046      0.00000
     10      11.7255      0.00000
     11      12.8078      0.00000
     12      13.5454      0.00000

 k-point   440 :      -0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5965      2.00000
      2       0.5997      2.00000
      3       1.9701      2.00000
      4       4.1924      2.00000
      5       5.4985      1.99903
      6       8.1034      0.00000
      7       8.8878      0.00000
      8       9.0590      0.00000
      9      10.5753      0.00000
     10      11.7501      0.00000
     11      12.3201      0.00000
     12      12.6035      0.00000

 k-point   441 :      -0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.5377      2.00000
      2       1.0789      2.00000
      3       1.6595      2.00000
      4       2.9914      2.00000
      5       3.9544      2.00000
      6       4.5188      2.00000
      7       5.1640      1.99997
      8       8.0185      0.00000
      9      14.4507      0.00000
     10      14.8209      0.00000
     11      15.3934      0.00000
     12      16.1711      0.00000

 k-point   442 :      -0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.0547      2.00000
      2       0.9742      2.00000
      3       2.0858      2.00000
      4       3.3100      2.00000
      5       3.6252      2.00000
      6       4.6599      2.00000
      7       5.6618      1.99504
      8       8.3191      0.00000
      9      14.0123      0.00000
     10      14.6488      0.00000
     11      15.0542      0.00000
     12      15.7298      0.00000

 k-point   443 :      -0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4075      2.00000
      2       0.6721      2.00000
      3       2.8292      2.00000
      4       3.0209      2.00000
      5       3.8539      2.00000
      6       4.9879      1.99999
      7       6.4028      0.39170
      8       8.8377      0.00000
      9      13.5162      0.00000
     10      13.5950      0.00000
     11      14.0004      0.00000
     12      15.4793      0.00000

 k-point   444 :      -0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.7782      2.00000
      2       0.3926      2.00000
      3       2.6609      2.00000
      4       3.5928      2.00000
      5       4.0712      2.00000
      6       5.6829      1.99388
      7       7.2758      0.00008
      8       9.5110      0.00000
      9      11.9968      0.00000
     10      12.8477      0.00000
     11      13.2630      0.00000
     12      14.8830      0.00000

 k-point   445 :      -0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0490      2.00000
      2       0.1849      2.00000
      3       2.4073      2.00000
      4       3.7472      2.00000
      5       4.8669      2.00000
      6       6.5775      0.08139
      7       8.2329      0.00000
      8      10.2469      0.00000
      9      10.5471      0.00000
     10      11.6174      0.00000
     11      13.0138      0.00000
     12      13.6997      0.00000

 k-point   446 :      -0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2174      2.00000
      2       0.0638      2.00000
      3       2.2506      2.00000
      4       3.7264      2.00000
      5       5.8808      1.95654
      6       7.4621      0.00001
      7       9.1374      0.00000
      8       9.3298      0.00000
      9      10.2900      0.00000
     10      11.1823      0.00000
     11      12.4491      0.00000
     12      12.8862      0.00000

 k-point   447 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4706      2.00000
      2      -0.0619      2.00000
      3       5.4056      1.99962
      4       5.6354      1.99619
      5       6.8692      0.00458
      6       7.3578      0.00003
      7       7.6771      0.00000
      8       7.6906      0.00000
      9       8.8493      0.00000
     10      11.4197      0.00000
     11      13.1300      0.00000
     12      13.7785      0.00000

 k-point   448 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4196      2.00000
      2      -0.0180      2.00000
      3       4.8320      2.00000
      4       5.5880      1.99763
      5       6.7634      0.01314
      6       7.4598      0.00001
      7       7.7011      0.00000
      8       7.9350      0.00000
      9       9.3557      0.00000
     10      11.5980      0.00000
     11      12.4496      0.00000
     12      13.1132      0.00000

 k-point   449 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.2673      2.00000
      2       0.1115      2.00000
      3       3.8082      2.00000
      4       5.7077      1.99216
      5       5.9318      1.92863
      6       7.6067      0.00000
      7       7.8603      0.00000
      8       8.9837      0.00000
      9      10.1220      0.00000
     10      11.3747      0.00000
     11      12.2544      0.00000
     12      12.9339      0.00000

 k-point   450 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.0159      2.00000
      2       0.3192      2.00000
      3       2.8091      2.00000
      4       5.0235      1.99999
      5       5.9553      1.91063
      6       7.8417      0.00000
      7       8.1000      0.00000
      8       9.7847      0.00000
      9      10.4194      0.00000
     10      11.1425      0.00000
     11      12.3293      0.00000
     12      12.7434      0.00000

 k-point   451 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.6709      2.00000
      2       0.5788      2.00000
      3       1.9120      2.00000
      4       4.2069      2.00000
      5       6.2744      0.93577
      6       8.1540      0.00000
      7       8.4227      0.00000
      8       9.5010      0.00000
      9      10.2153      0.00000
     10      11.5977      0.00000
     11      11.9613      0.00000
     12      12.5181      0.00000

 k-point   452 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.2496      2.00000
      2       0.7127      2.00000
      3       1.2937      2.00000
      4       3.5188      2.00000
      5       6.6737      0.03191
      6       8.4095      0.00000
      7       8.7954      0.00000
      8       8.8961      0.00000
      9      10.2691      0.00000
     10      10.8822      0.00000
     11      11.4172      0.00000
     12      13.5935      0.00000

 k-point   453 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.8350      2.00000
      2       0.3226      2.00000
      3       1.3412      2.00000
      4       3.0685      2.00000
      5       7.0909      0.00050
      6       8.0301      0.00000
      7       9.0383      0.00000
      8       9.1683      0.00000
      9      10.0520      0.00000
     10      10.3622      0.00000
     11      11.1975      0.00000
     12      13.4983      0.00000

 k-point   454 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.4195      2.00000
      2      -0.0179      2.00000
      3       4.8434      2.00000
      4       5.5756      1.99790
      5       6.7643      0.01302
      6       7.4586      0.00001
      7       7.6908      0.00000
      8       7.9413      0.00000
      9       9.3579      0.00000
     10      11.6015      0.00000
     11      12.4489      0.00000
     12      13.1130      0.00000

 k-point   455 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3735      2.00000
      2       0.0228      2.00000
      3       4.9230      2.00000
      4       4.9436      2.00000
      5       6.9246      0.00263
      6       7.2890      0.00007
      7       7.8090      0.00000
      8       8.1946      0.00000
      9       9.7182      0.00000
     10      11.3099      0.00000
     11      11.8790      0.00000
     12      13.1676      0.00000

 k-point   456 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2260      2.00000
      2       0.1497      2.00000
      3       3.9028      2.00000
      4       5.0787      1.99999
      5       6.1488      1.51068
      6       7.4025      0.00002
      7       8.1619      0.00000
      8       9.1467      0.00000
      9      10.2945      0.00000
     10      10.5166      0.00000
     11      12.1981      0.00000
     12      12.9259      0.00000

 k-point   457 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9793      2.00000
      2       0.3558      2.00000
      3       2.9015      2.00000
      4       4.9468      2.00000
      5       5.6547      1.99538
      6       7.6521      0.00000
      7       8.3647      0.00000
      8       9.4748      0.00000
      9      10.1783      0.00000
     10      11.1653      0.00000
     11      11.9760      0.00000
     12      13.1865      0.00000

 k-point   458 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6385      2.00000
      2       0.6167      2.00000
      3       1.9984      2.00000
      4       4.2430      2.00000
      5       5.8906      1.95216
      6       7.9464      0.00000
      7       8.5086      0.00000
      8       8.8051      0.00000
      9      10.5738      0.00000
     10      11.2550      0.00000
     11      12.5484      0.00000
     12      12.6350      0.00000

 k-point   459 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.2198      2.00000
      2       0.7718      2.00000
      3       1.3546      2.00000
      4       3.5643      2.00000
      5       6.2825      0.89566
      6       7.8075      0.00000
      7       8.4321      0.00000
      8       8.9949      0.00000
      9      10.3679      0.00000
     10      11.0900      0.00000
     11      12.0421      0.00000
     12      13.8870      0.00000

 k-point   460 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.7987      2.00000
      2       0.3901      2.00000
      3       1.3874      2.00000
      4       3.1013      2.00000
      5       6.5508      0.10505
      6       7.4717      0.00001
      7       8.5911      0.00000
      8       9.3797      0.00000
      9      10.1313      0.00000
     10      10.9083      0.00000
     11      11.7519      0.00000
     12      14.0084      0.00000

 k-point   461 :      -0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.7681      2.00000
      2       0.3548      2.00000
      3       1.3960      2.00000
      4       3.0794      2.00000
      5       6.2908      0.85472
      6       7.7916      0.00000
      7       8.4585      0.00000
      8       9.7161      0.00000
      9      10.2233      0.00000
     10      10.7714      0.00000
     11      11.6890      0.00000
     12      13.8513      0.00000

 k-point   462 :      -0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.1768      2.00000
      2       0.7561      2.00000
      3       1.3233      2.00000
      4       3.5153      2.00000
      5       5.8779      1.95778
      6       7.9743      0.00000
      7       8.6399      0.00000
      8       9.4843      0.00000
      9      10.7479      0.00000
     10      11.0897      0.00000
     11      11.6437      0.00000
     12      13.8125      0.00000

 k-point   463 :      -0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6011      2.00000
      2       0.6380      2.00000
      3       1.9146      2.00000
      4       4.1862      2.00000
      5       5.5243      1.99874
      6       7.6860      0.00000
      7       9.0829      0.00000
      8       9.4386      0.00000
      9      10.9635      0.00000
     10      11.7234      0.00000
     11      11.8881      0.00000
     12      12.6567      0.00000

 k-point   464 :      -0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9504      2.00000
      2       0.3749      2.00000
      3       2.8026      2.00000
      4       4.9044      2.00000
      5       5.3395      1.99980
      6       7.4162      0.00002
      7       8.7191      0.00000
      8      10.3490      0.00000
      9      10.5323      0.00000
     10      11.3206      0.00000
     11      12.3882      0.00000
     12      12.7127      0.00000

 k-point   465 :      -0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2065      2.00000
      2       0.1630      2.00000
      3       3.7870      2.00000
      4       4.9897      1.99999
      5       5.9620      1.90473
      6       7.2147      0.00015
      7       8.3947      0.00000
      8       9.4232      0.00000
      9      10.5482      0.00000
     10      11.3989      0.00000
     11      12.3793      0.00000
     12      12.9817      0.00000

 k-point   466 :      -0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3637      2.00000
      2       0.0295      2.00000
      3       4.6836      2.00000
      4       5.0473      1.99999
      5       6.7474      0.01540
      6       7.1492      0.00028
      7       7.9444      0.00000
      8       8.4379      0.00000
      9       9.8238      0.00000
     10      11.8068      0.00000
     11      12.4496      0.00000
     12      13.2828      0.00000

 k-point   467 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2669      2.00000
      2       0.1120      2.00000
      3       3.8184      2.00000
      4       5.6964      1.99300
      5       5.9373      1.92481
      6       7.5922      0.00000
      7       7.8485      0.00000
      8       8.9916      0.00000
      9      10.1263      0.00000
     10      11.3727      0.00000
     11      12.2654      0.00000
     12      12.9310      0.00000

 k-point   468 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2257      2.00000
      2       0.1501      2.00000
      3       3.9128      2.00000
      4       5.0688      1.99999
      5       6.1544      1.48945
      6       7.3921      0.00002
      7       8.1468      0.00000
      8       9.1591      0.00000
      9      10.2914      0.00000
     10      10.5178      0.00000
     11      12.2056      0.00000
     12      12.9261      0.00000

 k-point   469 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0831      2.00000
      2       0.2761      2.00000
      3       4.0237      2.00000
      4       4.1378      2.00000
      5       6.0397      1.80376
      6       6.7750      0.01171
      7       9.2508      0.00000
      8       9.3635      0.00000
      9       9.5564      0.00000
     10      11.1479      0.00000
     11      11.7027      0.00000
     12      12.9100      0.00000

 k-point   470 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.8410      2.00000
      2       0.4833      2.00000
      3       3.0777      2.00000
      4       4.2968      2.00000
      5       5.4034      1.99962
      6       6.7692      0.01240
      7       8.5083      0.00000
      8       9.5854      0.00000
      9      10.6876      0.00000
     10      10.9720      0.00000
     11      11.9135      0.00000
     12      13.5092      0.00000

 k-point   471 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.5043      2.00000
      2       0.7500      2.00000
      3       2.1726      2.00000
      4       4.2080      2.00000
      5       5.0405      1.99999
      6       6.9373      0.00232
      7       7.7563      0.00000
      8       9.7522      0.00000
      9      10.3726      0.00000
     10      11.7782      0.00000
     11      12.7595      0.00000
     12      13.6676      0.00000

 k-point   472 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.0878      2.00000
      2       0.9330      2.00000
      3       1.5040      2.00000
      4       3.6415      2.00000
      5       5.2933      1.99988
      6       6.7866      0.01043
      7       7.4879      0.00001
      8       9.5712      0.00000
      9      10.3751      0.00000
     10      12.2328      0.00000
     11      13.2123      0.00000
     12      14.0028      0.00000

 k-point   473 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.6596      2.00000
      2       0.5567      2.00000
      3       1.5332      2.00000
      4       3.1743      2.00000
      5       5.4997      1.99902
      6       6.5230      0.13639
      7       7.5507      0.00001
      8       9.4173      0.00000
      9      10.7066      0.00000
     10      12.2331      0.00000
     11      12.9060      0.00000
     12      14.5461      0.00000

 k-point   474 :      -0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.5982      2.00000
      2       0.4850      2.00000
      3       1.5523      2.00000
      4       3.1281      2.00000
      5       5.2537      1.99992
      6       6.7958      0.00952
      7       7.4975      0.00001
      8       9.6509      0.00000
      9      10.9932      0.00000
     10      11.9362      0.00000
     11      12.9412      0.00000
     12      14.5897      0.00000

 k-point   475 :      -0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.0019      2.00000
      2       0.9015      2.00000
      3       1.4418      2.00000
      4       3.5393      2.00000
      5       4.8788      2.00000
      6       6.9381      0.00230
      7       7.7757      0.00000
      8      10.1705      0.00000
      9      10.8749      0.00000
     10      12.0693      0.00000
     11      12.8855      0.00000
     12      14.1576      0.00000

 k-point   476 :      -0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.4297      2.00000
      2       0.7937      2.00000
      3       2.0016      2.00000
      4       4.0743      2.00000
      5       4.6641      2.00000
      6       6.7412      0.01637
      7       8.5353      0.00000
      8      10.3557      0.00000
      9      11.0253      0.00000
     10      12.1947      0.00000
     11      12.8015      0.00000
     12      13.0431      0.00000

 k-point   477 :      -0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.7834      2.00000
      2       0.5215      2.00000
      3       2.8686      2.00000
      4       4.1207      2.00000
      5       5.1319      1.99998
      6       6.5652      0.09154
      7       9.4493      0.00000
      8      10.0028      0.00000
      9      11.1279      0.00000
     10      11.8201      0.00000
     11      12.1735      0.00000
     12      13.3435      0.00000

 k-point   478 :      -0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0443      2.00000
      2       0.3023      2.00000
      3       3.6864      2.00000
      4       4.1448      2.00000
      5       5.7804      1.98386
      6       6.6072      0.06111
      7       9.4907      0.00000
      8       9.9339      0.00000
      9      10.4431      0.00000
     10      11.3929      0.00000
     11      12.5722      0.00000
     12      13.0831      0.00000

 k-point   479 :      -0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2062      2.00000
      2       0.1634      2.00000
      3       3.7966      2.00000
      4       4.9791      1.99999
      5       5.9684      1.89873
      6       7.2052      0.00016
      7       8.3802      0.00000
      8       9.4357      0.00000
      9      10.5461      0.00000
     10      11.3978      0.00000
     11      12.3882      0.00000
     12      12.9773      0.00000

 k-point   480 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0150      2.00000
      2       0.3204      2.00000
      3       2.8175      2.00000
      4       5.0297      1.99999
      5       5.9430      1.92052
      6       7.8258      0.00000
      7       8.0886      0.00000
      8       9.7781      0.00000
      9      10.4162      0.00000
     10      11.1587      0.00000
     11      12.3228      0.00000
     12      12.7411      0.00000

 k-point   481 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9785      2.00000
      2       0.3569      2.00000
      3       2.9097      2.00000
      4       4.9484      2.00000
      5       5.6482      1.99567
      6       7.6417      0.00000
      7       8.3481      0.00000
      8       9.4704      0.00000
      9      10.1776      0.00000
     10      11.1752      0.00000
     11      11.9764      0.00000
     12      13.1818      0.00000

 k-point   482 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.8404      2.00000
      2       0.4839      2.00000
      3       3.0855      2.00000
      4       4.2894      2.00000
      5       5.4069      1.99961
      6       6.7623      0.01329
      7       8.5061      0.00000
      8       9.5670      0.00000
      9      10.7037      0.00000
     10      10.9670      0.00000
     11      11.9130      0.00000
     12      13.5159      0.00000

 k-point   483 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.6027      2.00000
      2       0.6957      2.00000
      3       3.2518      2.00000
      4       3.4309      2.00000
      5       5.2838      1.99989
      6       6.0710      1.74098
      7       7.6239      0.00000
      8      10.0780      0.00000
      9      10.9192      0.00000
     10      11.2153      0.00000
     11      12.7594      0.00000
     12      13.8377      0.00000

 k-point   484 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.2698      2.00000
      2       0.9739      2.00000
      3       2.4272      2.00000
      4       3.6376      2.00000
      5       4.7393      2.00000
      6       5.9414      1.92174
      7       6.8899      0.00372
      8       9.4469      0.00000
      9      11.3578      0.00000
     10      12.4799      0.00000
     11      13.4621      0.00000
     12      14.2083      0.00000

 k-point   485 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.8550      2.00000
      2       1.1947      2.00000
      3       1.7350      2.00000
      4       3.6572      2.00000
      5       4.3909      2.00000
      6       5.7923      1.98183
      7       6.5391      0.11729
      8       8.9733      0.00000
      9      11.7089      0.00000
     10      13.4945      0.00000
     11      14.1869      0.00000
     12      14.4864      0.00000

 k-point   486 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.4191      2.00000
      2       0.8197      2.00000
      3       1.7749      2.00000
      4       3.2726      2.00000
      5       4.4692      2.00000
      6       5.5754      1.99791
      7       6.5279      0.13026
      8       8.7839      0.00000
      9      12.1026      0.00000
     10      13.6471      0.00000
     11      14.2384      0.00000
     12      14.8075      0.00000

 k-point   487 :      -0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.3262      2.00000
      2       0.7093      2.00000
      3       1.8091      2.00000
      4       3.1914      2.00000
      5       4.2734      2.00000
      6       5.7792      1.98405
      7       6.5389      0.11754
      8       8.9544      0.00000
      9      12.4394      0.00000
     10      13.3169      0.00000
     11      14.3381      0.00000
     12      14.8405      0.00000

 k-point   488 :      -0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.7267      2.00000
      2       1.1469      2.00000
      3       1.6409      2.00000
      4       3.4602      2.00000
      5       4.0656      2.00000
      6       5.9313      1.92904
      7       6.8559      0.00523
      8       9.4261      0.00000
      9      12.3207      0.00000
     10      13.3955      0.00000
     11      14.2446      0.00000
     12      14.4540      0.00000

 k-point   489 :      -0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.1589      2.00000
      2       1.0418      2.00000
      3       2.1527      2.00000
      4       3.3988      2.00000
      5       4.4319      2.00000
      6       5.8620      1.96386
      7       7.5803      0.00000
      8      10.0923      0.00000
      9      11.9017      0.00000
     10      13.0711      0.00000
     11      13.6736      0.00000
     12      14.1187      0.00000

 k-point   490 :      -0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.5173      2.00000
      2       0.7524      2.00000
      3       2.8381      2.00000
      4       3.3606      2.00000
      5       4.9476      2.00000
      6       5.9630      1.90375
      7       8.4731      0.00000
      8      10.8490      0.00000
      9      11.2933      0.00000
     10      11.8335      0.00000
     11      13.1147      0.00000
     12      14.0344      0.00000

 k-point   491 :      -0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7829      2.00000
      2       0.5222      2.00000
      3       2.8759      2.00000
      4       4.1129      2.00000
      5       5.1357      1.99997
      6       6.5587      0.09739
      7       9.4475      0.00000
      8       9.9849      0.00000
      9      11.1449      0.00000
     10      11.8132      0.00000
     11      12.1722      0.00000
     12      13.3360      0.00000

 k-point   492 :      -0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9496      2.00000
      2       0.3760      2.00000
      3       2.8108      2.00000
      4       4.9051      2.00000
      5       5.3338      1.99981
      6       7.4062      0.00002
      7       8.7026      0.00000
      8      10.3452      0.00000
      9      10.5313      0.00000
     10      11.3311      0.00000
     11      12.3804      0.00000
     12      12.7112      0.00000

 k-point   493 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6692      2.00000
      2       0.5812      2.00000
      3       1.9185      2.00000
      4       4.2116      2.00000
      5       6.2628      0.99352
      6       8.1385      0.00000
      7       8.4119      0.00000
      8       9.4941      0.00000
      9      10.2036      0.00000
     10      11.5884      0.00000
     11      11.9564      0.00000
     12      12.5403      0.00000

 k-point   494 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6370      2.00000
      2       0.6189      2.00000
      3       2.0047      2.00000
      4       4.2473      2.00000
      5       5.8807      1.95661
      6       7.9371      0.00000
      7       8.4961      0.00000
      8       8.7950      0.00000
      9      10.5616      0.00000
     10      11.2516      0.00000
     11      12.5657      0.00000
     12      12.6296      0.00000

 k-point   495 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5030      2.00000
      2       0.7518      2.00000
      3       2.1786      2.00000
      4       4.2088      2.00000
      5       5.0354      1.99999
      6       6.9303      0.00249
      7       7.7522      0.00000
      8       9.7364      0.00000
      9      10.3656      0.00000
     10      11.7740      0.00000
     11      12.7736      0.00000
     12      13.6618      0.00000

 k-point   496 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.2690      2.00000
      2       0.9750      2.00000
      3       2.4327      2.00000
      4       3.6322      2.00000
      5       4.7414      2.00000
      6       5.9368      1.92511
      7       6.8879      0.00380
      8       9.4447      0.00000
      9      11.3377      0.00000
     10      12.4963      0.00000
     11      13.4555      0.00000
     12      14.2090      0.00000

 k-point   497 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.9392      2.00000
      2       1.2743      2.00000
      3       2.6626      2.00000
      4       2.8686      2.00000
      5       4.7068      2.00000
      6       5.1172      1.99998
      7       6.1519      1.49922
      8       8.8400      0.00000
      9      12.7435      0.00000
     10      12.9416      0.00000
     11      14.4550      0.00000
     12      14.5628      0.00000

 k-point   498 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.5252      2.00000
      2       1.5515      2.00000
      3       2.0302      2.00000
      4       3.1287      2.00000
      5       4.1172      2.00000
      6       4.8896      2.00000
      7       5.6885      1.99353
      8       8.4026      0.00000
      9      13.2063      0.00000
     10      14.2566      0.00000
     11      14.9671      0.00000
     12      15.1549      0.00000

 k-point   499 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.0799      2.00000
      2       1.1714      2.00000
      3       2.1050      2.00000
      4       3.3280      2.00000
      5       3.5487      2.00000
      6       4.7471      2.00000
      7       5.5837      1.99773
      8       8.2186      0.00000
      9      13.6051      0.00000
     10      14.8901      0.00000
     11      15.2797      0.00000
     12      15.6206      0.00000

 k-point   500 :      -0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1       0.0454      2.00000
      2       1.0167      2.00000
      3       2.1625      2.00000
      4       3.1022      2.00000
      5       3.5384      2.00000
      6       4.8486      2.00000
      7       5.6576      1.99524
      8       8.3403      0.00000
      9      13.9546      0.00000
     10      14.7274      0.00000
     11      15.1669      0.00000
     12      15.7514      0.00000

 k-point   501 :      -0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.3562      2.00000
      2       1.4835      2.00000
      3       1.8888      2.00000
      4       2.8666      2.00000
      5       3.8971      2.00000
      6       5.0062      1.99999
      7       6.0228      1.83170
      8       8.7410      0.00000
      9      13.8421      0.00000
     10      14.6259      0.00000
     11      14.8563      0.00000
     12      15.4931      0.00000

 k-point   502 :      -0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.7944      2.00000
      2       1.3654      2.00000
      3       2.1879      2.00000
      4       2.7661      2.00000
      5       4.3114      2.00000
      6       5.2257      1.99994
      7       6.7138      0.02149
      8       9.3481      0.00000
      9      13.2351      0.00000
     10      13.6901      0.00000
     11      14.6087      0.00000
     12      14.7890      0.00000

 k-point   503 :      -0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.1581      2.00000
      2       1.0430      2.00000
      3       2.1576      2.00000
      4       3.3934      2.00000
      5       4.4340      2.00000
      6       5.8576      1.96537
      7       7.5786      0.00000
      8      10.0904      0.00000
      9      11.8828      0.00000
     10      13.0875      0.00000
     11      13.6650      0.00000
     12      14.1085      0.00000

 k-point   504 :      -0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.4284      2.00000
      2       0.7956      2.00000
      3       2.0074      2.00000
      4       4.0741      2.00000
      5       4.6598      2.00000
      6       6.7340      0.01758
      7       8.5318      0.00000
      8      10.3381      0.00000
      9      11.0214      0.00000
     10      12.1836      0.00000
     11      12.8058      0.00000
     12      13.0456      0.00000

 k-point   505 :      -0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5995      2.00000
      2       0.6403      2.00000
      3       1.9208      2.00000
      4       4.1905      2.00000
      5       5.5140      1.99887
      6       7.6764      0.00000
      7       9.0666      0.00000
      8       9.4334      0.00000
      9      10.9501      0.00000
     10      11.7155      0.00000
     11      11.8820      0.00000
     12      12.6781      0.00000

 k-point   506 :      -0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.5081      2.00000
      2       1.3683      2.00000
      3       2.4572      2.00000
      4       2.6166      2.00000
      5       3.4105      2.00000
      6       4.0652      2.00000
      7       4.8986      2.00000
      8       7.8780      0.00000
      9      15.4116      0.00000
     10      15.6080      0.00000
     11      15.9053      0.00000
     12      16.8308      0.00000

 k-point   507 :      -0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.0930      2.00000
      2       1.7497      2.00000
      3       2.0342      2.00000
      4       2.4612      2.00000
      5       3.8839      2.00000
      6       4.2352      2.00000
      7       5.3430      1.99979
      8       8.2055      0.00000
      9      15.1431      0.00000
     10      15.1830      0.00000
     11      15.6249      0.00000
     12      16.1632      0.00000

 k-point   508 :      -0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.3551      2.00000
      2       1.4869      2.00000
      3       1.8894      2.00000
      4       2.8634      2.00000
      5       3.8979      2.00000
      6       5.0035      1.99999
      7       6.0213      1.83405
      8       8.7396      0.00000
      9      13.8222      0.00000
     10      14.6180      0.00000
     11      14.8602      0.00000
     12      15.5017      0.00000

 k-point   509 :      -0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7249      2.00000
      2       1.1508      2.00000
      3       1.6432      2.00000
      4       3.4592      2.00000
      5       4.0626      2.00000
      6       5.9265      1.93222
      7       6.8526      0.00540
      8       9.4229      0.00000
      9      12.3012      0.00000
     10      13.3789      0.00000
     11      14.2319      0.00000
     12      14.4624      0.00000

 k-point   510 :      -0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9995      2.00000
      2       0.9059      2.00000
      3       1.4449      2.00000
      4       3.5414      2.00000
      5       4.8713      2.00000
      6       6.9313      0.00246
      7       7.7706      0.00000
      8      10.1643      0.00000
      9      10.8584      0.00000
     10      12.0538      0.00000
     11      12.8702      0.00000
     12      14.1709      0.00000

 k-point   511 :      -0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1741      2.00000
      2       0.7606      2.00000
      3       1.3270      2.00000
      4       3.5181      2.00000
      5       5.8682      1.96161
      6       7.9657      0.00000
      7       8.6331      0.00000
      8       9.4684      0.00000
      9      10.7363      0.00000
     10      11.0806      0.00000
     11      11.6300      0.00000
     12      13.8050      0.00000

 k-point   512 :      -0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9925      2.00000
      2       1.5293      2.00000
      3       2.0663      2.00000
      4       3.0157      2.00000
      5       3.1968      2.00000
      6       3.6693      2.00000
      7       4.3462      2.00000
      8       7.6173      0.00000
      9      16.0109      0.00000
     10      16.2201      0.00000
     11      16.6361      0.00000
     12      16.8286      0.00000

 k-point   513 :      -0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.5097      2.00000
      2       1.3690      2.00000
      3       2.4557      2.00000
      4       2.6184      2.00000
      5       3.4099      2.00000
      6       4.0634      2.00000
      7       4.8978      2.00000
      8       7.8771      0.00000
      9      15.3957      0.00000
     10      15.6097      0.00000
     11      15.8944      0.00000
     12      16.8170      0.00000

 k-point   514 :      -0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.0480      2.00000
      2       1.0186      2.00000
      3       2.1652      2.00000
      4       3.1003      2.00000
      5       3.5368      2.00000
      6       4.8454      2.00000
      7       5.6552      1.99536
      8       8.3380      0.00000
      9      13.9344      0.00000
     10      14.7088      0.00000
     11      15.1721      0.00000
     12      15.7331      0.00000

 k-point   515 :      -0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3229      2.00000
      2       0.7120      2.00000
      3       1.8126      2.00000
      4       3.1914      2.00000
      5       4.2686      2.00000
      6       5.7743      1.98480
      7       6.5347      0.12227
      8       8.9501      0.00000
      9      12.4207      0.00000
     10      13.2983      0.00000
     11      14.3204      0.00000
     12      14.8466      0.00000

 k-point   516 :      -0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5944      2.00000
      2       0.4884      2.00000
      3       1.5563      2.00000
      4       3.1287      2.00000
      5       5.2469      1.99992
      6       6.7892      0.01016
      7       7.4915      0.00001
      8       9.6445      0.00000
      9      10.9766      0.00000
     10      11.9196      0.00000
     11      12.9252      0.00000
     12      14.5957      0.00000

 k-point   517 :      -0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7641      2.00000
      2       0.3585      2.00000
      3       1.4003      2.00000
      4       3.0804      2.00000
      5       6.2821      0.89738
      6       7.7834      0.00000
      7       8.4505      0.00000
      8       9.7014      0.00000
      9      10.2131      0.00000
     10      10.7585      0.00000
     11      11.6746      0.00000
     12      13.8396      0.00000

 k-point   518 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.1202      2.00000
      2      -0.6070      2.00000
      3       5.7759      1.98457
      4       6.1188      1.61278
      5       6.9965      0.00128
      6       7.1173      0.00038
      7       7.4193      0.00002
      8       7.4326      0.00002
      9       8.1163      0.00000
     10      11.2691      0.00000
     11      13.6654      0.00000
     12      14.0319      0.00000

 k-point   519 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0676      2.00000
      2      -0.5644      2.00000
      3       5.2207      1.99994
      4       6.0203      1.83543
      5       6.3483      0.59156
      6       7.1012      0.00045
      7       7.6402      0.00000
      8       8.1333      0.00000
      9       8.6841      0.00000
     10      11.4359      0.00000
     11      12.7810      0.00000
     12      14.1338      0.00000

 k-point   520 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9102      2.00000
      2      -0.4381      2.00000
      3       4.1740      2.00000
      4       5.4033      1.99963
      5       6.1517      1.49985
      6       7.2411      0.00011
      7       7.8314      0.00000
      8       8.9820      0.00000
      9       9.8334      0.00000
     10      11.7081      0.00000
     11      11.9879      0.00000
     12      13.2400      0.00000

 k-point   521 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6493      2.00000
      2      -0.2341      2.00000
      3       3.1411      2.00000
      4       4.5153      2.00000
      5       6.3756      0.48447
      6       7.4757      0.00001
      7       8.1033      0.00000
      8       9.4842      0.00000
      9      10.7532      0.00000
     10      11.2559      0.00000
     11      12.1935      0.00000
     12      12.6861      0.00000

 k-point   522 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.2879      2.00000
      2       0.0330      2.00000
      3       2.1877      2.00000
      4       3.7201      2.00000
      5       6.6927      0.02647
      6       7.7962      0.00000
      7       8.4672      0.00000
      8       9.7242      0.00000
      9       9.9141      0.00000
     10      11.3713      0.00000
     11      11.8669      0.00000
     12      12.8017      0.00000

 k-point   523 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.8359      2.00000
      2       0.3245      2.00000
      3       1.3399      2.00000
      4       3.0688      2.00000
      5       7.0917      0.00050
      6       8.1800      0.00000
      7       8.8433      0.00000
      8       9.1677      0.00000
      9       9.8682      0.00000
     10      10.6911      0.00000
     11      11.0826      0.00000
     12      13.5120      0.00000

 k-point   524 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.3504      2.00000
      2       0.5017      2.00000
      3       0.7034      2.00000
      4       2.6627      2.00000
      5       7.5178      0.00001
      6       8.4102      0.00000
      7       8.5544      0.00000
      8       9.4538      0.00000
      9       9.7346      0.00000
     10      10.2296      0.00000
     11      10.5625      0.00000
     12      13.3905      0.00000

 k-point   525 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5643      2.00000
      3       5.2322      1.99993
      4       6.0088      1.85198
      5       6.3564      0.55809
      6       7.0889      0.00051
      7       7.6240      0.00000
      8       8.1422      0.00000
      9       8.6933      0.00000
     10      11.4388      0.00000
     11      12.7802      0.00000
     12      14.1340      0.00000

 k-point   526 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0202      2.00000
      2      -0.5245      2.00000
      3       5.2051      1.99995
      4       5.4681      1.99928
      5       6.2219      1.19565
      6       6.8862      0.00386
      7       8.2176      0.00000
      8       8.3415      0.00000
      9       8.9844      0.00000
     10      11.4672      0.00000
     11      11.8231      0.00000
     12      13.3778      0.00000

 k-point   527 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8680      2.00000
      2      -0.4007      2.00000
      3       4.2676      2.00000
      4       5.3107      1.99985
      5       5.7079      1.99215
      6       6.9032      0.00326
      7       8.4524      0.00000
      8       9.2990      0.00000
      9       9.8845      0.00000
     10      10.7400      0.00000
     11      11.7323      0.00000
     12      12.7936      0.00000

 k-point   528 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.6123      2.00000
      2      -0.1984      2.00000
      3       3.2379      2.00000
      4       4.5484      2.00000
      5       5.8960      1.94960
      6       7.1140      0.00040
      7       8.6636      0.00000
      8       9.7222      0.00000
      9       9.9181      0.00000
     10      11.1849      0.00000
     11      11.4727      0.00000
     12      13.1867      0.00000

 k-point   529 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2559      2.00000
      2       0.0684      2.00000
      3       2.2821      2.00000
      4       3.7685      2.00000
      5       6.2612      1.00145
      6       7.4094      0.00002
      7       8.9176      0.00000
      8       8.9605      0.00000
      9       9.9951      0.00000
     10      10.9562      0.00000
     11      12.7639      0.00000
     12      12.9773      0.00000

 k-point   530 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.8079      2.00000
      2       0.3627      2.00000
      3       1.4293      2.00000
      4       3.1140      2.00000
      5       6.7021      0.02413
      6       7.7191      0.00000
      7       8.1904      0.00000
      8       9.3158      0.00000
      9       9.7926      0.00000
     10      10.8490      0.00000
     11      12.1304      0.00000
     12      14.1147      0.00000

 k-point   531 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.3195      2.00000
      2       0.5559      2.00000
      3       0.7731      2.00000
      4       2.6934      2.00000
      5       7.0189      0.00103
      6       7.7323      0.00000
      7       7.9317      0.00000
      8       9.5339      0.00000
      9       9.8792      0.00000
     10      10.8696      0.00000
     11      11.4121      0.00000
     12      13.8614      0.00000

 k-point   532 :      -0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.2783      2.00000
      2       0.5503      2.00000
      3       0.7386      2.00000
      4       2.6741      2.00000
      5       6.6957      0.02568
      6       7.7558      0.00000
      7       8.1886      0.00000
      8       9.8362      0.00000
      9      10.2222      0.00000
     10      10.7875      0.00000
     11      11.0104      0.00000
     12      13.7138      0.00000

 k-point   533 :      -0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.7595      2.00000
      2       0.3849      2.00000
      3       1.3516      2.00000
      4       3.0669      2.00000
      5       6.2458      1.07865
      6       7.4630      0.00001
      7       8.9038      0.00000
      8       9.9125      0.00000
      9      10.4542      0.00000
     10      10.7961      0.00000
     11      11.2685      0.00000
     12      13.7186      0.00000

 k-point   534 :      -0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2153      2.00000
      2       0.0907      2.00000
      3       2.1931      2.00000
      4       3.7070      2.00000
      5       5.8654      1.96263
      6       7.1517      0.00027
      7       9.4037      0.00000
      8       9.8022      0.00000
      9      10.5718      0.00000
     10      11.2555      0.00000
     11      11.9573      0.00000
     12      12.9302      0.00000

 k-point   535 :      -0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.5813      2.00000
      2      -0.1803      2.00000
      3       3.1413      2.00000
      4       4.4841      2.00000
      5       5.5792      1.99783
      6       6.8923      0.00364
      7       9.0313      0.00000
      8      10.2014      0.00000
      9      10.7375      0.00000
     10      11.3859      0.00000
     11      12.1548      0.00000
     12      12.7005      0.00000

 k-point   536 :      -0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8472      2.00000
      2      -0.3883      2.00000
      3       4.1684      2.00000
      4       5.2697      1.99990
      5       5.4605      1.99934
      6       6.7148      0.02126
      7       8.7184      0.00000
      8       9.5649      0.00000
      9      10.0163      0.00000
     10      11.7657      0.00000
     11      12.1207      0.00000
     12      13.3005      0.00000

 k-point   537 :      -0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0097      2.00000
      2      -0.5183      2.00000
      3       5.1285      1.99998
      4       5.3780      1.99971
      5       6.1448      1.52533
      6       6.7047      0.02351
      7       8.4408      0.00000
      8       8.4606      0.00000
      9       9.1053      0.00000
     10      11.6207      0.00000
     11      12.8431      0.00000
     12      13.7638      0.00000

 k-point   538 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.9098      2.00000
      2      -0.4376      2.00000
      3       4.1846      2.00000
      4       5.4108      1.99960
      5       6.1390      1.54587
      6       7.2290      0.00013
      7       7.8139      0.00000
      8       8.9794      0.00000
      9       9.8521      0.00000
     10      11.7064      0.00000
     11      11.9966      0.00000
     12      13.2386      0.00000

 k-point   539 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8677      2.00000
      2      -0.4003      2.00000
      3       4.2779      2.00000
      4       5.3114      1.99985
      5       5.7018      1.99261
      6       6.8944      0.00356
      7       8.4345      0.00000
      8       9.3001      0.00000
      9       9.8986      0.00000
     10      10.7385      0.00000
     11      11.7374      0.00000
     12      12.7952      0.00000

 k-point   540 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7210      2.00000
      2      -0.2775      2.00000
      3       4.3571      2.00000
      4       4.5649      2.00000
      5       5.3033      1.99986
      6       6.3901      0.43314
      7       9.6209      0.00000
      8       9.7308      0.00000
      9       9.7910      0.00000
     10      10.4337      0.00000
     11      11.1492      0.00000
     12      12.8558      0.00000

 k-point   541 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4706      2.00000
      2      -0.0746      2.00000
      3       3.4279      2.00000
      4       4.4839      2.00000
      5       4.9499      2.00000
      6       6.3309      0.66657
      7       8.7626      0.00000
      8       9.9203      0.00000
      9      10.4154      0.00000
     10      10.9084      0.00000
     11      11.4392      0.00000
     12      13.4527      0.00000

 k-point   542 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.1194      2.00000
      2       0.1955      2.00000
      3       2.4750      2.00000
      4       3.8397      2.00000
      5       5.2384      1.99993
      6       6.5018      0.16586
      7       7.8989      0.00000
      8       9.7122      0.00000
      9      10.2792      0.00000
     10      11.4963      0.00000
     11      12.8671      0.00000
     12      14.2690      0.00000

 k-point   543 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.6759      2.00000
      2       0.4983      2.00000
      3       1.6192      2.00000
      4       3.1995      2.00000
      5       5.6775      1.99420
      6       6.7016      0.02424
      7       7.1646      0.00024
      8       9.2574      0.00000
      9      10.6276      0.00000
     10      11.8429      0.00000
     11      13.4748      0.00000
     12      14.4283      0.00000

 k-point   544 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.1854      2.00000
      2       0.7127      2.00000
      3       0.9462      2.00000
      4       2.7642      2.00000
      5       5.9834      1.88327
      6       6.6897      0.02725
      7       6.8718      0.00446
      8       9.0783      0.00000
      9      11.0642      0.00000
     10      12.0736      0.00000
     11      12.7493      0.00000
     12      14.8464      0.00000

 k-point   545 :      -0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.1036      2.00000
      2       0.7012      2.00000
      3       0.8791      2.00000
      4       2.7238      2.00000
      5       5.6454      1.99579
      6       6.7042      0.02362
      7       7.1975      0.00017
      8       9.2753      0.00000
      9      11.4732      0.00000
     10      12.1019      0.00000
     11      12.2918      0.00000
     12      14.6124      0.00000

 k-point   546 :      -0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.5794      2.00000
      2       0.5437      2.00000
      3       1.4641      2.00000
      4       3.1023      2.00000
      5       5.1925      1.99995
      6       6.4944      0.17753
      7       7.9335      0.00000
      8       9.7753      0.00000
      9      11.2743      0.00000
     10      12.1071      0.00000
     11      12.4559      0.00000
     12      14.5570      0.00000

 k-point   547 :      -0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.0385      2.00000
      2       0.2406      2.00000
      3       2.2976      2.00000
      4       3.7138      2.00000
      5       4.8157      2.00000
      6       6.2686      0.96435
      7       8.7977      0.00000
      8      10.4386      0.00000
      9      10.8439      0.00000
     10      11.8637      0.00000
     11      13.0745      0.00000
     12      13.1748      0.00000

 k-point   548 :      -0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4088      2.00000
      2      -0.0385      2.00000
      3       3.2357      2.00000
      4       4.3425      2.00000
      5       4.6157      2.00000
      6       6.1197      1.61005
      7       9.7486      0.00000
      8      10.3931      0.00000
      9      11.2180      0.00000
     10      11.3500      0.00000
     11      11.7316      0.00000
     12      13.5216      0.00000

 k-point   549 :      -0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.6795      2.00000
      2      -0.2530      2.00000
      3       4.1625      2.00000
      4       4.3877      2.00000
      5       5.1117      1.99998
      6       6.1935      1.32761
      7       9.9983      0.00000
      8      10.0696      0.00000
      9      10.7137      0.00000
     10      10.8110      0.00000
     11      12.0301      0.00000
     12      12.9887      0.00000

 k-point   550 :      -0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8469      2.00000
      2      -0.3879      2.00000
      3       4.1789      2.00000
      4       5.2677      1.99990
      5       5.4569      1.99936
      6       6.7063      0.02313
      7       8.7003      0.00000
      8       9.5673      0.00000
      9      10.0293      0.00000
     10      11.7648      0.00000
     11      12.1280      0.00000
     12      13.2997      0.00000

 k-point   551 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6484      2.00000
      2      -0.2329      2.00000
      3       3.1501      2.00000
      4       4.5214      2.00000
      5       6.3632      0.53122
      6       7.4642      0.00001
      7       8.0860      0.00000
      8       9.4748      0.00000
      9      10.7488      0.00000
     10      11.2788      0.00000
     11      12.1915      0.00000
     12      12.6815      0.00000

 k-point   552 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6115      2.00000
      2      -0.1973      2.00000
      3       3.2468      2.00000
      4       4.5538      2.00000
      5       5.8848      1.95481
      6       7.1044      0.00044
      7       8.6454      0.00000
      8       9.7155      0.00000
      9       9.9109      0.00000
     10      11.2024      0.00000
     11      11.4780      0.00000
     12      13.1998      0.00000

 k-point   553 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4701      2.00000
      2      -0.0739      2.00000
      3       3.4363      2.00000
      4       4.4844      2.00000
      5       4.9439      2.00000
      6       6.3250      0.69288
      7       8.7607      0.00000
      8       9.9013      0.00000
      9      10.4089      0.00000
     10      10.9126      0.00000
     11      11.4547      0.00000
     12      13.4627      0.00000

 k-point   554 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2252      2.00000
      2       0.1325      2.00000
      3       3.6244      2.00000
      4       3.7971      2.00000
      5       4.5405      2.00000
      6       5.7474      1.98837
      7       7.7980      0.00000
      8       9.7089      0.00000
      9      11.3201      0.00000
     10      11.4437      0.00000
     11      12.0849      0.00000
     12      13.9214      0.00000

 k-point   555 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.8794      2.00000
      2       0.4101      2.00000
      3       2.7608      2.00000
      4       3.8256      2.00000
      5       4.2933      2.00000
      6       5.6178      1.99680
      7       6.9259      0.00260
      8       9.0933      0.00000
      9      11.6954      0.00000
     10      12.5986      0.00000
     11      13.0992      0.00000
     12      14.7802      0.00000

 k-point   556 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.4406      2.00000
      2       0.7275      2.00000
      3       1.9064      2.00000
      4       3.3101      2.00000
      5       4.6491      2.00000
      6       5.6900      1.99343
      7       6.1833      1.37231
      8       8.6551      0.00000
      9      12.0582      0.00000
     10      13.1392      0.00000
     11      14.5801      0.00000
     12      14.9254      0.00000

 k-point   557 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.0509      2.00000
      2       0.9709      2.00000
      3       1.2200      2.00000
      4       2.8673      2.00000
      5       4.9604      2.00000
      6       5.6640      1.99493
      7       5.8388      1.97122
      8       8.4830      0.00000
      9      12.4884      0.00000
     10      13.4608      0.00000
     11      14.2049      0.00000
     12      15.9520      0.00000

 k-point   558 :      -0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.1725      2.00000
      2       0.9529      2.00000
      3       1.1242      2.00000
      4       2.8013      2.00000
      5       4.6395      2.00000
      6       5.6884      1.99353
      7       6.1707      1.42529
      8       8.6306      0.00000
      9      12.9068      0.00000
     10      13.5478      0.00000
     11      13.7246      0.00000
     12      15.7879      0.00000

 k-point   559 :      -0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.2969      2.00000
      2       0.7983      2.00000
      3       1.6750      2.00000
      4       3.1542      2.00000
      5       4.1916      2.00000
      6       5.5664      1.99809
      7       6.9054      0.00319
      8       9.0597      0.00000
      9      12.7546      0.00000
     10      13.5273      0.00000
     11      13.8238      0.00000
     12      15.0464      0.00000

 k-point   560 :      -0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.7589      2.00000
      2       0.4781      2.00000
      3       2.4958      2.00000
      4       3.6099      2.00000
      5       3.9053      2.00000
      6       5.4721      1.99925
      7       7.7723      0.00000
      8       9.6891      0.00000
      9      12.2954      0.00000
     10      13.1555      0.00000
     11      13.5245      0.00000
     12      14.3414      0.00000

 k-point   561 :      -0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.1333      2.00000
      2       0.1860      2.00000
      3       3.3235      2.00000
      4       3.5607      2.00000
      5       4.2651      2.00000
      6       5.5907      1.99756
      7       8.7323      0.00000
      8      10.4492      0.00000
      9      11.7784      0.00000
     10      11.9822      0.00000
     11      12.5147      0.00000
     12      14.1041      0.00000

 k-point   562 :      -0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4083      2.00000
      2      -0.0378      2.00000
      3       3.2441      2.00000
      4       4.3410      2.00000
      5       4.6113      2.00000
      6       6.1141      1.62741
      7       9.7466      0.00000
      8      10.3736      0.00000
      9      11.2083      0.00000
     10      11.3583      0.00000
     11      11.7461      0.00000
     12      13.5307      0.00000

 k-point   563 :      -0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.5805      2.00000
      2      -0.1793      2.00000
      3       3.1502      2.00000
      4       4.4896      2.00000
      5       5.5677      1.99806
      6       6.8829      0.00400
      7       9.0132      0.00000
      8      10.1910      0.00000
      9      10.7344      0.00000
     10      11.4082      0.00000
     11      12.1538      0.00000
     12      12.6926      0.00000

 k-point   564 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2863      2.00000
      2       0.0351      2.00000
      3       2.1950      2.00000
      4       3.7244      2.00000
      5       6.6810      0.02970
      6       7.7854      0.00000
      7       8.4506      0.00000
      8       9.7131      0.00000
      9       9.9067      0.00000
     10      11.3656      0.00000
     11      11.8567      0.00000
     12      12.8270      0.00000

 k-point   565 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2544      2.00000
      2       0.0704      2.00000
      3       2.2893      2.00000
      4       3.7726      2.00000
      5       6.2505      1.05485
      6       7.4002      0.00002
      7       8.9101      0.00000
      8       8.9449      0.00000
      9       9.9831      0.00000
     10      10.9512      0.00000
     11      12.7844      0.00000
     12      12.9711      0.00000

 k-point   566 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1182      2.00000
      2       0.1971      2.00000
      3       2.4818      2.00000
      4       3.8432      2.00000
      5       5.2295      1.99993
      6       6.4951      0.17642
      7       7.8953      0.00000
      8       9.7063      0.00000
      9      10.2607      0.00000
     10      11.4855      0.00000
     11      12.8918      0.00000
     12      14.2589      0.00000

 k-point   567 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.8787      2.00000
      2       0.4111      2.00000
      3       2.7670      2.00000
      4       3.8255      2.00000
      5       4.2886      2.00000
      6       5.6139      1.99692
      7       6.9242      0.00265
      8       9.0914      0.00000
      9      11.6738      0.00000
     10      12.5945      0.00000
     11      13.1173      0.00000
     12      14.7944      0.00000

 k-point   568 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.5384      2.00000
      2       0.7019      2.00000
      3       3.0570      2.00000
      4       3.2089      2.00000
      5       3.9613      2.00000
      6       4.9751      1.99999
      7       6.0438      1.79639
      8       8.5247      0.00000
      9      13.1649      0.00000
     10      13.2421      0.00000
     11      13.8773      0.00000
     12      15.3166      0.00000

 k-point   569 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.1044      2.00000
      2       1.0425      2.00000
      3       2.2828      2.00000
      4       3.3513      2.00000
      5       3.7745      2.00000
      6       4.7705      2.00000
      7       5.2912      1.99988
      8       8.1249      0.00000
      9      13.5841      0.00000
     10      14.4551      0.00000
     11      14.8794      0.00000
     12      16.2800      0.00000

 k-point   570 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.3876      2.00000
      2       1.3273      2.00000
      3       1.5876      2.00000
      4       2.9876      2.00000
      5       4.0151      2.00000
      6       4.7211      2.00000
      7       4.8876      2.00000
      8       7.9583      0.00000
      9      14.0024      0.00000
     10      14.9071      0.00000
     11      15.6942      0.00000
     12      16.2289      0.00000

 k-point   571 :      -0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.5472      2.00000
      2       1.3012      2.00000
      3       1.4712      2.00000
      4       2.8827      2.00000
      5       3.7262      2.00000
      6       4.7535      2.00000
      7       5.2162      1.99994
      8       8.0635      0.00000
      9      14.4126      0.00000
     10      15.0382      0.00000
     11      15.2021      0.00000
     12      16.5153      0.00000

 k-point   572 :      -0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.0843      2.00000
      2       1.1410      2.00000
      3       1.9758      2.00000
      4       3.0906      2.00000
      5       3.3825      2.00000
      6       4.7587      2.00000
      7       5.9441      1.91970
      8       8.4237      0.00000
      9      14.2916      0.00000
     10      14.9320      0.00000
     11      15.2137      0.00000
     12      15.4639      0.00000

 k-point   573 :      -0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.3803      2.00000
      2       0.7910      2.00000
      3       2.6758      2.00000
      4       2.9367      2.00000
      5       3.6247      2.00000
      6       4.9355      2.00000
      7       6.8096      0.00829
      8       8.9846      0.00000
      9      13.6960      0.00000
     10      14.0189      0.00000
     11      14.3854      0.00000
     12      15.2630      0.00000

 k-point   574 :      -0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.7582      2.00000
      2       0.4791      2.00000
      3       2.5021      2.00000
      4       3.6083      2.00000
      5       3.9017      2.00000
      6       5.4685      1.99928
      7       7.7706      0.00000
      8       9.6874      0.00000
      9      12.2742      0.00000
     10      13.1465      0.00000
     11      13.5453      0.00000
     12      14.3285      0.00000

 k-point   575 :      -0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0372      2.00000
      2       0.2423      2.00000
      3       2.3045      2.00000
      4       3.7172      2.00000
      5       4.8066      2.00000
      6       6.2620      0.99772
      7       8.7942      0.00000
      8      10.4329      0.00000
      9      10.8261      0.00000
     10      11.8505      0.00000
     11      13.0626      0.00000
     12      13.1987      0.00000

 k-point   576 :      -0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2138      2.00000
      2       0.0928      2.00000
      3       2.2003      2.00000
      4       3.7111      2.00000
      5       5.8544      1.96645
      6       7.1425      0.00030
      7       9.3873      0.00000
      8       9.7961      0.00000
      9      10.5581      0.00000
     10      11.2511      0.00000
     11      11.9456      0.00000
     12      12.9555      0.00000

 k-point   577 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8333      2.00000
      2       0.3279      2.00000
      3       1.3456      2.00000
      4       3.0712      2.00000
      5       7.0809      0.00055
      6       8.1704      0.00000
      7       8.8297      0.00000
      8       9.1575      0.00000
      9       9.8560      0.00000
     10      10.6823      0.00000
     11      11.0707      0.00000
     12      13.5040      0.00000

 k-point   578 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8055      2.00000
      2       0.3660      2.00000
      3       1.4350      2.00000
      4       3.1164      2.00000
      5       6.6924      0.02654
      6       7.7108      0.00000
      7       8.1832      0.00000
      8       9.2994      0.00000
      9       9.7823      0.00000
     10      10.8380      0.00000
     11      12.1174      0.00000
     12      14.1092      0.00000

 k-point   579 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.6737      2.00000
      2       0.5011      2.00000
      3       1.6245      2.00000
      4       3.2016      2.00000
      5       5.6695      1.99465
      6       6.6952      0.02582
      7       7.1593      0.00025
      8       9.2515      0.00000
      9      10.6089      0.00000
     10      11.8284      0.00000
     11      13.4599      0.00000
     12      14.4553      0.00000

 k-point   580 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.4390      2.00000
      2       0.7298      2.00000
      3       1.9112      2.00000
      4       3.3116      2.00000
      5       4.6429      2.00000
      6       5.6856      1.99371
      7       6.1798      1.38707
      8       8.6517      0.00000
      9      12.0371      0.00000
     10      13.1234      0.00000
     11      14.6047      0.00000
     12      14.9109      0.00000

 k-point   581 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.1035      2.00000
      2       1.0438      2.00000
      3       2.2867      2.00000
      4       3.3507      2.00000
      5       3.7715      2.00000
      6       4.7680      2.00000
      7       5.2896      1.99988
      8       8.1235      0.00000
      9      13.5608      0.00000
     10      14.4462      0.00000
     11      14.8998      0.00000
     12      16.2690      0.00000

 k-point   582 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.3261      2.00000
      2       1.4218      2.00000
      3       2.6507      2.00000
      4       2.8124      2.00000
      5       3.5730      2.00000
      6       4.0408      2.00000
      7       4.5226      2.00000
      8       7.7475      0.00000
      9      15.1145      0.00000
     10      15.1385      0.00000
     11      15.7313      0.00000
     12      16.8870      0.00000

 k-point   583 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.8189      2.00000
      2       1.7725      2.00000
      3       2.0251      2.00000
      4       3.0638      2.00000
      5       3.2153      2.00000
      6       3.8882      2.00000
      7       4.0389      2.00000
      8       7.5759      0.00000
      9      15.5433      0.00000
     10      16.3053      0.00000
     11      16.5729      0.00000
     12      17.1028      0.00000

 k-point   584 :      -0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       1.0121      2.00000
      2       1.7287      2.00000
      3       1.9099      2.00000
      4       2.8123      2.00000
      5       3.0581      2.00000
      6       3.9234      2.00000
      7       4.3683      2.00000
      8       7.6396      0.00000
      9      15.8978      0.00000
     10      16.4715      0.00000
     11      16.6071      0.00000
     12      16.9478      0.00000

 k-point   585 :      -0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.5522      2.00000
      2       1.5443      2.00000
      3       2.2377      2.00000
      4       2.5326      2.00000
      5       3.1961      2.00000
      6       4.1771      2.00000
      7       5.0823      1.99998
      8       7.9337      0.00000
      9      15.6221      0.00000
     10      16.0128      0.00000
     11      16.0907      0.00000
     12      16.3089      0.00000

 k-point   586 :      -0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.0852      2.00000
      2       1.1424      2.00000
      3       1.9797      2.00000
      4       3.0889      2.00000
      5       3.3800      2.00000
      6       4.7566      2.00000
      7       5.9425      1.92090
      8       8.4223      0.00000
      9      14.2703      0.00000
     10      14.9160      0.00000
     11      15.1979      0.00000
     12      15.4873      0.00000

 k-point   587 :      -0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.2953      2.00000
      2       0.8007      2.00000
      3       1.6798      2.00000
      4       3.1554      2.00000
      5       4.1851      2.00000
      6       5.5621      1.99817
      7       6.9022      0.00330
      8       9.0566      0.00000
      9      12.7341      0.00000
     10      13.5100      0.00000
     11      13.8069      0.00000
     12      15.0723      0.00000

 k-point   588 :      -0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.5772      2.00000
      2       0.5467      2.00000
      3       1.4694      2.00000
      4       3.1043      2.00000
      5       5.1841      1.99996
      6       6.4879      0.18831
      7       7.9284      0.00000
      8       9.7702      0.00000
      9      11.2560      0.00000
     10      12.0912      0.00000
     11      12.4406      0.00000
     12      14.5494      0.00000

 k-point   589 :      -0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7570      2.00000
      2       0.3882      2.00000
      3       1.3572      2.00000
      4       3.0692      2.00000
      5       6.2356      1.12863
      6       7.4545      0.00001
      7       8.8971      0.00000
      8       9.8962      0.00000
      9      10.4475      0.00000
     10      10.7816      0.00000
     11      11.2550      0.00000
     12      13.7094      0.00000

 k-point   590 :      -0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4996      2.00000
      2       2.0170      2.00000
      3       2.3764      2.00000
      4       2.4401      2.00000
      5       2.9814      2.00000
      6       3.2763      2.00000
      7       3.6893      2.00000
      8       7.4031      0.00002
      9      16.9915      0.00000
     10      17.3962      0.00000
     11      17.4520      0.00000
     12      17.6668      0.00000

 k-point   591 :      -0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.0136      2.00000
      2       1.7301      2.00000
      3       1.9118      2.00000
      4       2.8107      2.00000
      5       3.0565      2.00000
      6       3.9224      2.00000
      7       4.3671      2.00000
      8       7.6388      0.00000
      9      15.8783      0.00000
     10      16.4537      0.00000
     11      16.5898      0.00000
     12      16.9594      0.00000

 k-point   592 :      -0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.5496      2.00000
      2       1.3036      2.00000
      3       1.4741      2.00000
      4       2.8819      2.00000
      5       3.7225      2.00000
      6       4.7510      2.00000
      7       5.2133      1.99994
      8       8.0613      0.00000
      9      14.3920      0.00000
     10      15.0179      0.00000
     11      15.1826      0.00000
     12      16.5296      0.00000

 k-point   593 :      -0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1756      2.00000
      2       0.9562      2.00000
      3       1.1278      2.00000
      4       2.8011      2.00000
      5       4.6341      2.00000
      6       5.6841      1.99380
      7       6.1661      1.44401
      8       8.6266      0.00000
      9      12.8879      0.00000
     10      13.5285      0.00000
     11      13.7064      0.00000
     12      15.7693      0.00000

 k-point   594 :      -0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1001      2.00000
      2       0.7050      2.00000
      3       0.8832      2.00000
      4       2.7242      2.00000
      5       5.6381      1.99608
      6       6.6981      0.02508
      7       7.1910      0.00018
      8       9.2691      0.00000
      9      11.4564      0.00000
     10      12.0846      0.00000
     11      12.2756      0.00000
     12      14.5976      0.00000

 k-point   595 :      -0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2745      2.00000
      2       0.5545      2.00000
      3       0.7430      2.00000
      4       2.6748      2.00000
      5       6.6868      0.02806
      6       7.7480      0.00000
      7       8.1805      0.00000
      8       9.8279      0.00000
      9      10.2073      0.00000
     10      10.7722      0.00000
     11      10.9961      0.00000
     12      13.7017      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000   0.000
  5.264  22.371  -0.000  -0.000   0.000
 -0.000  -0.000  -0.285   0.000   0.000
 -0.000  -0.000   0.000  -0.285  -0.000
  0.000   0.000   0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.081  -0.022   0.000   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.094   0.000  -0.006
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000  -0.006   0.000   0.094


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.2843: real time    0.2843
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.5881: real time    0.5881
    STRESS:  cpu time    7.1494: real time    7.1558
    FORCOR:  cpu time    0.0528: real time    0.0528
    FORHAR:  cpu time    0.0129: real time    0.0129
    MIXING:  cpu time    0.0050: real time    0.0050
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.18437   -72.35001   -72.47739    -1.92034     0.00000    -0.00000
  Hartree     1.12748     1.14444     1.12976     0.06841    -0.00000    -0.00000
  E(xc)     -27.43422   -27.42800   -27.42453     0.06614    -0.00000     0.00000
  Local      -4.15903    -4.01273    -3.91557     1.74769    -0.00000     0.00000
  n-local    59.03174    58.96401    58.92581    -0.70845     0.24192     0.05163
  augment    -3.03964    -3.03672    -3.03594     0.03420     0.00000     0.00000
  Kinetic    46.89380    46.90527    46.91965    -0.13061    -3.56811    -0.07694
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.12252     0.07303     0.00856    -0.84296     0.00000     0.00000
  in kB       3.00718     1.79257     0.21002   -20.69065     0.00000     0.00000
  external pressure =        1.67 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.201274410  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000    -0.012416708  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.030516920  4.026832140  4.026832140     0.248417074  0.248644390  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.176E-15 -.362E-16 -.148E-15   -.125E-15 -.313E-15 -.986E-16   -.814E-26 -.406E-25 -.131E-25   -.637E-17 0.506E-19 -.521E-17
   -.200E-14 -.292E-13 0.217E-13   0.375E-15 0.355E-15 -.348E-15   0.717E-25 -.179E-25 0.211E-26   0.602E-16 0.332E-16 -.624E-17
   -.121E-14 -.406E-15 -.920E-13   -.235E-15 -.257E-15 0.403E-15   0.741E-25 0.136E-25 0.763E-25   0.538E-16 0.683E-17 0.390E-16
   0.113E-14 -.338E-14 -.392E-14   0.132E-15 0.360E-15 -.131E-15   -.108E-23 0.112E-23 -.409E-24   -.210E-16 0.112E-17 0.501E-16
 -----------------------------------------------------------------------------------------------
   -.190E-14 -.330E-13 -.744E-13   0.146E-15 0.145E-15 -.174E-15   -.940E-24 0.107E-23 -.344E-24   0.866E-16 0.412E-16 0.776E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000     -0.000000
      2.01274      2.11405      0.00000         0.000000     -0.000000     -0.000000
      2.01274      0.10064      2.01342        -0.000000      0.000000      0.000000
      0.00000      2.01342      2.01342        -0.000000      0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.53195321 eV

  energy  without entropy=      -13.48944830  energy(sigma->0) =      -13.51070075
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.4863820E-01-0.486E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.3767174E+01 0.377E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0597: real time    0.0597


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   4/ 13
  Displacement:        1/  2
  Total:               7/ 26
  Warning from LATTYP: Monoclinic adjustment (A1->A3, A2->A1, A3->A2)!
  Warning from LATTYP: Got some problem with cell dimensions!
  Tried to take original basis but could not verify dimensions!
  LATTYP: Found a simple monoclinic cell.
 ALAT       =     5.5533275789
 B/A-ratio  =     0.7251205846
 C/A-ratio  =     1.5898821621
 COS(beta)  =    -0.9437689110
  
  Lattice vectors:
  
 A1 = (  -4.0254882003,  -3.8255577303,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (   8.0509764006,   3.6242833202,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    595 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
 -0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      2.000000
  0.153846  0.076923  0.000000      2.000000
  0.230769  0.076923  0.000000      2.000000
  0.307692  0.076923  0.000000      2.000000
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  0.059237  0.038205  0.095513      4.000000
  0.078346  0.038205  0.095513      4.000000
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 -0.074526  0.038205  0.095513      4.000000
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  0.002865  0.057308  0.095513      4.000000
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  0.098410  0.057308  0.095513      4.000000
  0.117519  0.057308  0.095513      4.000000
 -0.111789  0.057308  0.095513      4.000000
 -0.092680  0.057308  0.095513      4.000000
 -0.073571  0.057308  0.095513      4.000000
 -0.054462  0.057308  0.095513      4.000000
 -0.035353  0.057308  0.095513      4.000000
 -0.016244  0.057308  0.095513      4.000000
  0.003821  0.076411  0.095513      4.000000
  0.022930  0.076411  0.095513      4.000000
  0.042039  0.076411  0.095513      4.000000
  0.061148  0.076411  0.095513      4.000000
  0.080257  0.076411  0.095513      4.000000
  0.099366  0.076411  0.095513      4.000000
  0.118475  0.076411  0.095513      4.000000
 -0.110834  0.076411  0.095513      4.000000
 -0.091725  0.076411  0.095513      4.000000
 -0.072615  0.076411  0.095513      4.000000
 -0.053506  0.076411  0.095513      4.000000
 -0.034397  0.076411  0.095513      4.000000
 -0.015288  0.076411  0.095513      4.000000
  0.004776  0.095513  0.095513      4.000000
  0.023885  0.095513  0.095513      4.000000
  0.042994  0.095513  0.095513      4.000000
  0.062103  0.095513  0.095513      4.000000
  0.081212  0.095513  0.095513      4.000000
  0.100321  0.095513  0.095513      4.000000
  0.119430  0.095513  0.095513      4.000000
 -0.109878  0.095513  0.095513      4.000000
 -0.090769  0.095513  0.095513      4.000000
 -0.071660  0.095513  0.095513      4.000000
 -0.052551  0.095513  0.095513      4.000000
 -0.033442  0.095513  0.095513      4.000000
 -0.014333  0.095513  0.095513      4.000000
  0.005731  0.114616  0.095513      4.000000
  0.024840  0.114616  0.095513      4.000000
  0.043949  0.114616  0.095513      4.000000
  0.063058  0.114616  0.095513      4.000000
  0.082167  0.114616  0.095513      4.000000
  0.101276  0.114616  0.095513      4.000000
  0.120385  0.114616  0.095513      4.000000
 -0.108923  0.114616  0.095513      4.000000
 -0.089814  0.114616  0.095513      4.000000
 -0.070705  0.114616  0.095513      4.000000
 -0.051596  0.114616  0.095513      4.000000
 -0.032487  0.114616  0.095513      4.000000
 -0.013378  0.114616  0.095513      4.000000
  0.000000  0.000000  0.114616      2.000000
  0.019109  0.000000  0.114616      4.000000
  0.038218  0.000000  0.114616      4.000000
  0.057327  0.000000  0.114616      4.000000
  0.076436  0.000000  0.114616      4.000000
  0.095545  0.000000  0.114616      4.000000
  0.114654  0.000000  0.114616      4.000000
  0.000955  0.019103  0.114616      4.000000
  0.020064  0.019103  0.114616      4.000000
  0.039173  0.019103  0.114616      4.000000
  0.058282  0.019103  0.114616      4.000000
  0.077391  0.019103  0.114616      4.000000
  0.096500  0.019103  0.114616      4.000000
  0.115609  0.019103  0.114616      4.000000
 -0.113699  0.019103  0.114616      4.000000
 -0.094590  0.019103  0.114616      4.000000
 -0.075481  0.019103  0.114616      4.000000
 -0.056372  0.019103  0.114616      4.000000
 -0.037263  0.019103  0.114616      4.000000
 -0.018154  0.019103  0.114616      4.000000
  0.001910  0.038205  0.114616      4.000000
  0.021019  0.038205  0.114616      4.000000
  0.040128  0.038205  0.114616      4.000000
  0.059237  0.038205  0.114616      4.000000
  0.078346  0.038205  0.114616      4.000000
  0.097455  0.038205  0.114616      4.000000
  0.116564  0.038205  0.114616      4.000000
 -0.112744  0.038205  0.114616      4.000000
 -0.093635  0.038205  0.114616      4.000000
 -0.074526  0.038205  0.114616      4.000000
 -0.055417  0.038205  0.114616      4.000000
 -0.036308  0.038205  0.114616      4.000000
 -0.017199  0.038205  0.114616      4.000000
  0.002865  0.057308  0.114616      4.000000
  0.021974  0.057308  0.114616      4.000000
  0.041083  0.057308  0.114616      4.000000
  0.060192  0.057308  0.114616      4.000000
  0.079301  0.057308  0.114616      4.000000
  0.098410  0.057308  0.114616      4.000000
  0.117519  0.057308  0.114616      4.000000
 -0.111789  0.057308  0.114616      4.000000
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 -0.073571  0.057308  0.114616      4.000000
 -0.054462  0.057308  0.114616      4.000000
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 -0.016244  0.057308  0.114616      4.000000
  0.003821  0.076411  0.114616      4.000000
  0.022930  0.076411  0.114616      4.000000
  0.042039  0.076411  0.114616      4.000000
  0.061148  0.076411  0.114616      4.000000
  0.080257  0.076411  0.114616      4.000000
  0.099366  0.076411  0.114616      4.000000
  0.118475  0.076411  0.114616      4.000000
 -0.110834  0.076411  0.114616      4.000000
 -0.091725  0.076411  0.114616      4.000000
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 -0.053506  0.076411  0.114616      4.000000
 -0.034397  0.076411  0.114616      4.000000
 -0.015288  0.076411  0.114616      4.000000
  0.004776  0.095513  0.114616      4.000000
  0.023885  0.095513  0.114616      4.000000
  0.042994  0.095513  0.114616      4.000000
  0.062103  0.095513  0.114616      4.000000
  0.081212  0.095513  0.114616      4.000000
  0.100321  0.095513  0.114616      4.000000
  0.119430  0.095513  0.114616      4.000000
 -0.109878  0.095513  0.114616      4.000000
 -0.090769  0.095513  0.114616      4.000000
 -0.071660  0.095513  0.114616      4.000000
 -0.052551  0.095513  0.114616      4.000000
 -0.033442  0.095513  0.114616      4.000000
 -0.014333  0.095513  0.114616      4.000000
  0.005731  0.114616  0.114616      4.000000
  0.024840  0.114616  0.114616      4.000000
  0.043949  0.114616  0.114616      4.000000
  0.063058  0.114616  0.114616      4.000000
  0.082167  0.114616  0.114616      4.000000
  0.101276  0.114616  0.114616      4.000000
  0.120385  0.114616  0.114616      4.000000
 -0.108923  0.114616  0.114616      4.000000
 -0.089814  0.114616  0.114616      4.000000
 -0.070705  0.114616  0.114616      4.000000
 -0.051596  0.114616  0.114616      4.000000
 -0.032487  0.114616  0.114616      4.000000
 -0.013378  0.114616  0.114616      4.000000
 
    WAVPRE:  cpu time    0.6813: real time    0.7496
    FEWALD:  cpu time    0.0034: real time    0.0034
    GENKIN:  cpu time    0.1470: real time    0.1471
    ORTHCH:  cpu time    3.7395: real time    3.7401
     LOOP+:  cpu time  273.0260: real time  273.2280


--------------------------------------- Iteration      9(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0473: real time    0.0481
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   42.4624: real time   42.4844
       DOS:  cpu time    0.0188: real time    0.0188
    CHARGE:  cpu time    0.2850: real time    0.2850
    MIXING:  cpu time    0.0032: real time    0.0032
    --------------------------------------------
      LOOP:  cpu time   42.8200: real time   42.8428

 eigenvalue-minimisations  : 17884
 total energy-change (2. order) :-0.2032006E-01  (-0.1656579E+00)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1065717 magnetization 

 Broyden mixing:
  rms(total) = 0.80061E-01    rms(broyden)= 0.80061E-01
  rms(prec ) = 0.22110E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.39836407
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80311839
  PAW double counting   =       429.39681625     -328.05088749
  entropy T*S    EENTRO =        -0.04289889
  eigenvalues    EBANDS =        22.55558820
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55227678 eV

  energy without entropy =      -13.50937789  energy(sigma->0) =      -13.53082733


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0469: real time    0.0472
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   41.3707: real time   41.3925
       DOS:  cpu time    0.0203: real time    0.0203
    CHARGE:  cpu time    0.2873: real time    0.2873
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time   41.7326: real time   41.7548

 eigenvalue-minimisations  : 16184
 total energy-change (2. order) : 0.1254864E-01  (-0.4281853E-02)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1061966 magnetization 

 Broyden mixing:
  rms(total) = 0.48281E-01    rms(broyden)= 0.48281E-01
  rms(prec ) = 0.13223E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4478
  2.4478

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.38914021
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80458382
  PAW double counting   =       427.80554096     -326.46020992
  entropy T*S    EENTRO =        -0.04271333
  eigenvalues    EBANDS =        22.56079057
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53972813 eV

  energy without entropy =      -13.49701481  energy(sigma->0) =      -13.51837147


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0523: real time    0.0526
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   42.8719: real time   42.8911
       DOS:  cpu time    0.0181: real time    0.0181
    CHARGE:  cpu time    0.2853: real time    0.2853
    MIXING:  cpu time    0.0050: real time    0.0050
    --------------------------------------------
      LOOP:  cpu time   43.2365: real time   43.2561

 eigenvalue-minimisations  : 17336
 total energy-change (2. order) : 0.7751755E-02  (-0.1665307E-02)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060541 magnetization 

 Broyden mixing:
  rms(total) = 0.44986E-02    rms(broyden)= 0.44986E-02
  rms(prec ) = 0.13103E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7948
  1.2641  2.3256

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.40316978
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80096872
  PAW double counting   =       428.17175052     -326.82649187
  entropy T*S    EENTRO =        -0.04247879
  eigenvalues    EBANDS =        22.57879464
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53197638 eV

  energy without entropy =      -13.48949759  energy(sigma->0) =      -13.51073698


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0541: real time    0.0545
    SETDIJ:  cpu time    0.0052: real time    0.0052
     EDDAV:  cpu time   42.1799: real time   42.1983
       DOS:  cpu time    0.0200: real time    0.0200
    CHARGE:  cpu time    0.2842: real time    0.2842
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time   42.5472: real time   42.5660

 eigenvalue-minimisations  : 16748
 total energy-change (2. order) : 0.2329800E-04  (-0.8311479E-04)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060596 magnetization 

 Broyden mixing:
  rms(total) = 0.25233E-02    rms(broyden)= 0.25233E-02
  rms(prec ) = 0.59091E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8029
  0.9920  2.4248  1.9919

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.40040395
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80139584
  PAW double counting   =       428.78021151     -327.43455613
  entropy T*S    EENTRO =        -0.04250350
  eigenvalues    EBANDS =        22.57610720
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53195308 eV

  energy without entropy =      -13.48944958  energy(sigma->0) =      -13.51070133


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0519: real time    0.0522
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   43.2292: real time   43.2506
       DOS:  cpu time    0.0166: real time    0.0166
    --------------------------------------------
      LOOP:  cpu time   43.3013: real time   43.3230

 eigenvalue-minimisations  : 17868
 total energy-change (2. order) : 0.5367101E-06  (-0.2234235E-05)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060596 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01164980
  -Hartree energ DENC   =        -3.40108352
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80117102
  PAW double counting   =       429.30962685     -327.96374354
  entropy T*S    EENTRO =        -0.04250496
  eigenvalues    EBANDS =        22.57633603
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53195254 eV

  energy without entropy =      -13.48944758  energy(sigma->0) =      -13.51070006


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2434       2 -74.2414       3 -74.2384       4 -74.2394
 
 
 
 E-fermi :   6.2616     XC(G=0):  -9.5660     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6253      2.00000
      2       4.2588      2.00000
      3       4.3281      2.00000
      4       4.4092      2.00000
      5       5.5475      1.99842
      6       5.5667      1.99808
      7       7.6089      0.00000
      8      11.8886      0.00000
      9      12.5247      0.00000
     10      12.6940      0.00000
     11      12.7405      0.00000
     12      12.8179      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6342      2.00000
      3       4.3772      2.00000
      4       4.3944      2.00000
      5       5.6129      1.99696
      6       6.1605      1.46628
      7       7.8066      0.00000
      8      11.2022      0.00000
      9      11.5744      0.00000
     10      12.3816      0.00000
     11      12.8639      0.00000
     12      12.9815      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4289      2.00000
      2       2.6100      2.00000
      3       4.5240      2.00000
      4       4.5309      2.00000
      5       5.7756      1.98461
      6       6.7683      0.01252
      7       8.5700      0.00000
      8      10.1931      0.00000
      9      10.4572      0.00000
     10      11.6020      0.00000
     11      12.8804      0.00000
     12      12.9611      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1872      2.00000
      2       1.6177      2.00000
      3       4.7629      2.00000
      4       4.7673      2.00000
      5       6.0447      1.79479
      6       7.0543      0.00072
      7       9.2069      0.00000
      8       9.4208      0.00000
      9       9.8498      0.00000
     10      10.7006      0.00000
     11      12.3898      0.00000
     12      13.1354      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8591      2.00000
      2       0.7141      2.00000
      3       5.0852      1.99998
      4       5.1035      1.99998
      5       6.4156      0.35286
      6       7.2252      0.00013
      7       8.3345      0.00000
      8       8.4858      0.00000
      9       9.8047      0.00000
     10      11.2441      0.00000
     11      12.0433      0.00000
     12      13.3971      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4695      2.00000
      2      -0.0631      2.00000
      3       5.4876      1.99913
      4       5.5202      1.99879
      5       6.8680      0.00464
      6       7.3035      0.00006
      7       7.6208      0.00000
      8       7.6689      0.00000
      9       8.9734      0.00000
     10      11.4692      0.00000
     11      13.0981      0.00000
     12      13.7196      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1183      2.00000
      2      -0.6090      2.00000
      3       5.9094      1.94257
      4       5.9459      1.91832
      5       6.8413      0.00605
      6       7.0427      0.00081
      7       7.4196      0.00002
      8       7.5322      0.00001
      9       8.2483      0.00000
     10      11.3112      0.00000
     11      14.0327      0.00000
     12      14.4286      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5758      2.00000
      2       3.6458      2.00000
      3       4.3773      2.00000
      4       4.3815      2.00000
      5       5.6027      1.99725
      6       6.1681      1.43610
      7       7.8108      0.00000
      8      11.2016      0.00000
      9      11.5855      0.00000
     10      12.3861      0.00000
     11      12.8533      0.00000
     12      12.9707      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2       3.4639      2.00000
      3       3.8645      2.00000
      4       4.4311      2.00000
      5       5.9638      1.90307
      6       6.5540      0.10192
      7       7.9948      0.00000
      8      11.3522      0.00000
      9      11.3920      0.00000
     10      11.8547      0.00000
     11      11.8974      0.00000
     12      12.7773      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3702      2.00000
      2       2.5795      2.00000
      3       3.8277      2.00000
      4       4.5827      2.00000
      5       6.1920      1.33441
      6       7.2078      0.00016
      7       8.6872      0.00000
      8      10.2964      0.00000
      9      10.4378      0.00000
     10      11.4601      0.00000
     11      11.7577      0.00000
     12      12.6537      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1239      2.00000
      2       1.6074      2.00000
      3       4.0084      2.00000
      4       4.8306      2.00000
      5       6.4459      0.27335
      6       7.5544      0.00000
      7       9.2603      0.00000
      8       9.4173      0.00000
      9       9.9418      0.00000
     10      10.6569      0.00000
     11      11.9198      0.00000
     12      12.2689      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.7916      2.00000
      2       0.7141      2.00000
      3       4.2921      2.00000
      4       5.1712      1.99996
      5       6.7307      0.01818
      6       7.8002      0.00000
      7       8.3647      0.00000
      8       8.4902      0.00000
      9       9.8286      0.00000
     10      11.3463      0.00000
     11      11.9628      0.00000
     12      12.1848      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.3995      2.00000
      2      -0.0538      2.00000
      3       4.6624      2.00000
      4       5.5909      1.99756
      5       6.8651      0.00477
      6       7.6809      0.00000
      7       7.7427      0.00000
      8       8.0503      0.00000
      9       9.0632      0.00000
     10      11.5455      0.00000
     11      12.5311      0.00000
     12      12.9973      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0545      2.00000
      2      -0.5827      2.00000
      3       5.0823      1.99998
      4       6.0106      1.84963
      5       6.4991      0.17013
      6       7.0709      0.00061
      7       7.6631      0.00000
      8       8.2777      0.00000
      9       8.5188      0.00000
     10      11.4520      0.00000
     11      12.9162      0.00000
     12      13.9725      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6201      2.00000
      3       4.5181      2.00000
      4       4.5243      2.00000
      5       5.7657      1.98605
      6       6.7679      0.01257
      7       8.5847      0.00000
      8      10.1909      0.00000
      9      10.4673      0.00000
     10      11.6043      0.00000
     11      12.8804      0.00000
     12      12.9497      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3698      2.00000
      2       2.5888      2.00000
      3       3.8168      2.00000
      4       4.5830      2.00000
      5       6.1883      1.35062
      6       7.2015      0.00017
      7       8.7001      0.00000
      8      10.2951      0.00000
      9      10.4474      0.00000
     10      11.4605      0.00000
     11      11.7464      0.00000
     12      12.6505      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2132      2.00000
      2       2.4351      2.00000
      3       3.0480      2.00000
      4       4.7392      2.00000
      5       6.4415      0.28392
      6       8.1523      0.00000
      7       8.9975      0.00000
      8       9.4495      0.00000
      9      10.3622      0.00000
     10      10.7875      0.00000
     11      11.6573      0.00000
     12      12.5545      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9619      2.00000
      2       1.6573      2.00000
      3       3.0335      2.00000
      4       4.9917      1.99999
      5       6.6126      0.05802
      6       8.4271      0.00000
      7       8.7290      0.00000
      8       9.5013      0.00000
      9      10.1121      0.00000
     10      10.8004      0.00000
     11      11.1512      0.00000
     12      12.4301      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6246      2.00000
      2       0.7948      2.00000
      3       3.2834      2.00000
      4       5.3364      1.99981
      5       6.6132      0.05767
      6       7.8172      0.00000
      7       8.5900      0.00000
      8       8.9633      0.00000
      9      10.4857      0.00000
     10      11.0621      0.00000
     11      11.5083      0.00000
     12      12.1846      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2281      2.00000
      2       0.0403      2.00000
      3       3.6338      2.00000
      4       5.7587      1.98699
      5       6.1784      1.39335
      6       7.7368      0.00000
      7       7.7902      0.00000
      8       9.0636      0.00000
      9       9.9769      0.00000
     10      11.4144      0.00000
     11      11.9786      0.00000
     12      12.7056      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.8864      2.00000
      2      -0.4724      2.00000
      3       4.0288      2.00000
      4       5.6001      1.99732
      5       6.1708      1.42493
      6       7.1983      0.00017
      7       7.8455      0.00000
      8       8.9646      0.00000
      9       9.7856      0.00000
     10      11.8070      0.00000
     11      11.9682      0.00000
     12      13.2755      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1862      2.00000
      2       1.6261      2.00000
      3       4.7506      2.00000
      4       4.7682      2.00000
      5       6.0354      1.81138
      6       7.0505      0.00075
      7       9.2031      0.00000
      8       9.4292      0.00000
      9       9.8706      0.00000
     10      10.7003      0.00000
     11      12.3881      0.00000
     12      13.1234      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1230      2.00000
      2       1.6155      2.00000
      3       3.9973      2.00000
      4       4.8314      2.00000
      5       6.4428      0.28067
      6       7.5434      0.00001
      7       9.2577      0.00000
      8       9.4256      0.00000
      9       9.9620      0.00000
     10      10.6554      0.00000
     11      11.9085      0.00000
     12      12.2656      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9614      2.00000
      2       1.6642      2.00000
      3       3.0252      2.00000
      4       4.9922      1.99999
      5       6.6124      0.05817
      6       8.4230      0.00000
      7       8.7180      0.00000
      8       9.5090      0.00000
      9      10.1297      0.00000
     10      10.7914      0.00000
     11      11.1515      0.00000
     12      12.4207      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7045      2.00000
      2       1.5734      2.00000
      3       2.3241      2.00000
      4       5.2490      1.99992
      5       6.5242      0.13492
      6       7.8176      0.00000
      7       9.5369      0.00000
      8       9.8299      0.00000
      9       9.9269      0.00000
     10      10.4547      0.00000
     11      11.2231      0.00000
     12      12.4569      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.3609      2.00000
      2       0.9268      2.00000
      3       2.3562      2.00000
      4       5.5975      1.99739
      5       5.9987      1.86531
      6       7.7295      0.00000
      7       8.7773      0.00000
      8       9.9944      0.00000
      9      10.0494      0.00000
     10      11.1649      0.00000
     11      11.4083      0.00000
     12      12.7255      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.9575      2.00000
      2       0.2088      2.00000
      3       2.6621      2.00000
      4       5.3028      1.99986
      5       6.0221      1.83290
      6       7.9294      0.00000
      7       7.9938      0.00000
      8       9.6842      0.00000
      9      10.3997      0.00000
     10      11.2619      0.00000
     11      11.9814      0.00000
     12      13.0215      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6149      2.00000
      2      -0.2855      2.00000
      3       3.0231      2.00000
      4       4.6916      2.00000
      5       6.4253      0.32557
      6       7.4224      0.00002
      7       8.1001      0.00000
      8       9.4262      0.00000
      9      10.7955      0.00000
     10      11.2395      0.00000
     11      12.3746      0.00000
     12      12.5934      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8573      2.00000
      2       0.7207      2.00000
      3       5.0736      1.99999
      4       5.1051      1.99998
      5       6.4071      0.37848
      6       7.2209      0.00014
      7       8.3287      0.00000
      8       8.4925      0.00000
      9       9.8025      0.00000
     10      11.2647      0.00000
     11      12.0442      0.00000
     12      13.3814      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.7899      2.00000
      2       0.7205      2.00000
      3       4.2816      2.00000
      4       5.1727      1.99996
      5       6.7291      0.01847
      6       7.7877      0.00000
      7       8.3606      0.00000
      8       8.4968      0.00000
      9       9.8251      0.00000
     10      11.3668      0.00000
     11      11.9609      0.00000
     12      12.1741      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6232      2.00000
      2       0.8007      2.00000
      3       3.2749      2.00000
      4       5.3376      1.99981
      5       6.6121      0.05830
      6       7.8157      0.00000
      7       8.5962      0.00000
      8       8.9500      0.00000
      9      10.4828      0.00000
     10      11.0534      0.00000
     11      11.5260      0.00000
     12      12.1763      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.3600      2.00000
      2       0.9315      2.00000
      3       2.3503      2.00000
      4       5.5982      1.99737
      5       5.9975      1.86691
      6       7.7299      0.00000
      7       8.7828      0.00000
      8       9.9882      0.00000
      9      10.0428      0.00000
     10      11.1526      0.00000
     11      11.4184      0.00000
     12      12.7305      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0082      2.00000
      2       0.9162      2.00000
      3       1.7448      2.00000
      4       5.2055      1.99995
      5       5.9501      1.91498
      6       7.9388      0.00000
      7       8.9177      0.00000
      8       9.2837      0.00000
      9      10.2551      0.00000
     10      11.2764      0.00000
     11      12.2154      0.00000
     12      13.0856      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.5936      2.00000
      2       0.4155      2.00000
      3       1.8175      2.00000
      4       4.4573      2.00000
      5       6.3766      0.48098
      6       8.2383      0.00000
      7       8.2804      0.00000
      8       9.5014      0.00000
      9       9.9520      0.00000
     10      11.4487      0.00000
     11      12.3131      0.00000
     12      12.7309      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2423      2.00000
      2      -0.0409      2.00000
      3       2.1093      2.00000
      4       3.8632      2.00000
      5       6.7709      0.01220
      6       7.7348      0.00000
      7       8.4550      0.00000
      8       9.6952      0.00000
      9       9.8919      0.00000
     10      11.6219      0.00000
     11      11.6235      0.00000
     12      12.7953      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4666      2.00000
      2      -0.0583      2.00000
      3       5.4769      1.99922
      4       5.5228      1.99876
      5       6.8601      0.00502
      6       7.2993      0.00006
      7       7.6139      0.00000
      8       7.6738      0.00000
      9       8.9690      0.00000
     10      11.4672      0.00000
     11      13.1226      0.00000
     12      13.7095      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.3967      2.00000
      2      -0.0491      2.00000
      3       4.6526      2.00000
      4       5.5934      1.99750
      5       6.8627      0.00489
      6       7.6857      0.00000
      7       7.7404      0.00000
      8       8.0377      0.00000
      9       9.0568      0.00000
     10      11.5418      0.00000
     11      12.5215      0.00000
     12      13.0142      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2256      2.00000
      2       0.0446      2.00000
      3       3.6260      2.00000
      4       5.7609      1.98670
      5       6.1745      1.40976
      6       7.7385      0.00000
      7       7.7947      0.00000
      8       9.0553      0.00000
      9       9.9655      0.00000
     10      11.4067      0.00000
     11      11.9686      0.00000
     12      12.7123      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.9555      2.00000
      2       0.2125      2.00000
      3       2.6563      2.00000
      4       5.2999      1.99987
      5       6.0238      1.83017
      6       7.9314      0.00000
      7       7.9977      0.00000
      8       9.6822      0.00000
      9      10.3940      0.00000
     10      11.2444      0.00000
     11      11.9767      0.00000
     12      13.0128      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.5924      2.00000
      2       0.4179      2.00000
      3       1.8140      2.00000
      4       4.4559      2.00000
      5       6.3776      0.47712
      6       8.2397      0.00000
      7       8.2835      0.00000
      8       9.4976      0.00000
      9       9.9519      0.00000
     10      11.4465      0.00000
     11      12.3113      0.00000
     12      12.7122      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.1579      2.00000
      2       0.4744      2.00000
      3       1.2940      2.00000
      4       3.7160      2.00000
      5       6.8056      0.00864
      6       8.5048      0.00000
      7       8.6136      0.00000
      8       8.8688      0.00000
      9       9.9470      0.00000
     10      11.0696      0.00000
     11      11.4566      0.00000
     12      13.7068      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.7772      2.00000
      2       0.2026      2.00000
      3       1.3323      2.00000
      4       3.1688      2.00000
      5       7.1962      0.00017
      6       8.1036      0.00000
      7       8.9039      0.00000
      8       9.1235      0.00000
      9       9.8158      0.00000
     10      10.7796      0.00000
     11      10.9360      0.00000
     12      13.5113      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1141      2.00000
      2      -0.6059      2.00000
      3       5.9001      1.94754
      4       5.9500      1.91509
      5       6.8312      0.00670
      6       7.0459      0.00078
      7       7.4207      0.00002
      8       7.5227      0.00001
      9       8.2415      0.00000
     10      11.3072      0.00000
     11      14.0254      0.00000
     12      14.4254      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0503      2.00000
      2      -0.5797      2.00000
      3       5.0737      1.99999
      4       6.0146      1.84397
      5       6.4921      0.18128
      6       7.0739      0.00059
      7       7.6657      0.00000
      8       8.2711      0.00000
      9       8.5049      0.00000
     10      11.4464      0.00000
     11      12.9080      0.00000
     12      13.9690      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.8825      2.00000
      2      -0.4698      2.00000
      3       4.0220      2.00000
      4       5.5942      1.99748
      5       6.1746      1.40936
      6       7.2010      0.00017
      7       7.8494      0.00000
      8       8.9599      0.00000
      9       9.7690      0.00000
     10      11.8007      0.00000
     11      11.9576      0.00000
     12      13.2713      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6115      2.00000
      2      -0.2835      2.00000
      3       3.0182      2.00000
      4       4.6872      2.00000
      5       6.4287      0.31657
      6       7.4244      0.00002
      7       8.1037      0.00000
      8       9.4239      0.00000
      9      10.7910      0.00000
     10      11.2208      0.00000
     11      12.3682      0.00000
     12      12.5880      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2396      2.00000
      2      -0.0398      2.00000
      3       2.1062      2.00000
      4       3.8604      2.00000
      5       6.7736      0.01188
      6       7.7360      0.00000
      7       8.4579      0.00000
      8       9.6940      0.00000
      9       9.8893      0.00000
     10      11.6184      0.00000
     11      11.6207      0.00000
     12      12.7752      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.7754      2.00000
      2       0.2026      2.00000
      3       1.3311      2.00000
      4       3.1676      2.00000
      5       7.1979      0.00017
      6       8.1036      0.00000
      7       8.9058      0.00000
      8       9.1227      0.00000
      9       9.8146      0.00000
     10      10.7780      0.00000
     11      10.9350      0.00000
     12      13.5092      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.2904      2.00000
      2       0.2524      2.00000
      3       0.8716      2.00000
      4       2.7052      2.00000
      5       7.6182      0.00000
      6       8.2983      0.00000
      7       8.7306      0.00000
      8       9.3865      0.00000
      9       9.7629      0.00000
     10      10.1421      0.00000
     11      10.4504      0.00000
     12      13.3688      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5265      2.00000
      2       3.5666      2.00000
      3       3.8369      2.00000
      4       4.4326      2.00000
      5       5.9387      1.92380
      6       6.5137      0.14869
      7       7.9613      0.00000
      8      10.8110      0.00000
      9      11.2825      0.00000
     10      11.7434      0.00000
     11      12.4875      0.00000
     12      12.8981      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4725      2.00000
      2       3.5140      2.00000
      3       3.6166      2.00000
      4       4.0978      2.00000
      5       6.5847      0.07604
      6       6.6052      0.06237
      7       8.1100      0.00000
      8      10.6629      0.00000
      9      11.0372      0.00000
     10      11.5347      0.00000
     11      12.1087      0.00000
     12      13.0630      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3207      2.00000
      2       2.6173      2.00000
      3       3.7209      2.00000
      4       4.1272      2.00000
      5       6.7735      0.01189
      6       7.3456      0.00004
      7       8.7186      0.00000
      8       9.8033      0.00000
      9      10.3337      0.00000
     10      11.1379      0.00000
     11      11.8290      0.00000
     12      13.0139      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0742      2.00000
      2       1.6498      2.00000
      3       3.9403      2.00000
      4       4.3256      2.00000
      5       7.0372      0.00086
      6       7.6587      0.00000
      7       8.8340      0.00000
      8       9.3471      0.00000
      9       9.9739      0.00000
     10      11.0562      0.00000
     11      11.3012      0.00000
     12      12.6199      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7415      2.00000
      2       0.7581      2.00000
      3       4.2552      2.00000
      4       4.6173      2.00000
      5       7.3078      0.00006
      6       7.6286      0.00000
      7       8.1692      0.00000
      8       8.5627      0.00000
      9      10.2628      0.00000
     10      11.2176      0.00000
     11      11.6062      0.00000
     12      12.3670      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3485      2.00000
      2      -0.0097      2.00000
      3       4.6582      2.00000
      4       4.9726      1.99999
      5       6.9129      0.00296
      6       7.3286      0.00005
      7       8.1364      0.00000
      8       8.3209      0.00000
      9       9.4961      0.00000
     10      11.5583      0.00000
     11      11.9507      0.00000
     12      13.3011      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0019      2.00000
      2      -0.5399      2.00000
      3       5.1167      1.99998
      4       5.3068      1.99986
      5       6.2775      0.92059
      6       6.8540      0.00533
      7       8.2951      0.00000
      8       8.6531      0.00000
      9       8.8161      0.00000
     10      11.5572      0.00000
     11      12.2331      0.00000
     12      14.0643      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3790      2.00000
      2       2.6526      2.00000
      3       3.8791      2.00000
      4       4.5702      2.00000
      5       6.1512      1.50168
      6       7.1386      0.00031
      7       8.6333      0.00000
      8       9.8005      0.00000
      9      10.3077      0.00000
     10      11.8091      0.00000
     11      12.0095      0.00000
     12      12.8911      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3203      2.00000
      2       2.6267      2.00000
      3       3.7138      2.00000
      4       4.1235      2.00000
      5       6.7646      0.01299
      6       7.3453      0.00004
      7       8.7311      0.00000
      8       9.8109      0.00000
      9      10.3316      0.00000
     10      11.1287      0.00000
     11      11.8270      0.00000
     12      13.0198      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1636      2.00000
      2       2.4863      2.00000
      3       3.0459      2.00000
      4       4.1679      2.00000
      5       7.1226      0.00036
      6       8.1834      0.00000
      7       8.9978      0.00000
      8       9.3879      0.00000
      9       9.7088      0.00000
     10      10.4947      0.00000
     11      12.1629      0.00000
     12      12.9915      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9121      2.00000
      2       1.7030      2.00000
      3       3.0550      2.00000
      4       4.3906      2.00000
      5       7.2665      0.00009
      6       8.4764      0.00000
      7       8.5326      0.00000
      8       9.2246      0.00000
      9       9.8477      0.00000
     10      10.6439      0.00000
     11      11.6698      0.00000
     12      12.7974      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.5744      2.00000
      2       0.8401      2.00000
      3       3.3140      2.00000
      4       4.7015      2.00000
      5       7.0233      0.00098
      6       7.8498      0.00000
      7       8.2402      0.00000
      8       9.2687      0.00000
      9      10.3532      0.00000
     10      10.9151      0.00000
     11      11.7622      0.00000
     12      12.4988      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.1771      2.00000
      2       0.0851      2.00000
      3       3.6713      2.00000
      4       5.0661      1.99999
      5       6.3481      0.59255
      6       7.2298      0.00012
      7       8.3889      0.00000
      8       9.4477      0.00000
      9      10.2180      0.00000
     10      10.7243      0.00000
     11      12.1856      0.00000
     12      13.1684      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8338      2.00000
      2      -0.4290      2.00000
      3       4.0734      2.00000
      4       5.3571      1.99976
      5       5.7147      1.99160
      6       6.7770      0.01148
      7       8.6102      0.00000
      8       9.4724      0.00000
      9       9.8383      0.00000
     10      11.1151      0.00000
     11      12.0431      0.00000
     12      13.2035      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1365      2.00000
      2       1.6673      2.00000
      3       4.1133      2.00000
      4       4.8046      2.00000
      5       6.4013      0.39655
      6       7.4391      0.00002
      7       8.8022      0.00000
      8       9.3032      0.00000
      9       9.9460      0.00000
     10      11.1229      0.00000
     11      12.0485      0.00000
     12      12.5559      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0733      2.00000
      2       1.6579      2.00000
      3       3.9327      2.00000
      4       4.3228      2.00000
      5       7.0295      0.00092
      6       7.6537      0.00000
      7       8.8399      0.00000
      8       9.3454      0.00000
      9       9.9909      0.00000
     10      11.0514      0.00000
     11      11.2948      0.00000
     12      12.6212      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9116      2.00000
      2       1.7100      2.00000
      3       3.0466      2.00000
      4       4.3909      2.00000
      5       7.2659      0.00009
      6       8.4785      0.00000
      7       8.5230      0.00000
      8       9.2244      0.00000
      9       9.8509      0.00000
     10      10.6497      0.00000
     11      11.6697      0.00000
     12      12.7911      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6545      2.00000
      2       1.6250      2.00000
      3       2.3521      2.00000
      4       4.6159      2.00000
      5       6.9510      0.00203
      6       8.1342      0.00000
      7       8.7801      0.00000
      8       9.3484      0.00000
      9      10.0690      0.00000
     10      10.8214      0.00000
     11      11.8236      0.00000
     12      12.7981      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3105      2.00000
      2       0.9747      2.00000
      3       2.3931      2.00000
      4       4.9097      2.00000
      5       6.2408      1.10329
      6       8.0636      0.00000
      7       8.3717      0.00000
      8       9.4624      0.00000
      9      10.4607      0.00000
     10      11.5002      0.00000
     11      11.8279      0.00000
     12      12.9143      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9063      2.00000
      2       0.2551      2.00000
      3       2.7043      2.00000
      4       5.0913      1.99998
      5       5.6790      1.99412
      6       7.4169      0.00002
      7       8.6301      0.00000
      8       9.7530      0.00000
      9      10.3204      0.00000
     10      11.3399      0.00000
     11      12.5596      0.00000
     12      12.6400      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5624      2.00000
      2      -0.2409      2.00000
      3       3.0702      2.00000
      4       4.6852      2.00000
      5       5.7711      1.98529
      6       6.9489      0.00207
      7       8.8700      0.00000
      8       9.9190      0.00000
      9      10.2137      0.00000
     10      11.2988      0.00000
     11      11.9722      0.00000
     12      12.9913      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8072      2.00000
      2       0.7642      2.00000
      3       4.4424      2.00000
      4       5.1294      1.99998
      5       6.6952      0.02582
      6       7.5873      0.00000
      7       7.9808      0.00000
      8       8.4701      0.00000
      9      10.2448      0.00000
     10      11.3581      0.00000
     11      12.1021      0.00000
     12      12.4196      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7398      2.00000
      2       0.7645      2.00000
      3       4.2473      2.00000
      4       4.6160      2.00000
      5       7.3022      0.00006
      6       7.6303      0.00000
      7       8.1628      0.00000
      8       8.5598      0.00000
      9      10.2588      0.00000
     10      11.2214      0.00000
     11      11.6148      0.00000
     12      12.3677      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5730      2.00000
      2       0.8461      2.00000
      3       3.3056      2.00000
      4       4.7026      2.00000
      5       7.0213      0.00100
      6       7.8546      0.00000
      7       8.2376      0.00000
      8       9.2560      0.00000
      9      10.3467      0.00000
     10      10.9129      0.00000
     11      11.7816      0.00000
     12      12.4920      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3097      2.00000
      2       0.9795      2.00000
      3       2.3872      2.00000
      4       4.9103      2.00000
      5       6.2396      1.10948
      6       8.0679      0.00000
      7       8.3718      0.00000
      8       9.4572      0.00000
      9      10.4494      0.00000
     10      11.4970      0.00000
     11      11.8393      0.00000
     12      12.9138      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.9576      2.00000
      2       0.9681      2.00000
      3       1.7817      2.00000
      4       4.9972      1.99999
      5       5.6358      1.99617
      6       8.1986      0.00000
      7       8.4932      0.00000
      8       8.9120      0.00000
      9      11.0069      0.00000
     10      11.7860      0.00000
     11      12.2999      0.00000
     12      12.4802      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.5424      2.00000
      2       0.4643      2.00000
      3       1.8603      2.00000
      4       4.4540      2.00000
      5       5.8046      1.97949
      6       7.6665      0.00000
      7       8.8471      0.00000
      8       9.0313      0.00000
      9      10.6710      0.00000
     10      11.7066      0.00000
     11      12.1420      0.00000
     12      12.8024      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.1899      2.00000
      2       0.0056      2.00000
      3       2.1575      2.00000
      4       3.8803      2.00000
      5       6.1058      1.65204
      6       7.2107      0.00015
      7       9.1982      0.00000
      8       9.2713      0.00000
      9      10.2831      0.00000
     10      11.2128      0.00000
     11      12.3380      0.00000
     12      12.8536      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4157      2.00000
      2      -0.0144      2.00000
      3       4.8475      2.00000
      4       5.5328      1.99863
      5       6.7650      0.01294
      6       7.3128      0.00005
      7       7.7207      0.00000
      8       7.9575      0.00000
      9       9.4358      0.00000
     10      11.6502      0.00000
     11      12.6475      0.00000
     12      13.1962      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3457      2.00000
      2      -0.0050      2.00000
      3       4.6502      2.00000
      4       4.9733      1.99999
      5       6.9142      0.00292
      6       7.3258      0.00005
      7       8.1305      0.00000
      8       8.3123      0.00000
      9       9.4917      0.00000
     10      11.5517      0.00000
     11      11.9483      0.00000
     12      13.3233      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.1746      2.00000
      2       0.0894      2.00000
      3       3.6635      2.00000
      4       5.0680      1.99999
      5       6.3447      0.60675
      6       7.2328      0.00012
      7       8.3901      0.00000
      8       9.4359      0.00000
      9      10.2106      0.00000
     10      10.7166      0.00000
     11      12.1790      0.00000
     12      13.1812      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9044      2.00000
      2       0.2588      2.00000
      3       2.6984      2.00000
      4       5.0905      1.99998
      5       5.6787      1.99413
      6       7.4201      0.00002
      7       8.6317      0.00000
      8       9.7483      0.00000
      9      10.3167      0.00000
     10      11.3240      0.00000
     11      12.5530      0.00000
     12      12.6359      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.5412      2.00000
      2       0.4669      2.00000
      3       1.8568      2.00000
      4       4.4526      2.00000
      5       5.8057      1.97927
      6       7.6688      0.00000
      7       8.8454      0.00000
      8       9.0309      0.00000
      9      10.6713      0.00000
     10      11.7040      0.00000
     11      12.1396      0.00000
     12      12.7850      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1064      2.00000
      2       0.5264      2.00000
      3       1.3368      2.00000
      4       3.7358      2.00000
      5       6.1871      1.35582
      6       7.7895      0.00000
      7       8.3863      0.00000
      8       9.3324      0.00000
      9      10.7420      0.00000
     10      10.9018      0.00000
     11      11.7915      0.00000
     12      14.0434      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7248      2.00000
      2       0.2522      2.00000
      3       1.3811      2.00000
      4       3.1912      2.00000
      5       6.5344      0.12269
      6       7.4938      0.00001
      7       8.5110      0.00000
      8       9.6521      0.00000
      9      10.2151      0.00000
     10      10.7027      0.00000
     11      11.6817      0.00000
     12      13.9419      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0615      2.00000
      2      -0.5632      2.00000
      3       5.2506      1.99992
      4       5.9488      1.91606
      5       6.3455      0.60347
      6       6.8856      0.00389
      7       7.7916      0.00000
      8       8.1302      0.00000
      9       8.7347      0.00000
     10      11.4730      0.00000
     11      13.0417      0.00000
     12      13.9696      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.9977      2.00000
      2      -0.5369      2.00000
      3       5.1084      1.99998
      4       5.3104      1.99985
      5       6.2764      0.92611
      6       6.8495      0.00558
      7       8.2915      0.00000
      8       8.6437      0.00000
      9       8.8116      0.00000
     10      11.5522      0.00000
     11      12.2261      0.00000
     12      14.0579      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8299      2.00000
      2      -0.4264      2.00000
      3       4.0666      2.00000
      4       5.3574      1.99976
      5       5.7132      1.99173
      6       6.7779      0.01138
      7       8.6140      0.00000
      8       9.4675      0.00000
      9       9.8218      0.00000
     10      11.1084      0.00000
     11      12.0342      0.00000
     12      13.1972      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5589      2.00000
      2      -0.2389      2.00000
      3       3.0653      2.00000
      4       4.6811      2.00000
      5       5.7744      1.98480
      6       6.9502      0.00204
      7       8.8736      0.00000
      8       9.9167      0.00000
      9      10.2094      0.00000
     10      11.2802      0.00000
     11      11.9654      0.00000
     12      12.9814      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.1871      2.00000
      2       0.0067      2.00000
      3       2.1544      2.00000
      4       3.8776      2.00000
      5       6.1085      1.64407
      6       7.2114      0.00015
      7       9.1995      0.00000
      8       9.2703      0.00000
      9      10.2823      0.00000
     10      11.2089      0.00000
     11      12.3347      0.00000
     12      12.8341      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7231      2.00000
      2       0.2523      2.00000
      3       1.3798      2.00000
      4       3.1899      2.00000
      5       6.5361      0.12066
      6       7.4935      0.00001
      7       8.5103      0.00000
      8       9.6538      0.00000
      9      10.2146      0.00000
     10      10.7006      0.00000
     11      11.6809      0.00000
     12      13.9394      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2382      2.00000
      2       0.3046      2.00000
      3       0.9220      2.00000
      4       2.7266      2.00000
      5       6.9698      0.00168
      6       7.5829      0.00000
      7       8.1093      0.00000
      8       9.7856      0.00000
      9      10.1379      0.00000
     10      10.5633      0.00000
     11      11.2250      0.00000
     12      13.7551      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2315      2.00000
      2       2.5850      2.00000
      3       3.0725      2.00000
      4       4.7165      2.00000
      5       6.4169      0.34923
      6       8.0561      0.00000
      7       8.6619      0.00000
      8       9.1515      0.00000
      9      10.3700      0.00000
     10      10.7449      0.00000
     11      11.9958      0.00000
     12      12.7130      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1727      2.00000
      2       2.6119      2.00000
      3       3.0277      2.00000
      4       4.1040      2.00000
      5       7.1612      0.00025
      6       8.1255      0.00000
      7       8.6905      0.00000
      8       9.1120      0.00000
      9      10.0251      0.00000
     10      10.6887      0.00000
     11      12.0791      0.00000
     12      12.9971      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0156      2.00000
      2       2.6394      2.00000
      3       2.7782      2.00000
      4       3.5587      2.00000
      5       8.1643      0.00000
      6       8.2176      0.00000
      7       8.7939      0.00000
      8       8.8440      0.00000
      9       9.3397      0.00000
     10      10.3271      0.00000
     11      12.5352      0.00000
     12      13.5171      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7634      2.00000
      2       1.8324      2.00000
      3       2.9782      2.00000
      4       3.6060      2.00000
      5       7.6617      0.00000
      6       8.1694      0.00000
      7       8.8439      0.00000
      8       9.0375      0.00000
      9       9.4082      0.00000
     10      10.7396      0.00000
     11      12.2819      0.00000
     12      13.4446      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4244      2.00000
      2       0.9730      2.00000
      3       3.3023      2.00000
      4       3.8362      2.00000
      5       6.8129      0.00803
      6       7.5073      0.00001
      7       9.1209      0.00000
      8       9.3495      0.00000
      9       9.6739      0.00000
     10      11.6040      0.00000
     11      11.9999      0.00000
     12      12.9669      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0245      2.00000
      2       0.2179      2.00000
      3       3.7181      2.00000
      4       4.1297      2.00000
      5       6.0061      1.85571
      6       6.8417      0.00603
      7       9.5540      0.00000
      8       9.7429      0.00000
      9       9.8140      0.00000
     10      10.9094      0.00000
     11      12.3529      0.00000
     12      13.0264      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6763      2.00000
      2      -0.3003      2.00000
      3       4.1914      2.00000
      4       4.3914      2.00000
      5       5.3122      1.99985
      6       6.3696      0.50688
      7       9.8147      0.00000
      8      10.0562      0.00000
      9      10.1474      0.00000
     10      10.3589      0.00000
     11      11.7784      0.00000
     12      12.9456      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9883      2.00000
      2       1.7769      2.00000
      3       3.1257      2.00000
      4       4.9507      2.00000
      5       6.5796      0.07980
      6       7.9168      0.00000
      7       8.5946      0.00000
      8       9.4316      0.00000
      9      10.0619      0.00000
     10      10.9192      0.00000
     11      11.5133      0.00000
     12      12.6505      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9249      2.00000
      2       1.7733      2.00000
      3       3.1442      2.00000
      4       4.2675      2.00000
      5       7.2345      0.00012
      6       8.0781      0.00000
      7       8.6037      0.00000
      8       9.5027      0.00000
      9       9.8023      0.00000
     10      10.6209      0.00000
     11      11.5576      0.00000
     12      13.2177      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7629      2.00000
      2       1.8396      2.00000
      3       2.9723      2.00000
      4       3.6037      2.00000
      5       7.6658      0.00000
      6       8.1685      0.00000
      7       8.8356      0.00000
      8       9.0258      0.00000
      9       9.4132      0.00000
     10      10.7514      0.00000
     11      12.2768      0.00000
     12      13.4494      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5052      2.00000
      2       1.7796      2.00000
      3       2.4063      2.00000
      4       3.6710      2.00000
      5       7.2410      0.00011
      6       7.7382      0.00000
      7       8.4550      0.00000
      8       9.2537      0.00000
      9      10.2633      0.00000
     10      11.1368      0.00000
     11      12.7601      0.00000
     12      13.4391      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.1601      2.00000
      2       1.1167      2.00000
      3       2.4914      2.00000
      4       3.9387      2.00000
      5       6.3561      0.55962
      6       7.1890      0.00019
      7       8.5152      0.00000
      8       9.5443      0.00000
      9      10.8520      0.00000
     10      12.1411      0.00000
     11      12.3351      0.00000
     12      12.7040      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.7535      2.00000
      2       0.3924      2.00000
      3       2.8241      2.00000
      4       4.2590      2.00000
      5       5.5359      1.99859
      6       6.5860      0.07505
      7       8.8113      0.00000
      8       9.8873      0.00000
      9      11.1183      0.00000
     10      11.6114      0.00000
     11      11.8439      0.00000
     12      13.4484      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4049      2.00000
      2      -0.1087      2.00000
      3       3.2090      2.00000
      4       4.4947      2.00000
      5       4.8763      2.00000
      6       6.2029      1.28519
      7       9.1366      0.00000
      8      10.1878      0.00000
      9      10.9060      0.00000
     10      11.2346      0.00000
     11      11.4619      0.00000
     12      13.4947      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6577      2.00000
      2       0.8912      2.00000
      3       3.4291      2.00000
      4       5.2751      1.99990
      5       6.4686      0.22411
      6       7.4570      0.00001
      7       8.5535      0.00000
      8       8.8615      0.00000
      9      10.7745      0.00000
     10      11.1417      0.00000
     11      11.6099      0.00000
     12      12.5487      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.5901      2.00000
      2       0.8932      2.00000
      3       3.4620      2.00000
      4       4.5283      2.00000
      5       6.7139      0.02146
      6       8.1119      0.00000
      7       8.3107      0.00000
      8       9.1364      0.00000
      9      10.3057      0.00000
     10      10.8326      0.00000
     11      11.8456      0.00000
     12      12.8368      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4230      2.00000
      2       0.9791      2.00000
      3       3.2962      2.00000
      4       3.8349      2.00000
      5       6.8167      0.00774
      6       7.5051      0.00001
      7       9.1145      0.00000
      8       9.3386      0.00000
      9       9.6686      0.00000
     10      11.5977      0.00000
     11      12.0219      0.00000
     12      12.9670      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.1592      2.00000
      2       1.1216      2.00000
      3       2.4854      2.00000
      4       3.9393      2.00000
      5       6.3555      0.56204
      6       7.1918      0.00018
      7       8.5103      0.00000
      8       9.5442      0.00000
      9      10.8364      0.00000
     10      12.1559      0.00000
     11      12.3353      0.00000
     12      12.7043      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8063      2.00000
      2       1.1236      2.00000
      3       1.8869      2.00000
      4       4.1912      2.00000
      5       5.5600      1.99821
      6       7.1326      0.00033
      7       7.9690      0.00000
      8       9.8541      0.00000
      9      11.6231      0.00000
     10      11.9761      0.00000
     11      12.6569      0.00000
     12      12.7210      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.3892      2.00000
      2       0.6100      2.00000
      3       1.9863      2.00000
      4       4.2972      2.00000
      5       5.0270      1.99999
      6       6.6958      0.02568
      7       8.0189      0.00000
      8      10.1720      0.00000
      9      10.9321      0.00000
     10      11.8953      0.00000
     11      12.9727      0.00000
     12      13.2124      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0327      2.00000
      2       0.1438      2.00000
      3       2.3011      2.00000
      4       3.9150      2.00000
      5       5.0620      1.99999
      6       6.3256      0.69044
      7       8.2641      0.00000
      8      10.1994      0.00000
      9      10.5915      0.00000
     10      11.6208      0.00000
     11      12.9740      0.00000
     12      13.5895      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2635      2.00000
      2       0.1153      2.00000
      3       3.8143      2.00000
      4       5.6771      1.99422
      5       5.9209      1.93585
      6       7.4275      0.00002
      7       7.9653      0.00000
      8       8.9841      0.00000
      9      10.1884      0.00000
     10      11.5608      0.00000
     11      12.2435      0.00000
     12      12.8716      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.1933      2.00000
      2       0.1255      2.00000
      3       3.8596      2.00000
      4       4.8547      2.00000
      5       6.0271      1.82502
      6       7.5748      0.00000
      7       8.4540      0.00000
      8       9.2305      0.00000
      9      10.2081      0.00000
     10      10.7417      0.00000
     11      12.3563      0.00000
     12      13.3226      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0220      2.00000
      2       0.2223      2.00000
      3       3.7121      2.00000
      4       4.1302      2.00000
      5       6.0077      1.85354
      6       6.8386      0.00622
      7       9.5517      0.00000
      8       9.7337      0.00000
      9       9.8030      0.00000
     10      10.9026      0.00000
     11      12.3493      0.00000
     12      13.0304      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.7516      2.00000
      2       0.3961      2.00000
      3       2.8183      2.00000
      4       4.2604      2.00000
      5       5.5345      1.99861
      6       6.5875      0.07399
      7       8.8063      0.00000
      8       9.8887      0.00000
      9      11.1044      0.00000
     10      11.6089      0.00000
     11      11.8353      0.00000
     12      13.4416      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.3880      2.00000
      2       0.6126      2.00000
      3       1.9827      2.00000
      4       4.2968      2.00000
      5       5.0273      1.99999
      6       6.6973      0.02530
      7       8.0161      0.00000
      8      10.1728      0.00000
      9      10.9312      0.00000
     10      11.8931      0.00000
     11      12.9556      0.00000
     12      13.2117      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.9523      2.00000
      2       0.6824      2.00000
      3       1.4628      2.00000
      4       3.7784      2.00000
      5       5.1979      1.99995
      6       6.7179      0.02064
      7       7.5300      0.00001
      8      10.0440      0.00000
      9      10.7472      0.00000
     10      12.0452      0.00000
     11      12.8934      0.00000
     12      14.1860      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.5681      2.00000
      2       0.4001      2.00000
      3       1.5264      2.00000
      4       3.2537      2.00000
      5       5.4842      1.99916
      6       6.4967      0.17393
      7       7.5263      0.00001
      8       9.5980      0.00000
      9      10.9958      0.00000
     10      11.8771      0.00000
     11      12.9234      0.00000
     12      14.4928      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9043      2.00000
      2      -0.4368      2.00000
      3       4.1843      2.00000
      4       5.4043      1.99962
      5       6.1003      1.66746
      6       7.0350      0.00087
      7       7.9990      0.00000
      8       8.9937      0.00000
      9       9.8500      0.00000
     10      11.8575      0.00000
     11      12.0856      0.00000
     12      13.0283      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8403      2.00000
      2      -0.4100      2.00000
      3       4.2393      2.00000
      4       5.1562      1.99997
      5       5.5430      1.99849
      6       6.9488      0.00207
      7       8.6304      0.00000
      8       9.4243      0.00000
      9       9.8740      0.00000
     10      11.0994      0.00000
     11      12.0759      0.00000
     12      13.1343      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6724      2.00000
      2      -0.2977      2.00000
      3       4.1850      2.00000
      4       4.3947      2.00000
      5       5.3110      1.99985
      6       6.3663      0.51953
      7       9.8085      0.00000
      8      10.0518      0.00000
      9      10.1390      0.00000
     10      10.3508      0.00000
     11      11.7720      0.00000
     12      12.9411      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4015      2.00000
      2      -0.1066      2.00000
      3       3.2040      2.00000
      4       4.4945      2.00000
      5       4.8766      2.00000
      6       6.2028      1.28547
      7       9.1322      0.00000
      8      10.1911      0.00000
      9      10.9042      0.00000
     10      11.2262      0.00000
     11      11.4438      0.00000
     12      13.4836      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0300      2.00000
      2       0.1450      2.00000
      3       2.2979      2.00000
      4       3.9124      2.00000
      5       5.0648      1.99999
      6       6.3257      0.69003
      7       8.2616      0.00000
      8      10.1972      0.00000
      9      10.5942      0.00000
     10      11.6182      0.00000
     11      12.9540      0.00000
     12      13.5864      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.5664      2.00000
      2       0.4002      2.00000
      3       1.5251      2.00000
      4       3.2525      2.00000
      5       5.4860      1.99914
      6       6.4960      0.17495
      7       7.5256      0.00001
      8       9.5969      0.00000
      9      10.9978      0.00000
     10      11.8755      0.00000
     11      12.9227      0.00000
     12      14.4746      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.0820      2.00000
      2       0.4608      2.00000
      3       1.0726      2.00000
      4       2.7882      2.00000
      5       5.9259      1.93267
      6       6.5088      0.15560
      7       7.0922      0.00049
      8       9.1918      0.00000
      9      11.4437      0.00000
     10      11.8893      0.00000
     11      12.5063      0.00000
     12      14.6762      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7444      2.00000
      2       1.7637      2.00000
      3       2.3777      2.00000
      4       5.1925      1.99995
      5       6.3668      0.51751
      6       7.4724      0.00001
      7       9.5851      0.00000
      8       9.7078      0.00000
      9       9.9690      0.00000
     10      10.4089      0.00000
     11      11.4304      0.00000
     12      12.5043      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6808      2.00000
      2       1.7964      2.00000
      3       2.3802      2.00000
      4       4.4759      2.00000
      5       6.6111      0.05891
      6       8.0730      0.00000
      7       8.9616      0.00000
      8       9.5826      0.00000
      9      10.0390      0.00000
     10      10.7410      0.00000
     11      11.7273      0.00000
     12      12.7675      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5180      2.00000
      2       1.9277      2.00000
      3       2.3923      2.00000
      4       3.5585      2.00000
      5       6.7660      0.01280
      6       7.9753      0.00000
      7       8.7897      0.00000
      8       9.2702      0.00000
      9      10.2146      0.00000
     10      11.0794      0.00000
     11      12.5930      0.00000
     12      13.5019      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2592      2.00000
      2       2.0360      2.00000
      3       2.2182      2.00000
      4       3.0632      2.00000
      5       6.7239      0.01944
      6       7.1121      0.00040
      7       8.0580      0.00000
      8      10.4753      0.00000
      9      10.5207      0.00000
     10      11.4060      0.00000
     11      12.7271      0.00000
     12      13.2588      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9119      2.00000
      2       1.3424      2.00000
      3       2.5127      2.00000
      4       3.1513      2.00000
      5       6.0023      1.86080
      6       6.6712      0.03272
      7       7.7598      0.00000
      8      10.8488      0.00000
      9      11.1201      0.00000
     10      11.6524      0.00000
     11      12.7694      0.00000
     12      13.1101      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5010      2.00000
      2       0.6151      2.00000
      3       2.9355      2.00000
      4       3.3932      2.00000
      5       5.1898      1.99996
      6       6.1386      1.54755
      7       7.9106      0.00000
      8      10.7412      0.00000
      9      11.3337      0.00000
     10      11.6169      0.00000
     11      12.5464      0.00000
     12      14.0090      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1438      2.00000
      2       0.1060      2.00000
      3       3.4169      2.00000
      4       3.6130      2.00000
      5       4.4901      2.00000
      6       5.7362      1.98960
      7       8.1656      0.00000
      8      10.2275      0.00000
      9      11.6162      0.00000
     10      11.7596      0.00000
     11      12.1178      0.00000
     12      14.0095      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4113      2.00000
      2       1.0797      2.00000
      3       2.4681      2.00000
      4       5.5165      1.99884
      5       5.7179      1.99133
      6       7.5452      0.00001
      7       8.8056      0.00000
      8      10.0347      0.00000
      9      10.1827      0.00000
     10      11.1993      0.00000
     11      11.4886      0.00000
     12      12.6210      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3434      2.00000
      2       1.0872      2.00000
      3       2.5127      2.00000
      4       4.7211      2.00000
      5       5.8478      1.96859
      6       8.3638      0.00000
      7       8.6058      0.00000
      8       9.4188      0.00000
      9      10.2763      0.00000
     10      11.2787      0.00000
     11      11.9827      0.00000
     12      13.0135      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1758      2.00000
      2       1.1840      2.00000
      3       2.6107      2.00000
      4       3.7630      2.00000
      5       5.9424      1.92102
      6       7.6442      0.00000
      7       8.5360      0.00000
      8       9.6473      0.00000
      9      10.6906      0.00000
     10      12.0249      0.00000
     11      12.1431      0.00000
     12      12.8548      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9111      2.00000
      2       1.3476      2.00000
      3       2.5082      2.00000
      4       3.1502      2.00000
      5       6.0060      1.85590
      6       6.6683      0.03367
      7       7.7560      0.00000
      8      10.8437      0.00000
      9      11.1081      0.00000
     10      11.6560      0.00000
     11      12.7842      0.00000
     12      13.1040      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.5565      2.00000
      2       1.3815      2.00000
      3       2.0284      2.00000
      4       3.2867      2.00000
      5       5.6110      1.99701
      6       6.1035      1.65860
      7       7.2323      0.00012
      8      10.6498      0.00000
      9      11.3789      0.00000
     10      12.4368      0.00000
     11      13.2769      0.00000
     12      13.6462      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.1359      2.00000
      2       0.8484      2.00000
      3       2.1832      2.00000
      4       3.5821      2.00000
      5       4.8160      2.00000
      6       5.7823      1.98356
      7       7.1504      0.00028
      8       9.9951      0.00000
      9      11.7391      0.00000
     10      12.9454      0.00000
     11      13.4019      0.00000
     12      14.3412      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.7719      2.00000
      2       0.3692      2.00000
      3       2.5350      2.00000
      4       3.8046      2.00000
      5       4.1634      2.00000
      6       5.5105      1.99891
      7       7.2915      0.00007
      8       9.4969      0.00000
      9      12.0371      0.00000
     10      12.8429      0.00000
     11      13.2279      0.00000
     12      14.8683      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0123      2.00000
      2       0.3231      2.00000
      3       2.8133      2.00000
      4       5.0278      1.99999
      5       5.9195      1.93670
      6       7.6677      0.00000
      7       8.2012      0.00000
      8       9.8362      0.00000
      9      10.5455      0.00000
     10      11.1608      0.00000
     11      12.1320      0.00000
     12      12.8716      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9417      2.00000
      2       0.3351      2.00000
      3       2.8685      2.00000
      4       4.8582      2.00000
      5       5.3398      1.99980
      6       7.8251      0.00000
      7       8.7155      0.00000
      8       9.6969      0.00000
      9      10.1766      0.00000
     10      11.1994      0.00000
     11      12.5977      0.00000
     12      13.0921      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7700      2.00000
      2       0.4366      2.00000
      3       2.9971      2.00000
      4       4.0405      2.00000
      5       5.2199      1.99994
      6       6.9538      0.00197
      7       8.7963      0.00000
      8      10.0306      0.00000
      9      10.9083      0.00000
     10      11.4189      0.00000
     11      11.9379      0.00000
     12      13.6247      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.4991      2.00000
      2       0.6190      2.00000
      3       2.9311      2.00000
      4       3.3936      2.00000
      5       5.1914      1.99995
      6       6.1362      1.55583
      7       7.9058      0.00000
      8      10.7379      0.00000
      9      11.3276      0.00000
     10      11.6057      0.00000
     11      12.5381      0.00000
     12      14.0161      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.1347      2.00000
      2       0.8512      2.00000
      3       2.1794      2.00000
      4       3.5830      2.00000
      5       4.8158      2.00000
      6       5.7825      1.98352
      7       7.1480      0.00028
      8       9.9936      0.00000
      9      11.7400      0.00000
     10      12.9330      0.00000
     11      13.3936      0.00000
     12      14.3492      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.6971      2.00000
      2       0.9411      2.00000
      3       1.6641      2.00000
      4       3.6962      2.00000
      5       4.3869      2.00000
      6       5.6833      1.99386
      7       6.6657      0.03453
      8       9.3501      0.00000
      9      12.1375      0.00000
     10      13.4277      0.00000
     11      14.1887      0.00000
     12      14.4254      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3080      2.00000
      2       0.6433      2.00000
      3       1.7648      2.00000
      4       3.3376      2.00000
      5       4.4631      2.00000
      6       5.5228      1.99876
      7       6.5528      0.10304
      8       8.9154      0.00000
      9      12.4625      0.00000
     10      13.2585      0.00000
     11      14.3067      0.00000
     12      14.7341      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6435      2.00000
      2      -0.2326      2.00000
      3       3.1479      2.00000
      4       4.5161      2.00000
      5       6.3385      0.63323
      6       7.2801      0.00008
      7       8.2607      0.00000
      8       9.5141      0.00000
      9      10.9068      0.00000
     10      11.2645      0.00000
     11      12.0459      0.00000
     12      12.7293      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5791      2.00000
      2      -0.2050      2.00000
      3       3.2051      2.00000
      4       4.5001      2.00000
      5       5.5671      1.99807
      6       7.1676      0.00023
      7       8.8922      0.00000
      8       9.8973      0.00000
      9      10.2093      0.00000
     10      11.2968      0.00000
     11      11.9549      0.00000
     12      13.1331      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4111      2.00000
      2      -0.0892      2.00000
      3       3.3584      2.00000
      4       4.2842      2.00000
      5       4.7502      2.00000
      6       6.3852      0.45017
      7       9.1157      0.00000
      8      10.2001      0.00000
      9      10.8646      0.00000
     10      11.2028      0.00000
     11      11.5168      0.00000
     12      13.5000      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1404      2.00000
      2       0.1082      2.00000
      3       3.4123      2.00000
      4       3.6160      2.00000
      5       4.4891      2.00000
      6       5.7336      1.98987
      7       8.1612      0.00000
      8      10.2229      0.00000
      9      11.6068      0.00000
     10      11.7541      0.00000
     11      12.1082      0.00000
     12      14.0035      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.7692      2.00000
      2       0.3706      2.00000
      3       2.5318      2.00000
      4       3.8045      2.00000
      5       4.1642      2.00000
      6       5.5097      1.99891
      7       7.2890      0.00007
      8       9.4942      0.00000
      9      12.0402      0.00000
     10      12.8381      0.00000
     11      13.2081      0.00000
     12      14.8568      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3063      2.00000
      2       0.6435      2.00000
      3       1.7635      2.00000
      4       3.3365      2.00000
      5       4.4650      2.00000
      6       5.5219      1.99877
      7       6.5521      0.10379
      8       8.9144      0.00000
      9      12.4647      0.00000
     10      13.2565      0.00000
     11      14.3057      0.00000
     12      14.7161      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1774      2.00000
      2       0.7198      2.00000
      3       1.3207      2.00000
      4       2.8818      2.00000
      5       4.9001      2.00000
      6       5.4719      1.99926
      7       6.0887      1.69845
      8       8.5635      0.00000
      9      12.9078      0.00000
     10      13.3340      0.00000
     11      13.9227      0.00000
     12      15.8499      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0749      2.00000
      2       1.1379      2.00000
      3       1.8007      2.00000
      4       4.9170      2.00000
      5       5.8505      1.96773
      6       7.8108      0.00000
      7       9.0593      0.00000
      8       9.2871      0.00000
      9      10.5866      0.00000
     10      11.3626      0.00000
     11      11.9902      0.00000
     12      12.5643      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0064      2.00000
      2       1.1760      2.00000
      3       1.8207      2.00000
      4       4.7754      2.00000
      5       5.2699      1.99990
      6       8.3597      0.00000
      7       8.7187      0.00000
      8       9.0978      0.00000
      9      11.0202      0.00000
     10      11.8733      0.00000
     11      12.0945      0.00000
     12      12.4699      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8377      2.00000
      2       1.3152      2.00000
      3       1.9083      2.00000
      4       3.9954      2.00000
      5       5.1313      1.99998
      6       7.3665      0.00003
      7       8.2762      0.00000
      8       9.9859      0.00000
      9      11.6354      0.00000
     10      11.9354      0.00000
     11      12.4133      0.00000
     12      12.8429      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.5712      2.00000
      2       1.5508      2.00000
      3       2.0154      2.00000
      4       3.1299      2.00000
      5       5.1895      1.99996
      6       6.3787      0.47303
      7       7.4404      0.00002
      8      10.7091      0.00000
      9      11.4818      0.00000
     10      12.3793      0.00000
     11      13.1900      0.00000
     12      13.5533      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2136      2.00000
      2       1.7391      2.00000
      3       1.9687      2.00000
      4       2.6930      2.00000
      5       5.1566      1.99997
      6       5.5395      1.99854
      7       6.7695      0.01237
      8       9.9509      0.00000
      9      12.7565      0.00000
     10      12.8096      0.00000
     11      13.7672      0.00000
     12      14.2770      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.7869      2.00000
      2       1.1672      2.00000
      3       2.3495      2.00000
      4       2.8248      2.00000
      5       4.5380      2.00000
      6       5.2184      1.99994
      7       6.4313      0.30971
      8       9.2943      0.00000
      9      13.2138      0.00000
     10      13.4616      0.00000
     11      14.2309      0.00000
     12      14.9887      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4100      2.00000
      2       0.6706      2.00000
      3       2.8323      2.00000
      4       3.0184      2.00000
      5       3.8546      2.00000
      6       4.9902      1.99999
      7       6.4052      0.38407
      8       8.8401      0.00000
      9      13.5362      0.00000
     10      13.5915      0.00000
     11      14.0116      0.00000
     12      15.4870      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6676      2.00000
      2       0.5830      2.00000
      3       1.9158      2.00000
      4       4.2100      2.00000
      5       6.2519      1.04823
      6       8.0001      0.00000
      7       8.5057      0.00000
      8       9.6004      0.00000
      9      10.2586      0.00000
     10      11.3998      0.00000
     11      12.0657      0.00000
     12      12.5231      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5964      2.00000
      2       0.5998      2.00000
      3       1.9702      2.00000
      4       4.1923      2.00000
      5       5.4986      1.99903
      6       8.1035      0.00000
      7       8.8879      0.00000
      8       9.0591      0.00000
      9      10.5754      0.00000
     10      11.7501      0.00000
     11      12.3202      0.00000
     12      12.6036      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4237      2.00000
      2       0.7110      2.00000
      3       2.1109      2.00000
      4       4.0580      2.00000
      5       4.6835      2.00000
      6       7.1262      0.00035
      7       8.0183      0.00000
      8      10.3416      0.00000
      9      10.9046      0.00000
     10      11.7255      0.00000
     11      12.8079      0.00000
     12      13.5455      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.1518      2.00000
      2       0.9096      2.00000
      3       2.3206      2.00000
      4       3.3670      2.00000
      5       4.5154      2.00000
      6       6.1184      1.61440
      7       7.1653      0.00024
      8      10.0284      0.00000
      9      11.8791      0.00000
     10      12.7576      0.00000
     11      13.2488      0.00000
     12      14.5830      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.7858      2.00000
      2       1.1703      2.00000
      3       2.3465      2.00000
      4       2.8250      2.00000
      5       4.5396      2.00000
      6       5.2159      1.99994
      7       6.4293      0.31478
      8       9.2928      0.00000
      9      13.2095      0.00000
     10      13.4488      0.00000
     11      14.2220      0.00000
     12      15.0098      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.3448      2.00000
      2       1.2998      2.00000
      3       1.9157      2.00000
      4       3.0685      2.00000
      5       4.2187      2.00000
      6       4.7321      2.00000
      7       5.9058      1.94458
      8       8.6989      0.00000
      9      13.6676      0.00000
     10      14.6496      0.00000
     11      14.8295      0.00000
     12      15.4565      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1       0.0532      2.00000
      2       0.9739      2.00000
      3       2.0872      2.00000
      4       3.3101      2.00000
      5       3.6244      2.00000
      6       4.6612      2.00000
      7       5.6626      1.99500
      8       8.3200      0.00000
      9      14.0099      0.00000
     10      14.6532      0.00000
     11      15.0720      0.00000
     12      15.7312      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2824      2.00000
      2       0.0347      2.00000
      3       2.1935      2.00000
      4       3.7210      2.00000
      5       6.6697      0.03320
      6       7.6151      0.00000
      7       8.6066      0.00000
      8       9.7683      0.00000
      9      10.0494      0.00000
     10      11.1333      0.00000
     11      11.9619      0.00000
     12      12.7983      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2173      2.00000
      2       0.0638      2.00000
      3       2.2507      2.00000
      4       3.7263      2.00000
      5       5.8809      1.95652
      6       7.4621      0.00001
      7       9.1374      0.00000
      8       9.3299      0.00000
      9      10.2900      0.00000
     10      11.1823      0.00000
     11      12.4492      0.00000
     12      12.8863      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0489      2.00000
      2       0.1850      2.00000
      3       2.4074      2.00000
      4       3.7472      2.00000
      5       4.8670      2.00000
      6       6.5776      0.08138
      7       8.2330      0.00000
      8      10.2468      0.00000
      9      10.5472      0.00000
     10      11.6175      0.00000
     11      13.0139      0.00000
     12      13.6998      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.7781      2.00000
      2       0.3926      2.00000
      3       2.6610      2.00000
      4       3.5927      2.00000
      5       4.0713      2.00000
      6       5.6829      1.99388
      7       7.2759      0.00008
      8       9.5109      0.00000
      9      11.9969      0.00000
     10      12.8478      0.00000
     11      13.2631      0.00000
     12      14.8843      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4074      2.00000
      2       0.6722      2.00000
      3       2.8292      2.00000
      4       3.0209      2.00000
      5       3.8539      2.00000
      6       4.9879      1.99999
      7       6.4028      0.39171
      8       8.8376      0.00000
      9      13.5163      0.00000
     10      13.5951      0.00000
     11      14.0005      0.00000
     12      15.4793      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.0548      2.00000
      2       0.9743      2.00000
      3       2.0859      2.00000
      4       3.3102      2.00000
      5       3.6252      2.00000
      6       4.6599      2.00000
      7       5.6618      1.99504
      8       8.3190      0.00000
      9      14.0124      0.00000
     10      14.6489      0.00000
     11      15.0543      0.00000
     12      15.7298      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.5378      2.00000
      2       1.0790      2.00000
      3       1.6594      2.00000
      4       2.9915      2.00000
      5       3.9545      2.00000
      6       4.5188      2.00000
      7       5.1640      1.99997
      8       8.0184      0.00000
      9      14.4508      0.00000
     10      14.8210      0.00000
     11      15.3934      0.00000
     12      16.1712      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2468      2.00000
      2       0.7173      2.00000
      3       1.2977      2.00000
      4       3.5216      2.00000
      5       6.6632      0.03540
      6       8.3972      0.00000
      7       8.7850      0.00000
      8       8.8862      0.00000
      9      10.2560      0.00000
     10      10.8720      0.00000
     11      11.4076      0.00000
     12      13.5877      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1740      2.00000
      2       0.7607      2.00000
      3       1.3271      2.00000
      4       3.5180      2.00000
      5       5.8683      1.96158
      6       7.9657      0.00000
      7       8.6332      0.00000
      8       9.4685      0.00000
      9      10.7363      0.00000
     10      11.0806      0.00000
     11      11.6300      0.00000
     12      13.8048      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9994      2.00000
      2       0.9060      2.00000
      3       1.4450      2.00000
      4       3.5413      2.00000
      5       4.8714      2.00000
      6       6.9313      0.00246
      7       7.7707      0.00000
      8      10.1643      0.00000
      9      10.8585      0.00000
     10      12.0539      0.00000
     11      12.8702      0.00000
     12      14.1710      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7248      2.00000
      2       1.1509      2.00000
      3       1.6433      2.00000
      4       3.4591      2.00000
      5       4.0627      2.00000
      6       5.9265      1.93223
      7       6.8527      0.00540
      8       9.4229      0.00000
      9      12.3013      0.00000
     10      13.3790      0.00000
     11      14.2320      0.00000
     12      14.4625      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.3550      2.00000
      2       1.4870      2.00000
      3       1.8895      2.00000
      4       2.8634      2.00000
      5       3.8979      2.00000
      6       5.0035      1.99999
      7       6.0213      1.83402
      8       8.7395      0.00000
      9      13.8223      0.00000
     10      14.6180      0.00000
     11      14.8604      0.00000
     12      15.5017      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.0931      2.00000
      2       1.7498      2.00000
      3       2.0343      2.00000
      4       2.4612      2.00000
      5       3.8839      2.00000
      6       4.2352      2.00000
      7       5.3431      1.99979
      8       8.2054      0.00000
      9      15.1432      0.00000
     10      15.1830      0.00000
     11      15.6252      0.00000
     12      16.1632      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.5082      2.00000
      2       1.3684      2.00000
      3       2.4572      2.00000
      4       2.6167      2.00000
      5       3.4105      2.00000
      6       4.0652      2.00000
      7       4.8987      2.00000
      8       7.8779      0.00000
      9      15.4118      0.00000
     10      15.6080      0.00000
     11      15.9055      0.00000
     12      16.8373      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8308      2.00000
      2       0.3266      2.00000
      3       1.3456      2.00000
      4       3.0696      2.00000
      5       7.0818      0.00055
      6       8.0201      0.00000
      7       9.0248      0.00000
      8       9.1599      0.00000
      9      10.0384      0.00000
     10      10.3515      0.00000
     11      11.1852      0.00000
     12      13.4878      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7640      2.00000
      2       0.3585      2.00000
      3       1.4004      2.00000
      4       3.0803      2.00000
      5       6.2822      0.89706
      6       7.7835      0.00000
      7       8.4506      0.00000
      8       9.7015      0.00000
      9      10.2131      0.00000
     10      10.7585      0.00000
     11      11.6747      0.00000
     12      13.8395      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5943      2.00000
      2       0.4884      2.00000
      3       1.5564      2.00000
      4       3.1286      2.00000
      5       5.2470      1.99992
      6       6.7893      0.01016
      7       7.4915      0.00001
      8       9.6444      0.00000
      9      10.9767      0.00000
     10      11.9197      0.00000
     11      12.9252      0.00000
     12      14.5954      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3228      2.00000
      2       0.7121      2.00000
      3       1.8126      2.00000
      4       3.1913      2.00000
      5       4.2687      2.00000
      6       5.7744      1.98480
      7       6.5347      0.12227
      8       8.9500      0.00000
      9      12.4208      0.00000
     10      13.2984      0.00000
     11      14.3205      0.00000
     12      14.8467      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.0481      2.00000
      2       1.0187      2.00000
      3       2.1653      2.00000
      4       3.1002      2.00000
      5       3.5369      2.00000
      6       4.8454      2.00000
      7       5.6553      1.99536
      8       8.3378      0.00000
      9      13.9345      0.00000
     10      14.7089      0.00000
     11      15.1722      0.00000
     12      15.7332      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.5098      2.00000
      2       1.3691      2.00000
      3       2.4557      2.00000
      4       2.6184      2.00000
      5       3.4100      2.00000
      6       4.0635      2.00000
      7       4.8978      2.00000
      8       7.8770      0.00000
      9      15.3959      0.00000
     10      15.6098      0.00000
     11      15.8945      0.00000
     12      16.8202      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9927      2.00000
      2       1.5295      2.00000
      3       2.0662      2.00000
      4       3.0159      2.00000
      5       3.1968      2.00000
      6       3.6693      2.00000
      7       4.3462      2.00000
      8       7.6171      0.00000
      9      16.0111      0.00000
     10      16.2203      0.00000
     11      16.6362      0.00000
     12      16.8286      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3464      2.00000
      2       0.5061      2.00000
      3       0.7080      2.00000
      4       2.6635      2.00000
      5       7.5085      0.00001
      6       8.4006      0.00000
      7       8.5461      0.00000
      8       9.4400      0.00000
      9       9.7228      0.00000
     10      10.2163      0.00000
     11      10.5504      0.00000
     12      13.3797      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2744      2.00000
      2       0.5546      2.00000
      3       0.7431      2.00000
      4       2.6747      2.00000
      5       6.6869      0.02803
      6       7.7481      0.00000
      7       8.1806      0.00000
      8       9.8278      0.00000
      9      10.2074      0.00000
     10      10.7722      0.00000
     11      10.9962      0.00000
     12      13.7016      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.0999      2.00000
      2       0.7051      2.00000
      3       0.8833      2.00000
      4       2.7241      2.00000
      5       5.6382      1.99608
      6       6.6981      0.02509
      7       7.1911      0.00018
      8       9.2690      0.00000
      9      11.4565      0.00000
     10      12.0847      0.00000
     11      12.2757      0.00000
     12      14.5975      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1757      2.00000
      2       0.9562      2.00000
      3       1.1279      2.00000
      4       2.8010      2.00000
      5       4.6342      2.00000
      6       5.6841      1.99381
      7       6.1662      1.44379
      8       8.6265      0.00000
      9      12.8880      0.00000
     10      13.5286      0.00000
     11      13.7065      0.00000
     12      15.7691      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.5498      2.00000
      2       1.3037      2.00000
      3       1.4741      2.00000
      4       2.8818      2.00000
      5       3.7226      2.00000
      6       4.7510      2.00000
      7       5.2134      1.99994
      8       8.0612      0.00000
      9      14.3922      0.00000
     10      15.0180      0.00000
     11      15.1827      0.00000
     12      16.5297      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.0137      2.00000
      2       1.7302      2.00000
      3       1.9118      2.00000
      4       2.8107      2.00000
      5       3.0565      2.00000
      6       3.9224      2.00000
      7       4.3672      2.00000
      8       7.6387      0.00000
      9      15.8784      0.00000
     10      16.4538      0.00000
     11      16.5899      0.00000
     12      16.9595      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4998      2.00000
      2       2.0172      2.00000
      3       2.3765      2.00000
      4       2.4401      2.00000
      5       2.9813      2.00000
      6       3.2763      2.00000
      7       3.6893      2.00000
      8       7.4030      0.00002
      9      16.9916      0.00000
     10      17.3964      0.00000
     11      17.4522      0.00000
     12      17.6673      0.00000

 k-point   197 :      -0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0779      2.00000
      2      -0.5490      2.00000
      3       5.3280      1.99982
      4       5.9773      1.88983
      5       6.2155      1.22631
      6       7.1142      0.00040
      7       7.5465      0.00001
      8       7.9187      0.00000
      9       8.9687      0.00000
     10      11.5437      0.00000
     11      13.1663      0.00000
     12      14.2189      0.00000

 k-point   198 :      -0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4377      2.00000
      2       0.0154      2.00000
      3       5.0298      1.99999
      4       5.5471      1.99842
      5       6.5657      0.09114
      6       7.1625      0.00024
      7       7.7547      0.00000
      8       7.8018      0.00000
      9       9.6351      0.00000
     10      11.8054      0.00000
     11      12.9838      0.00000
     12      13.1021      0.00000

 k-point   199 :      -0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8263      2.00000
      2       0.8011      2.00000
      3       4.6081      2.00000
      4       5.1338      1.99997
      5       6.6246      0.05162
      6       7.2654      0.00009
      7       7.8106      0.00000
      8       8.5781      0.00000
      9      10.3798      0.00000
     10      11.3481      0.00000
     11      12.3896      0.00000
     12      12.5995      0.00000

 k-point   200 :      -0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1509      2.00000
      2       1.7101      2.00000
      3       4.2417      2.00000
      4       4.8021      2.00000
      5       6.3320      0.66149
      6       7.3386      0.00004
      7       8.3568      0.00000
      8       9.5184      0.00000
      9       9.8525      0.00000
     10      11.2353      0.00000
     11      12.2366      0.00000
     12      12.8911      0.00000

 k-point   201 :      -0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3885      2.00000
      2       2.7045      2.00000
      3       3.9600      2.00000
      4       4.5635      2.00000
      5       6.1009      1.66594
      6       7.0861      0.00052
      7       8.5312      0.00000
      8       9.3331      0.00000
      9      10.5580      0.00000
     10      11.9520      0.00000
     11      12.0079      0.00000
     12      12.9790      0.00000

 k-point   202 :      -0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5311      2.00000
      2       3.6762      2.00000
      3       3.8179      2.00000
      4       4.4215      2.00000
      5       5.9022      1.94647
      6       6.4802      0.20199
      7       7.9262      0.00000
      8      10.2624      0.00000
      9      11.5730      0.00000
     10      11.8742      0.00000
     11      12.5597      0.00000
     12      12.8956      0.00000

 k-point   203 :      -0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9340      2.00000
      2      -0.4039      2.00000
      3       4.2540      2.00000
      4       5.3050      1.99986
      5       6.1049      1.65455
      6       7.2842      0.00007
      7       7.7347      0.00000
      8       8.8934      0.00000
      9       9.8760      0.00000
     10      12.0484      0.00000
     11      12.1942      0.00000
     12      13.3210      0.00000

 k-point   204 :      -0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.3048      2.00000
      2       0.1807      2.00000
      3       3.9938      2.00000
      4       5.6463      1.99575
      5       5.6716      1.99454
      6       7.4390      0.00002
      7       7.9374      0.00000
      8       8.8343      0.00000
      9      10.2299      0.00000
     10      11.8359      0.00000
     11      12.5870      0.00000
     12      12.9564      0.00000

 k-point   205 :      -0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6937      2.00000
      2       0.9735      2.00000
      3       3.5922      2.00000
      4       5.2620      1.99991
      5       6.2347      1.13350
      6       7.1929      0.00018
      7       8.6950      0.00000
      8       8.7661      0.00000
      9      10.7549      0.00000
     10      11.4421      0.00000
     11      11.4626      0.00000
     12      12.8567      0.00000

 k-point   206 :      -0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.0157      2.00000
      2       1.8785      2.00000
      3       3.2417      2.00000
      4       4.9348      2.00000
      5       6.5137      0.14872
      6       7.4258      0.00002
      7       8.4870      0.00000
      8       9.7080      0.00000
      9       9.9365      0.00000
     10      11.0826      0.00000
     11      11.4734      0.00000
     12      12.7411      0.00000

 k-point   207 :      -0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2496      2.00000
      2       2.7399      2.00000
      3       3.0981      2.00000
      4       4.7009      2.00000
      5       6.3743      0.48921
      6       7.9619      0.00000
      7       8.1670      0.00000
      8       9.0272      0.00000
      9      10.6437      0.00000
     10      10.9116      0.00000
     11      11.9830      0.00000
     12      12.6927      0.00000

 k-point   208 :      -0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3881      2.00000
      2       2.7145      2.00000
      3       3.9485      2.00000
      4       4.5638      2.00000
      5       6.0960      1.67938
      6       7.0807      0.00055
      7       8.5436      0.00000
      8       9.3326      0.00000
      9      10.5680      0.00000
     10      11.9406      0.00000
     11      12.0141      0.00000
     12      12.9681      0.00000

 k-point   209 :      -0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6882      2.00000
      2      -0.1790      2.00000
      3       3.2066      2.00000
      4       4.4276      2.00000
      5       6.3281      0.67923
      6       7.5495      0.00001
      7       7.9934      0.00000
      8       9.5236      0.00000
      9      11.0224      0.00000
     10      11.0738      0.00000
     11      12.2663      0.00000
     12      12.5588      0.00000

 k-point   210 :      -0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0729      2.00000
      2       0.4269      2.00000
      3       2.9639      2.00000
      4       4.7673      2.00000
      5       5.8926      1.95126
      6       7.6931      0.00000
      7       8.2137      0.00000
      8       9.8392      0.00000
      9      10.7829      0.00000
     10      10.9369      0.00000
     11      12.3296      0.00000
     12      12.6067      0.00000

 k-point   211 :      -0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4638      2.00000
      2       1.2170      2.00000
      3       2.5961      2.00000
      4       5.4101      1.99960
      5       5.4869      1.99914
      6       7.3875      0.00003
      7       9.0451      0.00000
      8       9.9748      0.00000
      9      10.3847      0.00000
     10      11.0618      0.00000
     11      11.4272      0.00000
     12      12.5218      0.00000

 k-point   212 :      -0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7843      2.00000
      2       1.9583      2.00000
      3       2.4290      2.00000
      4       5.1643      1.99997
      5       6.1242      1.59586
      6       7.1892      0.00019
      7       9.6242      0.00000
      8       9.8968      0.00000
      9      10.1203      0.00000
     10      10.2504      0.00000
     11      11.4022      0.00000
     12      12.4398      0.00000

 k-point   213 :      -0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.0152      2.00000
      2       1.8862      2.00000
      3       3.2327      2.00000
      4       4.9353      2.00000
      5       6.5131      0.14956
      6       7.4229      0.00002
      7       8.4745      0.00000
      8       9.7159      0.00000
      9       9.9550      0.00000
     10      11.0734      0.00000
     11      11.4769      0.00000
     12      12.7335      0.00000

 k-point   214 :      -0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1500      2.00000
      2       1.7183      2.00000
      3       4.2306      2.00000
      4       4.8028      2.00000
      5       6.3271      0.68366
      6       7.3288      0.00005
      7       8.3548      0.00000
      8       9.5267      0.00000
      9       9.8729      0.00000
     10      11.2384      0.00000
     11      12.2255      0.00000
     12      12.8830      0.00000

 k-point   215 :      -0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.3442      2.00000
      2       0.1114      2.00000
      3       2.2397      2.00000
      4       3.6454      2.00000
      5       6.6446      0.04249
      6       7.9010      0.00000
      7       8.3371      0.00000
      8       9.8579      0.00000
      9      10.0970      0.00000
     10      11.3265      0.00000
     11      11.6881      0.00000
     12      12.5035      0.00000

 k-point   216 :      -0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.7472      2.00000
      2       0.7350      2.00000
      3       2.0182      2.00000
      4       3.9836      2.00000
      5       6.2075      1.26395
      6       8.0091      0.00000
      7       8.5740      0.00000
      8       9.8319      0.00000
      9      10.3149      0.00000
     10      11.5806      0.00000
     11      11.7069      0.00000
     12      12.1813      0.00000

 k-point   217 :      -0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.1425      2.00000
      2       1.3634      2.00000
      3       1.8486      2.00000
      4       4.6276      2.00000
      5       5.8056      1.97929
      6       7.6713      0.00000
      7       9.3359      0.00000
      8       9.5020      0.00000
      9      10.6968      0.00000
     10      11.3507      0.00000
     11      11.6775      0.00000
     12      12.4736      0.00000

 k-point   218 :      -0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4630      2.00000
      2       1.2223      2.00000
      3       2.5897      2.00000
      4       5.4085      1.99961
      5       5.4876      1.99913
      6       7.3878      0.00003
      7       9.0507      0.00000
      8       9.9604      0.00000
      9      10.3782      0.00000
     10      11.0629      0.00000
     11      11.4414      0.00000
     12      12.5221      0.00000

 k-point   219 :      -0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6924      2.00000
      2       0.9796      2.00000
      3       3.5836      2.00000
      4       5.2632      1.99991
      5       6.2320      1.14673
      6       7.1917      0.00018
      7       8.6805      0.00000
      8       8.7724      0.00000
      9      10.7595      0.00000
     10      11.4338      0.00000
     11      11.4825      0.00000
     12      12.8470      0.00000

 k-point   220 :      -0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8246      2.00000
      2       0.8076      2.00000
      3       4.5977      2.00000
      4       5.1353      1.99997
      5       6.6212      0.05338
      6       7.2550      0.00010
      7       7.8059      0.00000
      8       8.5847      0.00000
      9      10.3809      0.00000
     10      11.3700      0.00000
     11      12.3838      0.00000
     12      12.5893      0.00000

 k-point   221 :      -0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.9116      2.00000
      2       0.4289      2.00000
      3       1.3730      2.00000
      4       3.0132      2.00000
      5       7.0468      0.00078
      6       8.3064      0.00000
      7       8.7582      0.00000
      8       9.2856      0.00000
      9      10.0697      0.00000
     10      10.5338      0.00000
     11      10.8895      0.00000
     12      13.3954      0.00000

 k-point   222 :      -0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.3411      2.00000
      2       0.9637      2.00000
      3       1.2838      2.00000
      4       3.3520      2.00000
      5       6.6074      0.06107
      6       8.3822      0.00000
      7       8.9618      0.00000
      8       9.0157      0.00000
      9      10.4314      0.00000
     10      10.9600      0.00000
     11      10.9940      0.00000
     12      13.3537      0.00000

 k-point   223 :      -0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.7461      2.00000
      2       0.7380      2.00000
      3       2.0144      2.00000
      4       3.9820      2.00000
      5       6.2085      1.25941
      6       8.0101      0.00000
      7       8.5772      0.00000
      8       9.8283      0.00000
      9      10.3152      0.00000
     10      11.5774      0.00000
     11      11.7048      0.00000
     12      12.1622      0.00000

 k-point   224 :      -0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0711      2.00000
      2       0.4308      2.00000
      3       2.9582      2.00000
      4       4.7640      2.00000
      5       5.8943      1.95045
      6       7.6946      0.00000
      7       8.2177      0.00000
      8       9.8336      0.00000
      9      10.7777      0.00000
     10      10.9248      0.00000
     11      12.3271      0.00000
     12      12.6025      0.00000

 k-point   225 :      -0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.3024      2.00000
      2       0.1852      2.00000
      3       3.9862      2.00000
      4       5.6414      1.99596
      5       5.6737      1.99442
      6       7.4401      0.00002
      7       7.9420      0.00000
      8       8.8218      0.00000
      9      10.2265      0.00000
     10      11.8289      0.00000
     11      12.5765      0.00000
     12      12.9717      0.00000

 k-point   226 :      -0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4350      2.00000
      2       0.0202      2.00000
      3       5.0204      1.99999
      4       5.5496      1.99838
      5       6.5599      0.09635
      6       7.1576      0.00026
      7       7.7596      0.00000
      8       7.7942      0.00000
      9       9.6314      0.00000
     10      11.8005      0.00000
     11      12.9752      0.00000
     12      13.1274      0.00000

 k-point   227 :      -0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.4303      2.00000
      2       0.5543      2.00000
      3       0.7632      2.00000
      4       2.6439      2.00000
      5       7.4941      0.00001
      6       8.4928      0.00000
      7       8.7748      0.00000
      8       9.2183      0.00000
      9      10.0174      0.00000
     10      10.1406      0.00000
     11      10.2609      0.00000
     12      13.3400      0.00000

 k-point   228 :      -0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.9102      2.00000
      2       0.4294      2.00000
      3       1.3717      2.00000
      4       3.0119      2.00000
      5       7.0482      0.00077
      6       8.3068      0.00000
      7       8.7596      0.00000
      8       9.2852      0.00000
      9      10.0693      0.00000
     10      10.5318      0.00000
     11      10.8883      0.00000
     12      13.3912      0.00000

 k-point   229 :      -0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.3418      2.00000
      2       0.1129      2.00000
      3       2.2368      2.00000
      4       3.6424      2.00000
      5       6.6469      0.04152
      6       7.9025      0.00000
      7       8.3395      0.00000
      8       9.8573      0.00000
      9      10.0950      0.00000
     10      11.3224      0.00000
     11      11.6852      0.00000
     12      12.4831      0.00000

 k-point   230 :      -0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6850      2.00000
      2      -0.1768      2.00000
      3       3.2020      2.00000
      4       4.4228      2.00000
      5       6.3311      0.66553
      6       7.5518      0.00000
      7       7.9965      0.00000
      8       9.5211      0.00000
      9      11.0187      0.00000
     10      11.0564      0.00000
     11      12.2602      0.00000
     12      12.5543      0.00000

 k-point   231 :      -0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9302      2.00000
      2      -0.4011      2.00000
      3       4.2476      2.00000
      4       5.2985      1.99987
      5       6.1085      1.64418
      6       7.2870      0.00007
      7       7.7381      0.00000
      8       8.8853      0.00000
      9       9.8645      0.00000
     10      12.0429      0.00000
     11      12.1828      0.00000
     12      13.3126      0.00000

 k-point   232 :      -0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0738      2.00000
      2      -0.5460      2.00000
      3       5.3200      1.99984
      4       5.9812      1.88569
      5       6.2072      1.26507
      6       7.1173      0.00038
      7       7.5489      0.00001
      8       7.9080      0.00000
      9       8.9604      0.00000
     10      11.5376      0.00000
     11      13.1592      0.00000
     12      14.2110      0.00000

 k-point   233 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6403      2.00000
      3       4.3070      2.00000
      4       4.4589      2.00000
      5       5.6174      1.99682
      6       6.1565      1.48185
      7       7.8067      0.00000
      8      11.4532      0.00000
      9      11.6518      0.00000
     10      12.1820      0.00000
     11      12.2482      0.00000
     12      12.7294      0.00000

 k-point   234 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5266      2.00000
      2       3.5599      2.00000
      3       3.8323      2.00000
      4       4.4454      2.00000
      5       5.9503      1.91483
      6       6.5033      0.16376
      7       7.9581      0.00000
      8      10.8018      0.00000
      9      11.2833      0.00000
     10      11.7538      0.00000
     11      12.4920      0.00000
     12      12.9051      0.00000

 k-point   235 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3794      2.00000
      2       2.6425      2.00000
      3       3.8791      2.00000
      4       4.5830      2.00000
      5       6.1644      1.45074
      6       7.1343      0.00032
      7       8.6193      0.00000
      8       9.7930      0.00000
      9      10.3089      0.00000
     10      11.8198      0.00000
     11      12.0117      0.00000
     12      12.9039      0.00000

 k-point   236 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.1375      2.00000
      2       1.6589      2.00000
      3       4.1129      2.00000
      4       4.8169      2.00000
      5       6.4142      0.35700
      6       7.4383      0.00002
      7       8.7958      0.00000
      8       9.3053      0.00000
      9       9.9271      0.00000
     10      11.1249      0.00000
     11      12.0592      0.00000
     12      12.5565      0.00000

 k-point   237 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.8090      2.00000
      2       0.7576      2.00000
      3       4.4413      2.00000
      4       5.1409      1.99997
      5       6.7072      0.02294
      6       7.5846      0.00000
      7       7.9802      0.00000
      8       8.4746      0.00000
      9      10.2478      0.00000
     10      11.3355      0.00000
     11      12.1049      0.00000
     12      12.4270      0.00000

 k-point   238 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.4186      2.00000
      2      -0.0192      2.00000
      3       4.8453      2.00000
      4       5.5434      1.99848
      5       6.7675      0.01261
      6       7.3196      0.00005
      7       7.7252      0.00000
      8       7.9600      0.00000
      9       9.4390      0.00000
     10      11.6511      0.00000
     11      12.6526      0.00000
     12      13.1780      0.00000

 k-point   239 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.0658      2.00000
      2      -0.5663      2.00000
      3       5.2467      1.99992
      4       5.9579      1.90836
      5       6.3442      0.60869
      6       6.8958      0.00351
      7       7.8027      0.00000
      8       8.1319      0.00000
      9       8.7364      0.00000
     10      11.4760      0.00000
     11      13.0491      0.00000
     12      13.9804      0.00000

 k-point   240 :      -0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0255      2.00000
      2      -0.5061      2.00000
      3       5.2720      1.99990
      4       5.3898      1.99967
      5       6.0659      1.75225
      6       6.7531      0.01455
      7       8.1586      0.00000
      8       8.3290      0.00000
      9       9.3104      0.00000
     10      11.6587      0.00000
     11      12.4132      0.00000
     12      13.7944      0.00000

 k-point   241 :      -0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3868      2.00000
      2       0.0595      2.00000
      3       4.8640      2.00000
      4       5.0862      1.99998
      5       6.6054      0.06222
      6       7.1258      0.00035
      7       7.6967      0.00000
      8       8.2795      0.00000
      9      10.0545      0.00000
     10      11.8829      0.00000
     11      12.2507      0.00000
     12      13.1213      0.00000

 k-point   242 :      -0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7762      2.00000
      2       0.8448      2.00000
      3       4.4348      2.00000
      4       4.7065      2.00000
      5       7.1374      0.00031
      6       7.3247      0.00005
      7       7.7191      0.00000
      8       8.4336      0.00000
      9      10.8681      0.00000
     10      11.3741      0.00000
     11      11.8045      0.00000
     12      12.5737      0.00000

 k-point   243 :      -0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.1012      2.00000
      2       1.7514      2.00000
      3       4.0804      2.00000
      4       4.3801      2.00000
      5       6.8642      0.00482
      6       7.5364      0.00001
      7       8.3321      0.00000
      8       9.0374      0.00000
      9       9.9498      0.00000
     10      11.4892      0.00000
     11      11.7597      0.00000
     12      13.0688      0.00000

 k-point   244 :      -0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3390      2.00000
      2       2.7379      2.00000
      3       3.8170      2.00000
      4       4.1375      2.00000
      5       6.6497      0.04042
      6       7.2677      0.00009
      7       8.5890      0.00000
      8       9.2984      0.00000
      9      10.0297      0.00000
     10      11.2643      0.00000
     11      12.5530      0.00000
     12      13.2673      0.00000

 k-point   245 :      -0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4818      2.00000
      2       3.6120      2.00000
      3       3.7276      2.00000
      4       4.0333      2.00000
      5       6.5210      0.13895
      6       6.5348      0.12223
      7       8.0578      0.00000
      8      10.2478      0.00000
      9      10.8431      0.00000
     10      11.2588      0.00000
     11      12.8057      0.00000
     12      13.3284      0.00000

 k-point   246 :      -0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8817      2.00000
      2      -0.3603      2.00000
      3       4.3037      2.00000
      4       5.2390      1.99993
      5       5.4714      1.99926
      6       6.8448      0.00584
      7       8.4986      0.00000
      8       9.2595      0.00000
      9      10.0990      0.00000
     10      11.3607      0.00000
     11      12.0985      0.00000
     12      13.0143      0.00000

 k-point   247 :      -0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2540      2.00000
      2       0.2254      2.00000
      3       4.0344      2.00000
      4       4.9770      1.99999
      5       5.7515      1.98788
      6       7.3773      0.00003
      7       8.1319      0.00000
      8       9.1128      0.00000
      9      10.6312      0.00000
     10      11.1541      0.00000
     11      12.5898      0.00000
     12      12.9883      0.00000

 k-point   248 :      -0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6436      2.00000
      2       1.0180      2.00000
      3       3.6232      2.00000
      4       4.6275      2.00000
      5       6.4049      0.38504
      6       7.7545      0.00000
      7       8.0914      0.00000
      8       8.9862      0.00000
      9      10.7242      0.00000
     10      11.2617      0.00000
     11      11.6533      0.00000
     12      13.2613      0.00000

 k-point   249 :      -0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9660      2.00000
      2       1.9221      2.00000
      3       3.2647      2.00000
      4       4.3314      2.00000
      5       7.0487      0.00076
      6       7.6177      0.00000
      7       8.4640      0.00000
      8       9.2027      0.00000
      9       9.9271      0.00000
     10      10.6135      0.00000
     11      12.1075      0.00000
     12      13.2584      0.00000

 k-point   250 :      -0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.2001      2.00000
      2       2.7917      2.00000
      3       3.0970      2.00000
      4       4.1221      2.00000
      5       7.0533      0.00073
      6       8.0084      0.00000
      7       8.2134      0.00000
      8       9.0061      0.00000
      9       9.9507      0.00000
     10      10.5099      0.00000
     11      12.6493      0.00000
     12      13.1692      0.00000

 k-point   251 :      -0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3387      2.00000
      2       2.7478      2.00000
      3       3.8121      2.00000
      4       4.1309      2.00000
      5       6.6390      0.04488
      6       7.2691      0.00008
      7       8.6008      0.00000
      8       9.2990      0.00000
      9      10.0366      0.00000
     10      11.2542      0.00000
     11      12.5587      0.00000
     12      13.2532      0.00000

 k-point   252 :      -0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6360      2.00000
      2      -0.1342      2.00000
      3       3.2574      2.00000
      4       4.4311      2.00000
      5       5.6668      1.99479
      6       7.0647      0.00065
      7       8.7557      0.00000
      8      10.0563      0.00000
      9      10.3537      0.00000
     10      11.1054      0.00000
     11      11.8057      0.00000
     12      13.2897      0.00000

 k-point   253 :      -0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.0221      2.00000
      2       0.4728      2.00000
      3       3.0091      2.00000
      4       4.7250      2.00000
      5       5.3488      1.99978
      6       7.6436      0.00000
      7       8.4179      0.00000
      8      10.1060      0.00000
      9      10.3104      0.00000
     10      11.1466      0.00000
     11      12.1197      0.00000
     12      12.9646      0.00000

 k-point   254 :      -0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.4136      2.00000
      2       1.2637      2.00000
      3       2.6353      2.00000
      4       4.7911      2.00000
      5       5.5740      1.99794
      6       8.0208      0.00000
      7       8.4514      0.00000
      8       9.7586      0.00000
      9      10.2021      0.00000
     10      11.5258      0.00000
     11      11.7417      0.00000
     12      12.6602      0.00000

 k-point   255 :      -0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7344      2.00000
      2       2.0105      2.00000
      3       2.4570      2.00000
      4       4.5326      2.00000
      5       6.3159      0.73479
      6       7.7560      0.00000
      7       9.1459      0.00000
      8       9.4964      0.00000
      9       9.7544      0.00000
     10      10.5478      0.00000
     11      12.1241      0.00000
     12      12.8334      0.00000

 k-point   256 :      -0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9655      2.00000
      2       1.9298      2.00000
      3       3.2558      2.00000
      4       4.3317      2.00000
      5       7.0477      0.00077
      6       7.6143      0.00000
      7       8.4546      0.00000
      8       9.2094      0.00000
      9       9.9376      0.00000
     10      10.6110      0.00000
     11      12.1124      0.00000
     12      13.2485      0.00000

 k-point   257 :      -0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1004      2.00000
      2       1.7597      2.00000
      3       4.0772      2.00000
      4       4.3727      2.00000
      5       6.8535      0.00536
      6       7.5327      0.00001
      7       8.3315      0.00000
      8       9.0450      0.00000
      9       9.9677      0.00000
     10      11.4801      0.00000
     11      11.7611      0.00000
     12      13.0642      0.00000

 k-point   258 :      -0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2923      2.00000
      2       0.1581      2.00000
      3       2.2910      2.00000
      4       3.6630      2.00000
      5       5.9868      1.87957
      6       7.3670      0.00003
      7       9.0796      0.00000
      8       9.4372      0.00000
      9      10.3567      0.00000
     10      11.0441      0.00000
     11      12.4219      0.00000
     12      12.6157      0.00000

 k-point   259 :      -0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6963      2.00000
      2       0.7831      2.00000
      3       2.0648      2.00000
      4       3.9970      2.00000
      5       5.6032      1.99724
      6       7.9745      0.00000
      7       8.7262      0.00000
      8       9.2090      0.00000
      9      10.9291      0.00000
     10      11.2722      0.00000
     11      12.2186      0.00000
     12      12.3705      0.00000

 k-point   260 :      -0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0921      2.00000
      2       1.4158      2.00000
      3       1.8867      2.00000
      4       4.5890      2.00000
      5       5.2842      1.99989
      6       8.3359      0.00000
      7       8.6239      0.00000
      8       9.0264      0.00000
      9      11.3250      0.00000
     10      11.7632      0.00000
     11      11.8183      0.00000
     12      11.8835      0.00000

 k-point   261 :      -0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.4128      2.00000
      2       1.2691      2.00000
      3       2.6288      2.00000
      4       4.7915      2.00000
      5       5.5726      1.99797
      6       8.0217      0.00000
      7       8.4552      0.00000
      8       9.7525      0.00000
      9      10.1863      0.00000
     10      11.5411      0.00000
     11      11.7487      0.00000
     12      12.6561      0.00000

 k-point   262 :      -0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6423      2.00000
      2       1.0242      2.00000
      3       3.6147      2.00000
      4       4.6285      2.00000
      5       6.4019      0.39467
      6       7.7538      0.00000
      7       8.0923      0.00000
      8       8.9759      0.00000
      9      10.7179      0.00000
     10      11.2719      0.00000
     11      11.6673      0.00000
     12      13.2511      0.00000

 k-point   263 :      -0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7745      2.00000
      2       0.8513      2.00000
      3       4.4336      2.00000
      4       4.6986      2.00000
      5       7.1288      0.00034
      6       7.3166      0.00005
      7       7.7228      0.00000
      8       8.4337      0.00000
      9      10.8683      0.00000
     10      11.3955      0.00000
     11      11.7958      0.00000
     12      12.5695      0.00000

 k-point   264 :      -0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.8598      2.00000
      2       0.4782      2.00000
      3       1.4247      2.00000
      4       3.0343      2.00000
      5       6.3928      0.42427
      6       7.7044      0.00000
      7       8.6029      0.00000
      8       9.4893      0.00000
      9      10.1142      0.00000
     10      10.8902      0.00000
     11      11.6461      0.00000
     12      13.7787      0.00000

 k-point   265 :      -0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.2900      2.00000
      2       1.0163      2.00000
      3       1.3296      2.00000
      4       3.3733      2.00000
      5       5.9813      1.88568
      6       8.2513      0.00000
      7       8.4734      0.00000
      8       9.0925      0.00000
      9      10.5209      0.00000
     10      11.2201      0.00000
     11      11.7162      0.00000
     12      13.6075      0.00000

 k-point   266 :      -0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6952      2.00000
      2       0.7862      2.00000
      3       2.0609      2.00000
      4       3.9954      2.00000
      5       5.6042      1.99721
      6       7.9772      0.00000
      7       8.7270      0.00000
      8       9.2057      0.00000
      9      10.9301      0.00000
     10      11.2677      0.00000
     11      12.2066      0.00000
     12      12.3641      0.00000

 k-point   267 :      -0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.0203      2.00000
      2       0.4767      2.00000
      3       3.0034      2.00000
      4       4.7223      2.00000
      5       5.3499      1.99978
      6       7.6470      0.00000
      7       8.4191      0.00000
      8      10.1013      0.00000
      9      10.2988      0.00000
     10      11.1411      0.00000
     11      12.1161      0.00000
     12      12.9673      0.00000

 k-point   268 :      -0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2515      2.00000
      2       0.2299      2.00000
      3       4.0268      2.00000
      4       4.9786      1.99999
      5       5.7474      1.98837
      6       7.3806      0.00003
      7       8.1316      0.00000
      8       9.1000      0.00000
      9      10.6298      0.00000
     10      11.1473      0.00000
     11      12.5803      0.00000
     12      13.0024      0.00000

 k-point   269 :      -0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3841      2.00000
      2       0.0642      2.00000
      3       4.8653      2.00000
      4       5.0779      1.99999
      5       6.6008      0.06507
      6       7.1237      0.00036
      7       7.6909      0.00000
      8       8.2768      0.00000
      9      10.0511      0.00000
     10      11.8778      0.00000
     11      12.2447      0.00000
     12      13.1447      0.00000

 k-point   270 :      -0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3784      2.00000
      2       0.6057      2.00000
      3       0.8158      2.00000
      4       2.6644      2.00000
      5       6.8427      0.00597
      6       7.8266      0.00000
      7       8.0636      0.00000
      8       9.6853      0.00000
      9      10.0121      0.00000
     10      10.9043      0.00000
     11      11.0557      0.00000
     12      13.7196      0.00000

 k-point   271 :      -0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.8584      2.00000
      2       0.4788      2.00000
      3       1.4234      2.00000
      4       3.0330      2.00000
      5       6.3942      0.41961
      6       7.7044      0.00000
      7       8.6023      0.00000
      8       9.4905      0.00000
      9      10.1134      0.00000
     10      10.8891      0.00000
     11      11.6452      0.00000
     12      13.7712      0.00000

 k-point   272 :      -0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2899      2.00000
      2       0.1596      2.00000
      3       2.2881      2.00000
      4       3.6600      2.00000
      5       5.9892      1.87682
      6       7.3680      0.00003
      7       9.0817      0.00000
      8       9.4351      0.00000
      9      10.3564      0.00000
     10      11.0398      0.00000
     11      12.4176      0.00000
     12      12.5973      0.00000

 k-point   273 :      -0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.6328      2.00000
      2      -0.1319      2.00000
      3       3.2528      2.00000
      4       4.4264      2.00000
      5       5.6699      1.99462
      6       7.0663      0.00064
      7       8.7586      0.00000
      8      10.0532      0.00000
      9      10.3500      0.00000
     10      11.0894      0.00000
     11      11.7986      0.00000
     12      13.2845      0.00000

 k-point   274 :      -0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8779      2.00000
      2      -0.3575      2.00000
      3       4.2973      2.00000
      4       5.2346      1.99993
      5       5.4735      1.99924
      6       6.8462      0.00576
      7       8.5016      0.00000
      8       9.2483      0.00000
      9      10.0910      0.00000
     10      11.3552      0.00000
     11      12.0878      0.00000
     12      13.0076      0.00000

 k-point   275 :      -0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0213      2.00000
      2      -0.5030      2.00000
      3       5.2747      1.99990
      4       5.3828      1.99969
      5       6.0616      1.76159
      6       6.7507      0.01490
      7       8.1471      0.00000
      8       8.3306      0.00000
      9       9.3042      0.00000
     10      11.6534      0.00000
     11      12.4061      0.00000
     12      13.7859      0.00000

 k-point   276 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.4290      2.00000
      2       2.6117      2.00000
      3       4.4508      2.00000
      4       4.6078      2.00000
      5       5.7757      1.98459
      6       6.7663      0.01277
      7       8.5719      0.00000
      8      10.4120      0.00000
      9      10.5119      0.00000
     10      11.4187      0.00000
     11      12.3111      0.00000
     12      12.7104      0.00000

 k-point   277 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3795      2.00000
      2       2.6442      2.00000
      3       3.8727      2.00000
      4       4.5921      2.00000
      5       6.1625      1.45827
      6       7.1345      0.00032
      7       8.6205      0.00000
      8       9.8224      0.00000
      9      10.5117      0.00000
     10      11.4741      0.00000
     11      11.8767      0.00000
     12      13.0544      0.00000

 k-point   278 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2319      2.00000
      2       2.5789      2.00000
      3       3.0685      2.00000
      4       4.7293      2.00000
      5       6.4306      0.31142
      6       8.0448      0.00000
      7       8.6516      0.00000
      8       9.1465      0.00000
      9      10.3738      0.00000
     10      10.7552      0.00000
     11      12.0065      0.00000
     12      12.7213      0.00000

 k-point   279 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.9893      2.00000
      2       1.7686      2.00000
      3       3.1252      2.00000
      4       4.9629      2.00000
      5       6.5915      0.07119
      6       7.9122      0.00000
      7       8.5919      0.00000
      8       9.4345      0.00000
      9      10.0456      0.00000
     10      10.9297      0.00000
     11      11.5212      0.00000
     12      12.6616      0.00000

 k-point   280 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.6595      2.00000
      2       0.8845      2.00000
      3       3.4279      2.00000
      4       5.2867      1.99988
      5       6.4705      0.22033
      6       7.4640      0.00001
      7       8.5591      0.00000
      8       8.8612      0.00000
      9      10.7800      0.00000
     10      11.1464      0.00000
     11      11.5953      0.00000
     12      12.5511      0.00000

 k-point   281 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.2664      2.00000
      2       0.1104      2.00000
      3       3.8118      2.00000
      4       5.6877      1.99358
      5       5.9185      1.93731
      6       7.4387      0.00002
      7       7.9747      0.00000
      8       8.9862      0.00000
      9      10.1915      0.00000
     10      11.5698      0.00000
     11      12.2430      0.00000
     12      12.8679      0.00000

 k-point   282 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.9085      2.00000
      2      -0.4400      2.00000
      3       4.1803      2.00000
      4       5.4030      1.99963
      5       6.1095      1.64121
      6       7.0452      0.00079
      7       8.0118      0.00000
      8       9.0013      0.00000
      9       9.8470      0.00000
     10      11.8635      0.00000
     11      12.0883      0.00000
     12      13.0390      0.00000

 k-point   283 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3794      2.00000
      2       2.6446      2.00000
      3       3.8836      2.00000
      4       4.5793      2.00000
      5       6.1536      1.49284
      6       7.1447      0.00029
      7       8.6217      0.00000
      8       9.8320      0.00000
      9      10.5003      0.00000
     10      11.4715      0.00000
     11      11.8723      0.00000
     12      13.0522      0.00000

 k-point   284 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3253      2.00000
      2       2.6819      2.00000
      3       3.6643      2.00000
      4       4.1633      2.00000
      5       6.7494      0.01510
      6       7.3461      0.00004
      7       8.6658      0.00000
      8       9.6300      0.00000
      9      10.1320      0.00000
     10      11.6363      0.00000
     11      12.1429      0.00000
     12      12.6058      0.00000

 k-point   285 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1730      2.00000
      2       2.6052      2.00000
      3       3.0262      2.00000
      4       4.1137      2.00000
      5       7.1750      0.00022
      6       8.1153      0.00000
      7       8.6799      0.00000
      8       9.1113      0.00000
      9      10.0308      0.00000
     10      10.6910      0.00000
     11      12.0853      0.00000
     12      13.0089      0.00000

 k-point   286 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9258      2.00000
      2       1.7651      2.00000
      3       3.1445      2.00000
      4       4.2776      2.00000
      5       7.2409      0.00011
      6       8.0795      0.00000
      7       8.6026      0.00000
      8       9.5055      0.00000
      9       9.7979      0.00000
     10      10.6172      0.00000
     11      11.5638      0.00000
     12      13.2262      0.00000

 k-point   287 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.5918      2.00000
      2       0.8867      2.00000
      3       3.4614      2.00000
      4       4.5380      2.00000
      5       6.7107      0.02215
      6       8.1236      0.00000
      7       8.3163      0.00000
      8       9.1372      0.00000
      9      10.3144      0.00000
     10      10.8368      0.00000
     11      11.8250      0.00000
     12      12.8347      0.00000

 k-point   288 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.1961      2.00000
      2       0.1207      2.00000
      3       3.8577      2.00000
      4       4.8635      2.00000
      5       6.0244      1.82931
      6       7.5809      0.00000
      7       8.4690      0.00000
      8       9.2327      0.00000
      9      10.2129      0.00000
     10      10.7493      0.00000
     11      12.3544      0.00000
     12      13.3065      0.00000

 k-point   289 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8444      2.00000
      2      -0.4131      2.00000
      3       4.2354      2.00000
      4       5.1616      1.99997
      5       5.5450      1.99846
      6       6.9563      0.00192
      7       8.6445      0.00000
      8       9.4332      0.00000
      9       9.8710      0.00000
     10      11.1070      0.00000
     11      12.0782      0.00000
     12      13.1406      0.00000

 k-point   290 :      -0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8685      2.00000
      2      -0.3790      2.00000
      3       4.2187      2.00000
      4       5.3586      1.99976
      5       5.5439      1.99847
      6       6.6894      0.02736
      7       8.4367      0.00000
      8       9.4768      0.00000
      9      10.1141      0.00000
     10      11.3547      0.00000
     11      11.9763      0.00000
     12      12.9418      0.00000

 k-point   291 :      -0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.2348      2.00000
      2       0.1896      2.00000
      3       3.8406      2.00000
      4       5.1818      1.99996
      5       6.0454      1.79349
      6       6.9882      0.00140
      7       8.1155      0.00000
      8       9.2878      0.00000
      9      10.7902      0.00000
     10      11.1280      0.00000
     11      12.3408      0.00000
     12      13.0216      0.00000

 k-point   292 :      -0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.6267      2.00000
      2       0.9720      2.00000
      3       3.4538      2.00000
      4       4.8062      2.00000
      5       6.7581      0.01385
      6       7.4681      0.00001
      7       7.9743      0.00000
      8       9.0752      0.00000
      9      10.7417      0.00000
     10      11.5146      0.00000
     11      11.6193      0.00000
     12      12.8470      0.00000

 k-point   293 :      -0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9530      2.00000
      2       1.8610      2.00000
      3       3.1494      2.00000
      4       4.4662      2.00000
      5       7.1366      0.00032
      6       7.9326      0.00000
      7       8.3474      0.00000
      8       8.9276      0.00000
      9       9.9938      0.00000
     10      10.5875      0.00000
     11      12.3825      0.00000
     12      13.0727      0.00000

 k-point   294 :      -0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1914      2.00000
      2       2.6505      2.00000
      3       3.1125      2.00000
      4       4.2031      2.00000
      5       7.0332      0.00089
      6       8.0543      0.00000
      7       8.7234      0.00000
      8       8.9774      0.00000
      9       9.5736      0.00000
     10      10.3947      0.00000
     11      12.6272      0.00000
     12      13.4241      0.00000

 k-point   295 :      -0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3345      2.00000
      2       2.6785      2.00000
      3       3.8805      2.00000
      4       4.0895      2.00000
      5       6.6834      0.02901
      6       7.2617      0.00009
      7       8.6641      0.00000
      8       9.7859      0.00000
      9       9.9153      0.00000
     10      10.7462      0.00000
     11      12.2518      0.00000
     12      13.2320      0.00000

 k-point   296 :      -0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7251      2.00000
      2      -0.2310      2.00000
      3       4.3374      2.00000
      4       4.4642      2.00000
      5       5.0992      1.99998
      6       6.2921      0.84851
      7       9.5941      0.00000
      8       9.8144      0.00000
      9      10.3344      0.00000
     10      10.8425      0.00000
     11      11.5688      0.00000
     12      12.9975      0.00000

 k-point   297 :      -0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.1021      2.00000
      2       0.3576      2.00000
      3       3.9142      2.00000
      4       4.2173      2.00000
      5       5.6938      1.99318
      6       6.6595      0.03671
      7       9.1297      0.00000
      8       9.6218      0.00000
      9      10.1181      0.00000
     10      11.5537      0.00000
     11      11.9735      0.00000
     12      13.0677      0.00000

 k-point   298 :      -0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4940      2.00000
      2       1.1480      2.00000
      3       3.4697      2.00000
      4       3.9061      2.00000
      5       6.4719      0.21747
      6       7.2825      0.00007
      7       8.7388      0.00000
      8       9.3592      0.00000
      9       9.7910      0.00000
     10      11.6581      0.00000
     11      12.3333      0.00000
     12      12.7373      0.00000

 k-point   299 :      -0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8176      2.00000
      2       2.0398      2.00000
      3       3.1078      2.00000
      4       3.6366      2.00000
      5       7.3342      0.00004
      6       7.9959      0.00000
      7       8.4683      0.00000
      8       9.0442      0.00000
      9       9.3626      0.00000
     10      10.4525      0.00000
     11      13.0651      0.00000
     12      13.5444      0.00000

 k-point   300 :      -0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0522      2.00000
      2       2.7943      2.00000
      3       2.9470      2.00000
      4       3.5422      2.00000
      5       8.0869      0.00000
      6       8.1301      0.00000
      7       8.3650      0.00000
      8       8.8994      0.00000
      9       8.9292      0.00000
     10      10.0663      0.00000
     11      13.1998      0.00000
     12      13.7781      0.00000

 k-point   301 :      -0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1911      2.00000
      2       2.6557      2.00000
      3       3.1167      2.00000
      4       4.1923      2.00000
      5       7.0183      0.00103
      6       8.0660      0.00000
      7       8.7331      0.00000
      8       8.9806      0.00000
      9       9.5699      0.00000
     10      10.3881      0.00000
     11      12.6164      0.00000
     12      13.4250      0.00000

 k-point   302 :      -0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4800      2.00000
      2      -0.0011      2.00000
      3       3.4091      2.00000
      4       4.3606      2.00000
      5       4.6788      2.00000
      6       6.2768      0.92386
      7       9.3008      0.00000
      8      10.0680      0.00000
      9      10.7477      0.00000
     10      10.9249      0.00000
     11      11.7198      0.00000
     12      13.7452      0.00000

 k-point   303 :      -0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8703      2.00000
      2       0.6089      2.00000
      3       3.1378      2.00000
      4       4.1342      2.00000
      5       4.9938      1.99999
      6       6.7693      0.01240
      7       9.1259      0.00000
      8       9.6607      0.00000
      9      10.6487      0.00000
     10      11.1846      0.00000
     11      12.1880      0.00000
     12      13.4828      0.00000

 k-point   304 :      -0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2637      2.00000
      2       1.4008      2.00000
      3       2.7380      2.00000
      4       3.8391      2.00000
      5       5.6620      1.99504
      6       7.4630      0.00001
      7       8.7952      0.00000
      8       9.2968      0.00000
      9      10.4225      0.00000
     10      11.5737      0.00000
     11      12.1322      0.00000
     12      12.8334      0.00000

 k-point   305 :      -0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5854      2.00000
      2       2.1668      2.00000
      3       2.5048      2.00000
      4       3.5946      2.00000
      5       6.4713      0.21878
      6       8.1110      0.00000
      7       8.6324      0.00000
      8       8.9763      0.00000
      9       9.8910      0.00000
     10      10.7365      0.00000
     11      12.6804      0.00000
     12      13.2463      0.00000

 k-point   306 :      -0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.8170      2.00000
      2       2.0476      2.00000
      3       3.1037      2.00000
      4       3.6320      2.00000
      5       7.3336      0.00004
      6       7.9961      0.00000
      7       8.4604      0.00000
      8       9.0420      0.00000
      9       9.3626      0.00000
     10      10.4632      0.00000
     11      13.0692      0.00000
     12      13.5420      0.00000

 k-point   307 :      -0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9521      2.00000
      2       1.8692      2.00000
      3       3.1497      2.00000
      4       4.4555      2.00000
      5       7.1248      0.00036
      6       7.9344      0.00000
      7       8.3466      0.00000
      8       8.9312      0.00000
      9      10.0044      0.00000
     10      10.5833      0.00000
     11      12.3762      0.00000
     12      13.0618      0.00000

 k-point   308 :      -0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.1368      2.00000
      2       0.2969      2.00000
      3       2.4446      2.00000
      4       3.7031      2.00000
      5       4.9481      2.00000
      6       6.4659      0.22947
      7       8.3795      0.00000
      8       9.9982      0.00000
      9      10.4654      0.00000
     10      11.7473      0.00000
     11      12.8017      0.00000
     12      13.7124      0.00000

 k-point   309 :      -0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.5442      2.00000
      2       0.9261      2.00000
      3       2.2023      2.00000
      4       3.9732      2.00000
      5       4.6928      2.00000
      6       7.0115      0.00111
      7       8.2244      0.00000
      8       9.9084      0.00000
      9      10.4762      0.00000
     10      12.0356      0.00000
     11      12.6962      0.00000
     12      13.3918      0.00000

 k-point   310 :      -0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.9415      2.00000
      2       1.5728      2.00000
      3       1.9948      2.00000
      4       4.0457      2.00000
      5       4.9342      2.00000
      6       7.5567      0.00000
      7       8.1267      0.00000
      8       9.6146      0.00000
      9      10.9644      0.00000
     10      11.7029      0.00000
     11      12.3696      0.00000
     12      12.9177      0.00000

 k-point   311 :      -0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2630      2.00000
      2       1.4063      2.00000
      3       2.7316      2.00000
      4       3.8396      2.00000
      5       5.6606      1.99510
      6       7.4669      0.00001
      7       8.7898      0.00000
      8       9.2956      0.00000
      9      10.4064      0.00000
     10      11.5843      0.00000
     11      12.1421      0.00000
     12      12.8356      0.00000

 k-point   312 :      -0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4927      2.00000
      2       1.1542      2.00000
      3       3.4673      2.00000
      4       3.9011      2.00000
      5       6.4704      0.22050
      6       7.2848      0.00007
      7       8.7272      0.00000
      8       9.3548      0.00000
      9       9.7849      0.00000
     10      11.6799      0.00000
     11      12.3347      0.00000
     12      12.7327      0.00000

 k-point   313 :      -0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6250      2.00000
      2       0.9786      2.00000
      3       3.4548      2.00000
      4       4.7963      2.00000
      5       6.7600      0.01360
      6       7.4578      0.00001
      7       7.9676      0.00000
      8       9.0763      0.00000
      9      10.7332      0.00000
     10      11.5267      0.00000
     11      11.6228      0.00000
     12      12.8451      0.00000

 k-point   314 :      -0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.7048      2.00000
      2       0.6255      2.00000
      3       1.5797      2.00000
      4       3.0932      2.00000
      5       5.3518      1.99978
      6       6.7124      0.02179
      7       7.5538      0.00000
      8       9.4537      0.00000
      9      10.8496      0.00000
     10      12.1094      0.00000
     11      12.9410      0.00000
     12      14.2665      0.00000

 k-point   315 :      -0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.1372      2.00000
      2       1.1738      2.00000
      3       1.4651      2.00000
      4       3.4269      2.00000
      5       4.9794      1.99999
      6       7.1793      0.00021
      7       7.5360      0.00001
      8       9.6976      0.00000
      9      10.5044      0.00000
     10      12.5141      0.00000
     11      12.9059      0.00000
     12      13.7627      0.00000

 k-point   316 :      -0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.5432      2.00000
      2       0.9293      2.00000
      3       2.1984      2.00000
      4       3.9720      2.00000
      5       4.6934      2.00000
      6       7.0137      0.00108
      7       8.2214      0.00000
      8       9.9087      0.00000
      9      10.4748      0.00000
     10      12.0248      0.00000
     11      12.6896      0.00000
     12      13.3967      0.00000

 k-point   317 :      -0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8684      2.00000
      2       0.6129      2.00000
      3       3.1321      2.00000
      4       4.1353      2.00000
      5       4.9917      1.99999
      6       6.7717      0.01210
      7       9.1209      0.00000
      8       9.6611      0.00000
      9      10.6317      0.00000
     10      11.1823      0.00000
     11      12.1875      0.00000
     12      13.5064      0.00000

 k-point   318 :      -0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0997      2.00000
      2       0.3622      2.00000
      3       3.9142      2.00000
      4       4.2119      2.00000
      5       5.6915      1.99334
      6       6.6599      0.03657
      7       9.1173      0.00000
      8       9.6192      0.00000
      9      10.1114      0.00000
     10      11.5521      0.00000
     11      11.9668      0.00000
     12      13.0777      0.00000

 k-point   319 :      -0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2321      2.00000
      2       0.1945      2.00000
      3       3.8429      2.00000
      4       5.1735      1.99996
      5       6.0469      1.79078
      6       6.9810      0.00150
      7       8.1023      0.00000
      8       9.2885      0.00000
      9      10.7844      0.00000
     10      11.1199      0.00000
     11      12.3396      0.00000
     12      13.0376      0.00000

 k-point   320 :      -0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.2232      2.00000
      2       0.7594      2.00000
      3       0.9735      2.00000
      4       2.7230      2.00000
      5       5.8002      1.98036
      6       6.7813      0.01101
      7       6.9894      0.00138
      8       9.1370      0.00000
      9      11.2933      0.00000
     10      12.2062      0.00000
     11      12.3768      0.00000
     12      14.6298      0.00000

 k-point   321 :      -0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.7034      2.00000
      2       0.6261      2.00000
      3       1.5784      2.00000
      4       3.0919      2.00000
      5       5.3532      1.99977
      6       6.7123      0.02182
      7       7.5530      0.00000
      8       9.4525      0.00000
      9      10.8510      0.00000
     10      12.1085      0.00000
     11      12.9402      0.00000
     12      14.2455      0.00000

 k-point   322 :      -0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.1344      2.00000
      2       0.2985      2.00000
      3       2.4417      2.00000
      4       3.7002      2.00000
      5       4.9506      2.00000
      6       6.4664      0.22837
      7       8.3771      0.00000
      8       9.9958      0.00000
      9      10.4672      0.00000
     10      11.7442      0.00000
     11      12.7831      0.00000
     12      13.7097      0.00000

 k-point   323 :      -0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4768      2.00000
      2       0.0012      2.00000
      3       3.4045      2.00000
      4       4.3579      2.00000
      5       4.6807      2.00000
      6       6.2773      0.92138
      7       9.2968      0.00000
      8      10.0704      0.00000
      9      10.7432      0.00000
     10      10.9117      0.00000
     11      11.7112      0.00000
     12      13.7328      0.00000

 k-point   324 :      -0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7214      2.00000
      2      -0.2281      2.00000
      3       4.3402      2.00000
      4       4.4584      2.00000
      5       5.0965      1.99998
      6       6.2901      0.85850
      7       9.5791      0.00000
      8       9.8158      0.00000
      9      10.3289      0.00000
     10      10.8371      0.00000
     11      11.5606      0.00000
     12      12.9921      0.00000

 k-point   325 :      -0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8644      2.00000
      2      -0.3758      2.00000
      3       4.2226      2.00000
      4       5.3583      1.99976
      5       5.5366      1.99858
      6       6.6818      0.02948
      7       8.4226      0.00000
      8       9.4743      0.00000
      9      10.1115      0.00000
     10      11.3475      0.00000
     11      11.9725      0.00000
     12      12.9349      0.00000

 k-point   326 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1874      2.00000
      2       1.6187      2.00000
      3       4.6881      2.00000
      4       4.8553      2.00000
      5       6.0385      1.80588
      6       7.0542      0.00072
      7       9.3950      0.00000
      8       9.4652      0.00000
      9       9.8380      0.00000
     10      10.5389      0.00000
     11      12.3099      0.00000
     12      12.5317      0.00000

 k-point   327 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1377      2.00000
      2       1.6598      2.00000
      3       4.1059      2.00000
      4       4.8352      2.00000
      5       6.4068      0.37913
      6       7.4396      0.00002
      7       8.8237      0.00000
      8       9.4847      0.00000
      9       9.9019      0.00000
     10      10.9757      0.00000
     11      11.7296      0.00000
     12      12.5892      0.00000

 k-point   328 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9894      2.00000
      2       1.7695      2.00000
      3       3.1233      2.00000
      4       4.9716      2.00000
      5       6.5871      0.07428
      6       7.9199      0.00000
      7       8.5863      0.00000
      8       9.6184      0.00000
      9      10.0357      0.00000
     10      10.6638      0.00000
     11      11.4441      0.00000
     12      12.8098      0.00000

 k-point   329 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7454      2.00000
      2       1.7582      2.00000
      3       2.3741      2.00000
      4       5.2048      1.99995
      5       6.3679      0.51323
      6       7.4791      0.00001
      7       9.5896      0.00000
      8       9.7017      0.00000
      9       9.9753      0.00000
     10      10.4024      0.00000
     11      11.4404      0.00000
     12      12.5116      0.00000

 k-point   330 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.4131      2.00000
      2       1.0730      2.00000
      3       2.4667      2.00000
      4       5.5280      1.99870
      5       5.7143      1.99163
      6       7.5582      0.00000
      7       8.8118      0.00000
      8      10.0384      0.00000
      9      10.1915      0.00000
     10      11.2054      0.00000
     11      11.4789      0.00000
     12      12.6200      0.00000

 k-point   331 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.0151      2.00000
      2       0.3181      2.00000
      3       2.8108      2.00000
      4       5.0246      1.99999
      5       5.9301      1.92988
      6       7.6795      0.00000
      7       8.2112      0.00000
      8       9.8449      0.00000
      9      10.5547      0.00000
     10      11.1600      0.00000
     11      12.1422      0.00000
     12      12.8781      0.00000

 k-point   332 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.6477      2.00000
      2      -0.2359      2.00000
      3       3.1437      2.00000
      4       4.5146      2.00000
      5       6.3477      0.59403
      6       7.2903      0.00007
      7       8.2738      0.00000
      8       9.5253      0.00000
      9      10.9148      0.00000
     10      11.2603      0.00000
     11      12.0565      0.00000
     12      12.7370      0.00000

 k-point   333 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1376      2.00000
      2       1.6600      2.00000
      3       4.1171      2.00000
      4       4.8224      2.00000
      5       6.3978      0.40770
      6       7.4509      0.00001
      7       8.8332      0.00000
      8       9.4727      0.00000
      9       9.9013      0.00000
     10      10.9722      0.00000
     11      11.7299      0.00000
     12      12.5947      0.00000

 k-point   334 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0832      2.00000
      2       1.7047      2.00000
      3       3.9131      2.00000
      4       4.3796      2.00000
      5       6.9808      0.00150
      6       7.6301      0.00000
      7       8.6467      0.00000
      8       9.1302      0.00000
      9      10.0020      0.00000
     10      11.4723      0.00000
     11      11.8634      0.00000
     12      12.6584      0.00000

 k-point   335 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9302      2.00000
      2       1.8189      2.00000
      3       3.0809      2.00000
      4       4.3251      2.00000
      5       7.1986      0.00017
      6       8.0706      0.00000
      7       8.4472      0.00000
      8       9.2634      0.00000
      9      10.0578      0.00000
     10      10.9130      0.00000
     11      11.9115      0.00000
     12      12.6703      0.00000

 k-point   336 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.6816      2.00000
      2       1.7907      2.00000
      3       2.3775      2.00000
      4       4.4865      2.00000
      5       6.6069      0.06134
      6       8.0867      0.00000
      7       8.9682      0.00000
      8       9.5858      0.00000
      9      10.0300      0.00000
     10      10.7334      0.00000
     11      11.7374      0.00000
     12      12.7790      0.00000

 k-point   337 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3451      2.00000
      2       1.0806      2.00000
      3       2.5116      2.00000
      4       4.7307      2.00000
      5       5.8437      1.96981
      6       8.3792      0.00000
      7       8.6112      0.00000
      8       9.4276      0.00000
      9      10.2787      0.00000
     10      11.2809      0.00000
     11      11.9683      0.00000
     12      13.0239      0.00000

 k-point   338 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9445      2.00000
      2       0.3303      2.00000
      3       2.8661      2.00000
      4       4.8605      2.00000
      5       5.3438      1.99979
      6       7.8316      0.00000
      7       8.7308      0.00000
      8       9.7065      0.00000
      9      10.1850      0.00000
     10      11.1984      0.00000
     11      12.6017      0.00000
     12      13.1040      0.00000

 k-point   339 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.5833      2.00000
      2      -0.2081      2.00000
      3       3.2010      2.00000
      4       4.4991      2.00000
      5       5.5753      1.99791
      6       7.1755      0.00021
      7       8.9067      0.00000
      8       9.9096      0.00000
      9      10.2174      0.00000
     10      11.2928      0.00000
     11      11.9614      0.00000
     12      13.1335      0.00000

 k-point   340 :      -0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.6083      2.00000
      2      -0.1734      2.00000
      3       3.1841      2.00000
      4       4.5294      2.00000
      5       5.7793      1.98403
      6       6.8710      0.00450
      7       8.6994      0.00000
      8      10.2278      0.00000
      9      10.3480      0.00000
     10      11.3251      0.00000
     11      11.6973      0.00000
     12      12.9130      0.00000

 k-point   341 :      -0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9839      2.00000
      2       0.3982      2.00000
      3       2.8419      2.00000
      4       4.9733      1.99999
      5       5.6285      1.99645
      6       7.1900      0.00019
      7       8.3749      0.00000
      8      10.1206      0.00000
      9      10.4962      0.00000
     10      11.4348      0.00000
     11      12.0328      0.00000
     12      12.6136      0.00000

 k-point   342 :      -0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3804      2.00000
      2       1.1599      2.00000
      3       2.4976      2.00000
      4       4.9800      1.99999
      5       5.9690      1.89824
      6       7.7135      0.00000
      7       8.1949      0.00000
      8       9.7746      0.00000
      9      10.3531      0.00000
     10      11.6113      0.00000
     11      11.9410      0.00000
     12      12.5196      0.00000

 k-point   343 :      -0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.7091      2.00000
      2       1.8265      2.00000
      3       2.4292      2.00000
      4       4.6801      2.00000
      5       6.7146      0.02131
      6       7.7592      0.00000
      7       8.6965      0.00000
      8       9.4532      0.00000
      9       9.8162      0.00000
     10      10.5912      0.00000
     11      12.1291      0.00000
     12      13.0915      0.00000

 k-point   344 :      -0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9488      2.00000
      2       1.8097      2.00000
      3       3.2091      2.00000
      4       4.4233      2.00000
      5       7.1866      0.00019
      6       7.9984      0.00000
      7       8.5356      0.00000
      8       9.1046      0.00000
      9       9.6653      0.00000
     10      10.3610      0.00000
     11      11.9178      0.00000
     12      13.3259      0.00000

 k-point   345 :      -0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0926      2.00000
      2       1.6991      2.00000
      3       4.1350      2.00000
      4       4.2993      2.00000
      5       6.9336      0.00241
      6       7.5734      0.00000
      7       8.7712      0.00000
      8       9.0625      0.00000
      9       9.9318      0.00000
     10      10.8374      0.00000
     11      11.3958      0.00000
     12      12.7804      0.00000

 k-point   346 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9890      2.00000
      2       1.7705      2.00000
      3       3.1325      2.00000
      4       4.9589      2.00000
      5       6.5756      0.08295
      6       7.9277      0.00000
      7       8.6010      0.00000
      8       9.6073      0.00000
      9      10.0354      0.00000
     10      10.6602      0.00000
     11      11.4350      0.00000
     12      12.8072      0.00000

 k-point   347 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9299      2.00000
      2       1.8197      2.00000
      3       3.0890      2.00000
      4       4.3148      2.00000
      5       7.1926      0.00018
      6       8.0720      0.00000
      7       8.4516      0.00000
      8       9.2633      0.00000
      9      10.0584      0.00000
     10      10.9117      0.00000
     11      11.9008      0.00000
     12      12.6663      0.00000

 k-point   348 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7721      2.00000
      2       1.9479      2.00000
      3       2.8934      2.00000
      4       3.6069      2.00000
      5       7.4899      0.00001
      6       7.9526      0.00000
      7       8.7578      0.00000
      8       9.3693      0.00000
      9       9.5755      0.00000
     10      10.7507      0.00000
     11      12.6663      0.00000
     12      13.2213      0.00000

 k-point   349 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5186      2.00000
      2       1.9218      2.00000
      3       2.3920      2.00000
      4       3.5655      2.00000
      5       6.7604      0.01354
      6       7.9822      0.00000
      7       8.7926      0.00000
      8       9.2853      0.00000
      9      10.2038      0.00000
     10      11.0714      0.00000
     11      12.6012      0.00000
     12      13.5090      0.00000

 k-point   350 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.1771      2.00000
      2       1.1778      2.00000
      3       2.6106      2.00000
      4       3.7703      2.00000
      5       5.9379      1.92436
      6       7.6484      0.00000
      7       8.5429      0.00000
      8       9.6645      0.00000
      9      10.6891      0.00000
     10      12.0314      0.00000
     11      12.1296      0.00000
     12      12.8526      0.00000

 k-point   351 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.7724      2.00000
      2       0.4321      2.00000
      3       2.9955      2.00000
      4       4.0470      2.00000
      5       5.2176      1.99994
      6       6.9586      0.00188
      7       8.8033      0.00000
      8      10.0478      0.00000
      9      10.9113      0.00000
     10      11.4266      0.00000
     11      11.9398      0.00000
     12      13.6156      0.00000

 k-point   352 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4150      2.00000
      2      -0.0920      2.00000
      3       3.3547      2.00000
      4       4.2880      2.00000
      5       4.7525      2.00000
      6       6.3908      0.43088
      7       9.1220      0.00000
      8      10.2164      0.00000
      9      10.8763      0.00000
     10      11.2083      0.00000
     11      11.5141      0.00000
     12      13.5008      0.00000

 k-point   353 :      -0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4658      2.00000
      2      -0.0215      2.00000
      3       3.3204      2.00000
      4       4.4966      2.00000
      5       4.7286      2.00000
      6       6.1691      1.43208
      7       9.2980      0.00000
      8       9.8855      0.00000
      9      10.8318      0.00000
     10      11.1416      0.00000
     11      11.7638      0.00000
     12      13.5360      0.00000

 k-point   354 :      -0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.8514      2.00000
      2       0.5699      2.00000
      3       2.9561      2.00000
      4       4.3563      2.00000
      5       5.2605      1.99991
      6       6.4387      0.29064
      7       9.1299      0.00000
      8       9.5063      0.00000
      9      10.8248      0.00000
     10      11.2286      0.00000
     11      12.4071      0.00000
     12      13.3600      0.00000

 k-point   355 :      -0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.2475      2.00000
      2       1.3410      2.00000
      3       2.5970      2.00000
      4       4.0277      2.00000
      5       6.0471      1.79032
      6       7.0077      0.00115
      7       8.7802      0.00000
      8       9.2143      0.00000
      9      10.5587      0.00000
     10      11.5926      0.00000
     11      12.1393      0.00000
     12      13.0700      0.00000

 k-point   356 :      -0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5732      2.00000
      2       1.9942      2.00000
      3       2.5273      2.00000
      4       3.7236      2.00000
      5       6.9400      0.00226
      6       7.6691      0.00000
      7       8.4978      0.00000
      8       8.9655      0.00000
      9       9.9433      0.00000
     10      10.7962      0.00000
     11      12.6287      0.00000
     12      13.1870      0.00000

 k-point   357 :      -0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.8090      2.00000
      2       1.9302      2.00000
      3       3.2049      2.00000
      4       3.6182      2.00000
      5       7.7912      0.00000
      6       8.0038      0.00000
      7       8.4966      0.00000
      8       8.6596      0.00000
      9       9.1986      0.00000
     10      10.4803      0.00000
     11      12.7150      0.00000
     12      13.3845      0.00000

 k-point   358 :      -0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9485      2.00000
      2       1.8105      2.00000
      3       3.2181      2.00000
      4       4.4122      2.00000
      5       7.1756      0.00021
      6       8.0046      0.00000
      7       8.5468      0.00000
      8       9.0988      0.00000
      9       9.6635      0.00000
     10      10.3600      0.00000
     11      11.9084      0.00000
     12      13.3388      0.00000

 k-point   359 :      -0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.2216      2.00000
      2       0.2150      2.00000
      3       3.5396      2.00000
      4       3.6632      2.00000
      5       4.3142      2.00000
      6       5.6863      1.99367
      7       8.2947      0.00000
      8       9.9950      0.00000
      9      11.3031      0.00000
     10      11.5954      0.00000
     11      12.5969      0.00000
     12      14.1762      0.00000

 k-point   360 :      -0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.6196      2.00000
      2       0.8283      2.00000
      3       3.0947      2.00000
      4       3.4490      2.00000
      5       4.9362      2.00000
      6       6.0283      1.82310
      7       8.1542      0.00000
      8      10.1970      0.00000
      9      10.8524      0.00000
     10      11.4052      0.00000
     11      13.2620      0.00000
     12      13.7172      0.00000

 k-point   361 :      -0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0166      2.00000
      2       1.6092      2.00000
      3       2.6486      2.00000
      4       3.1858      2.00000
      5       5.7278      1.99043
      6       6.5895      0.07256
      7       7.9162      0.00000
      8      10.4426      0.00000
      9      10.6274      0.00000
     10      11.1485      0.00000
     11      12.3044      0.00000
     12      13.8726      0.00000

 k-point   362 :      -0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3401      2.00000
      2       2.2291      2.00000
      3       2.4268      2.00000
      4       3.0732      2.00000
      5       6.5813      0.07856
      6       7.0886      0.00051
      7       7.9257      0.00000
      8      10.1346      0.00000
      9      10.1657      0.00000
     10      10.9433      0.00000
     11      11.9932      0.00000
     12      13.8596      0.00000

 k-point   363 :      -0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5726      2.00000
      2       1.9983      2.00000
      3       2.5305      2.00000
      4       3.7156      2.00000
      5       6.9455      0.00214
      6       7.6659      0.00000
      7       8.4879      0.00000
      8       8.9531      0.00000
      9       9.9565      0.00000
     10      10.8021      0.00000
     11      12.6256      0.00000
     12      13.1765      0.00000

 k-point   364 :      -0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7082      2.00000
      2       1.8315      2.00000
      3       2.4330      2.00000
      4       4.6695      2.00000
      5       6.7174      0.02074
      6       7.7468      0.00000
      7       8.6920      0.00000
      8       9.4468      0.00000
      9       9.8279      0.00000
     10      10.5963      0.00000
     11      12.1168      0.00000
     12      13.0832      0.00000

 k-point   365 :      -0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8793      2.00000
      2       0.5235      2.00000
      3       2.6991      2.00000
      4       3.6579      2.00000
      5       4.0105      2.00000
      6       5.6153      1.99688
      7       7.3632      0.00003
      8       9.3218      0.00000
      9      11.8824      0.00000
     10      12.7661      0.00000
     11      13.3261      0.00000
     12      15.0445      0.00000

 k-point   366 :      -0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2931      2.00000
      2       1.1586      2.00000
      3       2.4190      2.00000
      4       3.4322      2.00000
      5       4.3563      2.00000
      6       6.0708      1.74160
      7       7.2654      0.00009
      8       9.5554      0.00000
      9      11.4840      0.00000
     10      12.5427      0.00000
     11      13.7569      0.00000
     12      14.0088      0.00000

 k-point   367 :      -0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6931      2.00000
      2       1.8340      2.00000
      3       2.1315      2.00000
      4       3.1709      2.00000
      5       5.0094      1.99999
      6       6.5229      0.13651
      7       7.2900      0.00007
      8      10.0721      0.00000
      9      11.0879      0.00000
     10      11.9726      0.00000
     11      12.7424      0.00000
     12      14.1378      0.00000

 k-point   368 :      -0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.0159      2.00000
      2       1.6149      2.00000
      3       2.6458      2.00000
      4       3.1826      2.00000
      5       5.7278      1.99043
      6       6.5914      0.07125
      7       7.9113      0.00000
      8      10.4261      0.00000
      9      10.6264      0.00000
     10      11.1527      0.00000
     11      12.3197      0.00000
     12      13.8739      0.00000

 k-point   369 :      -0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2462      2.00000
      2       1.3473      2.00000
      3       2.5977      2.00000
      4       4.0200      2.00000
      5       6.0507      1.78345
      6       7.0047      0.00118
      7       8.7710      0.00000
      8       9.1985      0.00000
      9      10.5613      0.00000
     10      11.6011      0.00000
     11      12.1470      0.00000
     12      13.0607      0.00000

 k-point   370 :      -0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3787      2.00000
      2       1.1665      2.00000
      3       2.4989      2.00000
      4       4.9713      2.00000
      5       5.9718      1.89543
      6       7.7030      0.00000
      7       8.1847      0.00000
      8       9.7654      0.00000
      9      10.3550      0.00000
     10      11.6235      0.00000
     11      11.9339      0.00000
     12      12.5126      0.00000

 k-point   371 :      -0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.4478      2.00000
      2       0.8674      2.00000
      3       1.8369      2.00000
      4       3.1719      2.00000
      5       4.3407      2.00000
      6       5.7396      1.98924
      7       6.5298      0.12807
      8       8.8010      0.00000
      9      12.3002      0.00000
     10      13.4857      0.00000
     11      14.3483      0.00000
     12      14.5494      0.00000

 k-point   372 :      -0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.8846      2.00000
      2       1.4357      2.00000
      3       1.6826      2.00000
      4       3.4259      2.00000
      5       4.0930      2.00000
      6       6.1412      1.53843
      7       6.5948      0.06894
      8       9.0447      0.00000
      9      11.8940      0.00000
     10      13.7623      0.00000
     11      14.1454      0.00000
     12      14.1790      0.00000

 k-point   373 :      -0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2921      2.00000
      2       1.1619      2.00000
      3       2.4149      2.00000
      4       3.4329      2.00000
      5       4.3555      2.00000
      6       6.0722      1.73843
      7       7.2626      0.00009
      8       9.5537      0.00000
      9      11.4836      0.00000
     10      12.5250      0.00000
     11      13.7611      0.00000
     12      14.0284      0.00000

 k-point   374 :      -0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6177      2.00000
      2       0.8325      2.00000
      3       3.0940      2.00000
      4       3.4456      2.00000
      5       4.9353      2.00000
      6       6.0285      1.82269
      7       8.1493      0.00000
      8      10.1920      0.00000
      9      10.8395      0.00000
     10      11.4023      0.00000
     11      13.2601      0.00000
     12      13.7409      0.00000

 k-point   375 :      -0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8490      2.00000
      2       0.5745      2.00000
      3       2.9581      2.00000
      4       4.3501      2.00000
      5       5.2615      1.99991
      6       6.4346      0.30113
      7       9.1228      0.00000
      8       9.4892      0.00000
      9      10.8247      0.00000
     10      11.2245      0.00000
     11      12.3995      0.00000
     12      13.3737      0.00000

 k-point   376 :      -0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9812      2.00000
      2       0.4032      2.00000
      3       2.8443      2.00000
      4       4.9739      1.99999
      5       5.6218      1.99668
      6       7.1824      0.00020
      7       8.3603      0.00000
      8      10.1122      0.00000
      9      10.4925      0.00000
     10      11.4296      0.00000
     11      12.0259      0.00000
     12      12.6082      0.00000

 k-point   377 :      -0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.0343      2.00000
      2       1.0140      2.00000
      3       1.2358      2.00000
      4       2.8105      2.00000
      5       4.7790      2.00000
      6       5.7609      1.98671
      7       5.9493      1.91562
      8       8.5226      0.00000
      9      12.7503      0.00000
     10      13.6444      0.00000
     11      13.8136      0.00000
     12      15.7982      0.00000

 k-point   378 :      -0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.4465      2.00000
      2       0.8681      2.00000
      3       1.8356      2.00000
      4       3.1706      2.00000
      5       4.3421      2.00000
      6       5.7392      1.98928
      7       6.5289      0.12912
      8       8.7999      0.00000
      9      12.3016      0.00000
     10      13.4841      0.00000
     11      14.3467      0.00000
     12      14.5297      0.00000

 k-point   379 :      -0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8769      2.00000
      2       0.5252      2.00000
      3       2.6962      2.00000
      4       3.6565      2.00000
      5       4.0118      2.00000
      6       5.6151      1.99689
      7       7.3608      0.00003
      8       9.3190      0.00000
      9      11.8842      0.00000
     10      12.7515      0.00000
     11      13.3187      0.00000
     12      15.0411      0.00000

 k-point   380 :      -0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2184      2.00000
      2       0.2174      2.00000
      3       3.5424      2.00000
      4       3.6586      2.00000
      5       4.3124      2.00000
      6       5.6846      1.99378
      7       8.2906      0.00000
      8       9.9899      0.00000
      9      11.2875      0.00000
     10      11.5952      0.00000
     11      12.5902      0.00000
     12      14.1682      0.00000

 k-point   381 :      -0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4620      2.00000
      2      -0.0186      2.00000
      3       3.3241      2.00000
      4       4.4960      2.00000
      5       4.7228      2.00000
      6       6.1637      1.45371
      7       9.2920      0.00000
      8       9.8689      0.00000
      9      10.8244      0.00000
     10      11.1389      0.00000
     11      11.7599      0.00000
     12      13.5335      0.00000

 k-point   382 :      -0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6042      2.00000
      2      -0.1702      2.00000
      3       3.1882      2.00000
      4       4.5306      2.00000
      5       5.7713      1.98525
      6       6.8624      0.00490
      7       8.6848      0.00000
      8      10.2167      0.00000
      9      10.3404      0.00000
     10      11.3275      0.00000
     11      11.6905      0.00000
     12      12.9044      0.00000

 k-point   383 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8596      2.00000
      2       0.7150      2.00000
      3       5.0131      1.99999
      4       5.1998      1.99995
      5       6.4040      0.38781
      6       7.2308      0.00012
      7       8.4762      0.00000
      8       8.5194      0.00000
      9       9.6664      0.00000
     10      11.2229      0.00000
     11      12.0095      0.00000
     12      12.8506      0.00000

 k-point   384 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8095      2.00000
      2       0.7585      2.00000
      3       4.4326      2.00000
      4       5.1712      1.99996
      5       6.6958      0.02568
      6       7.5846      0.00000
      7       8.0398      0.00000
      8       8.5597      0.00000
      9      10.1305      0.00000
     10      11.3363      0.00000
     11      11.9179      0.00000
     12      12.2938      0.00000

 k-point   385 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6599      2.00000
      2       0.8853      2.00000
      3       3.4255      2.00000
      4       5.3057      1.99986
      5       6.4667      0.22778
      6       7.4859      0.00001
      7       8.6109      0.00000
      8       8.9070      0.00000
      9      10.6171      0.00000
     10      11.0463      0.00000
     11      11.5291      0.00000
     12      12.6357      0.00000

 k-point   386 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.4133      2.00000
      2       1.0738      2.00000
      3       2.4656      2.00000
      4       5.5339      1.99862
      5       5.7194      1.99120
      6       7.5717      0.00000
      7       8.8943      0.00000
      8       9.9518      0.00000
      9      10.1158      0.00000
     10      11.1653      0.00000
     11      11.4915      0.00000
     12      12.7117      0.00000

 k-point   387 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.0766      2.00000
      2       1.1329      2.00000
      3       1.7973      2.00000
      4       4.9123      2.00000
      5       5.8621      1.96384
      6       7.8255      0.00000
      7       9.0666      0.00000
      8       9.2968      0.00000
      9      10.5968      0.00000
     10      11.3688      0.00000
     11      11.9771      0.00000
     12      12.5658      0.00000

 k-point   388 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.6704      2.00000
      2       0.5778      2.00000
      3       1.9131      2.00000
      4       4.2068      2.00000
      5       6.2625      0.99533
      6       8.0122      0.00000
      7       8.5159      0.00000
      8       9.6103      0.00000
      9      10.2704      0.00000
     10      11.4109      0.00000
     11      12.0739      0.00000
     12      12.5195      0.00000

 k-point   389 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0312      2.00000
      3       2.1893      2.00000
      4       3.7195      2.00000
      5       6.6789      0.03032
      6       7.6253      0.00000
      7       8.6199      0.00000
      8       9.7804      0.00000
      9      10.0584      0.00000
     10      11.1439      0.00000
     11      11.9742      0.00000
     12      12.7939      0.00000

 k-point   390 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.8094      2.00000
      2       0.7586      2.00000
      3       4.4440      2.00000
      4       5.1585      1.99997
      5       6.6861      0.02825
      6       7.5996      0.00000
      7       8.0448      0.00000
      8       8.5478      0.00000
      9      10.1288      0.00000
     10      11.3378      0.00000
     11      11.9188      0.00000
     12      12.2959      0.00000

 k-point   391 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7545      2.00000
      2       0.8057      2.00000
      3       4.2568      2.00000
      4       4.6834      2.00000
      5       7.1910      0.00018
      6       7.5783      0.00000
      7       7.8671      0.00000
      8       8.5846      0.00000
      9      10.6262      0.00000
     10      11.3788      0.00000
     11      12.0846      0.00000
     12      12.4479      0.00000

 k-point   392 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6001      2.00000
      2       0.9367      2.00000
      3       3.3931      2.00000
      4       4.6281      2.00000
      5       6.6645      0.03494
      6       7.8632      0.00000
      7       8.1040      0.00000
      8       9.2685      0.00000
      9      10.9411      0.00000
     10      11.2308      0.00000
     11      11.7248      0.00000
     12      12.6702      0.00000

 k-point   393 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3490      2.00000
      2       1.1290      2.00000
      3       2.4542      2.00000
      4       4.7744      2.00000
      5       5.8252      1.97486
      6       8.0987      0.00000
      7       8.4241      0.00000
      8       9.9786      0.00000
      9      10.5038      0.00000
     10      11.5213      0.00000
     11      11.7078      0.00000
     12      12.6821      0.00000

 k-point   394 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0081      2.00000
      2       1.1710      2.00000
      3       1.8176      2.00000
      4       4.7760      2.00000
      5       5.2749      1.99990
      6       8.3698      0.00000
      7       8.7337      0.00000
      8       9.1032      0.00000
      9      11.0308      0.00000
     10      11.8709      0.00000
     11      12.0910      0.00000
     12      12.4734      0.00000

 k-point   395 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.5991      2.00000
      2       0.5947      2.00000
      3       1.9675      2.00000
      4       4.1896      2.00000
      5       5.5078      1.99894
      6       8.1103      0.00000
      7       8.8970      0.00000
      8       9.0744      0.00000
      9      10.5879      0.00000
     10      11.7560      0.00000
     11      12.3339      0.00000
     12      12.5998      0.00000

 k-point   396 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2214      2.00000
      2       0.0605      2.00000
      3       2.2465      2.00000
      4       3.7251      2.00000
      5       5.8894      1.95275
      6       7.4702      0.00001
      7       9.1482      0.00000
      8       9.3420      0.00000
      9      10.3037      0.00000
     10      11.1903      0.00000
     11      12.4628      0.00000
     12      12.8821      0.00000

 k-point   397 :      -0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2483      2.00000
      2       0.0960      2.00000
      3       2.2318      2.00000
      4       3.7493      2.00000
      5       6.1208      1.60667
      6       7.1495      0.00028
      7       9.0070      0.00000
      8       9.4324      0.00000
      9      10.5224      0.00000
     10      10.9836      0.00000
     11      12.3710      0.00000
     12      12.8535      0.00000

 k-point   398 :      -0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.6397      2.00000
      2       0.6578      2.00000
      3       1.9478      2.00000
      4       4.2392      2.00000
      5       5.8835      1.95541
      6       7.4850      0.00001
      7       8.6601      0.00000
      8       9.2213      0.00000
      9      11.0936      0.00000
     10      11.1556      0.00000
     11      12.1051      0.00000
     12      12.6766      0.00000

 k-point   399 :      -0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0440      2.00000
      2       1.1969      2.00000
      3       1.8540      2.00000
      4       4.8487      2.00000
      5       5.6021      1.99727
      6       8.0431      0.00000
      7       8.3678      0.00000
      8       8.9602      0.00000
      9      11.1447      0.00000
     10      11.7557      0.00000
     11      11.8657      0.00000
     12      12.2111      0.00000

 k-point   400 :      -0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3769      2.00000
      2       1.1135      2.00000
      3       2.5523      2.00000
      4       4.9422      2.00000
      5       5.9956      1.86919
      6       7.9881      0.00000
      7       8.3940      0.00000
      8       9.2122      0.00000
      9      10.2023      0.00000
     10      11.4731      0.00000
     11      11.8231      0.00000
     12      12.6987      0.00000

 k-point   401 :      -0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6190      2.00000
      2       0.9241      2.00000
      3       3.5174      2.00000
      4       4.7272      2.00000
      5       6.8226      0.00729
      6       7.8053      0.00000
      7       8.1586      0.00000
      8       8.9669      0.00000
      9      10.0494      0.00000
     10      11.0982      0.00000
     11      11.6535      0.00000
     12      12.7938      0.00000

 k-point   402 :      -0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7640      2.00000
      2       0.7992      2.00000
      3       4.4897      2.00000
      4       4.5897      2.00000
      5       7.2513      0.00010
      6       7.6350      0.00000
      7       7.8708      0.00000
      8       8.4001      0.00000
      9      10.5297      0.00000
     10      10.9942      0.00000
     11      11.4256      0.00000
     12      12.3953      0.00000

 k-point   403 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6594      2.00000
      2       0.8859      2.00000
      3       3.4353      2.00000
      4       5.2931      1.99988
      5       6.4665      0.22831
      6       7.4804      0.00001
      7       8.6052      0.00000
      8       8.9151      0.00000
      9      10.6108      0.00000
     10      11.0439      0.00000
     11      11.5297      0.00000
     12      12.6458      0.00000

 k-point   404 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.5998      2.00000
      2       0.9372      2.00000
      3       3.4020      2.00000
      4       4.6176      2.00000
      5       6.6700      0.03312
      6       7.8509      0.00000
      7       8.0980      0.00000
      8       9.2804      0.00000
      9      10.9400      0.00000
     10      11.2223      0.00000
     11      11.7250      0.00000
     12      12.6747      0.00000

 k-point   405 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4406      2.00000
      2       1.0747      2.00000
      3       3.2454      2.00000
      4       3.8481      2.00000
      5       6.6005      0.06523
      6       7.2384      0.00011
      7       9.0620      0.00000
      8       9.7035      0.00000
      9      10.0448      0.00000
     10      11.9154      0.00000
     11      12.1372      0.00000
     12      13.2269      0.00000

 k-point   406 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.1847      2.00000
      2       1.2772      2.00000
      3       2.4941      2.00000
      4       3.8120      2.00000
      5       5.8925      1.95131
      6       7.2353      0.00012
      7       9.0872      0.00000
      8       9.6218      0.00000
      9      10.8297      0.00000
     10      12.0377      0.00000
     11      12.6191      0.00000
     12      12.7280      0.00000

 k-point   407 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.8390      2.00000
      2       1.3102      2.00000
      3       1.9061      2.00000
      4       4.0026      2.00000
      5       5.1278      1.99998
      6       7.3736      0.00003
      7       8.2801      0.00000
      8      10.0038      0.00000
      9      11.6372      0.00000
     10      11.9359      0.00000
     11      12.4071      0.00000
     12      12.8461      0.00000

 k-point   408 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.4262      2.00000
      2       0.7063      2.00000
      3       2.1087      2.00000
      4       4.0594      2.00000
      5       4.6869      2.00000
      6       7.1318      0.00033
      7       8.0247      0.00000
      8      10.3584      0.00000
      9      10.9108      0.00000
     10      11.7381      0.00000
     11      12.8041      0.00000
     12      13.5587      0.00000

 k-point   409 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.0527      2.00000
      2       0.1820      2.00000
      3       2.4035      2.00000
      4       3.7466      2.00000
      5       4.8735      2.00000
      6       6.5839      0.07661
      7       8.2391      0.00000
      8      10.2540      0.00000
      9      10.5636      0.00000
     10      11.6320      0.00000
     11      13.0093      0.00000
     12      13.7152      0.00000

 k-point   410 :      -0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.1070      2.00000
      2       0.2540      2.00000
      3       2.3725      2.00000
      4       3.8038      2.00000
      5       5.0622      1.99999
      6       6.3091      0.76687
      7       8.3774      0.00000
      8       9.9096      0.00000
      9      10.4142      0.00000
     10      11.9335      0.00000
     11      13.0345      0.00000
     12      13.4815      0.00000

 k-point   411 :      -0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.5074      2.00000
      2       0.8346      2.00000
      3       2.0692      2.00000
      4       4.2149      2.00000
      5       4.9920      1.99999
      6       6.5841      0.07644
      7       8.2410      0.00000
      8       9.7355      0.00000
      9      10.4659      0.00000
     10      12.2014      0.00000
     11      12.8939      0.00000
     12      13.2191      0.00000

 k-point   412 :      -0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.9107      2.00000
      2       1.3621      2.00000
      3       1.9851      2.00000
      4       4.2497      2.00000
      5       5.3476      1.99979
      6       7.1259      0.00035
      7       8.0232      0.00000
      8       9.4928      0.00000
      9      10.9315      0.00000
     10      11.7425      0.00000
     11      12.3940      0.00000
     12      12.9627      0.00000

 k-point   413 :      -0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.2402      2.00000
      2       1.2452      2.00000
      3       2.7103      2.00000
      4       3.9892      2.00000
      5       6.1308      1.57411
      6       7.3726      0.00003
      7       8.2632      0.00000
      8       9.2470      0.00000
      9      10.4396      0.00000
     10      11.5725      0.00000
     11      12.1322      0.00000
     12      12.6184      0.00000

 k-point   414 :      -0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4782      2.00000
      2       1.0499      2.00000
      3       3.5648      2.00000
      4       3.8568      2.00000
      5       6.8852      0.00391
      6       7.3711      0.00003
      7       8.8092      0.00000
      8       8.9727      0.00000
      9       9.4314      0.00000
     10      11.7528      0.00000
     11      11.9287      0.00000
     12      12.5179      0.00000

 k-point   415 :      -0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6187      2.00000
      2       0.9245      2.00000
      3       3.5271      2.00000
      4       4.7161      2.00000
      5       6.8273      0.00696
      6       7.7918      0.00000
      7       8.1527      0.00000
      8       8.9799      0.00000
      9      10.0470      0.00000
     10      11.0910      0.00000
     11      11.6553      0.00000
     12      12.8037      0.00000

 k-point   416 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0754      2.00000
      3       2.4732      2.00000
      4       5.5222      1.99877
      5       5.7239      1.99080
      6       7.5580      0.00000
      7       8.8833      0.00000
      8       9.9486      0.00000
      9      10.1221      0.00000
     10      11.1654      0.00000
     11      11.4893      0.00000
     12      12.7083      0.00000

 k-point   417 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3481      2.00000
      2       1.1305      2.00000
      3       2.4615      2.00000
      4       4.7642      2.00000
      5       5.8305      1.97349
      6       8.0865      0.00000
      7       8.4114      0.00000
      8       9.9754      0.00000
      9      10.5189      0.00000
     10      11.5141      0.00000
     11      11.7030      0.00000
     12      12.6780      0.00000

 k-point   418 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1841      2.00000
      2       1.2783      2.00000
      3       2.5003      2.00000
      4       3.8041      2.00000
      5       5.8977      1.94875
      6       7.2282      0.00013
      7       9.0851      0.00000
      8       9.6057      0.00000
      9      10.8478      0.00000
     10      12.0377      0.00000
     11      12.6070      0.00000
     12      12.7248      0.00000

 k-point   419 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.9231      2.00000
      2       1.5040      2.00000
      3       2.3918      2.00000
      4       3.1227      2.00000
      5       5.7863      1.98289
      6       6.5407      0.11560
      7       8.1810      0.00000
      8      10.8634      0.00000
      9      11.2007      0.00000
     10      11.6789      0.00000
     11      12.6852      0.00000
     12      13.4923      0.00000

 k-point   420 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.5720      2.00000
      2       1.5459      2.00000
      3       2.0153      2.00000
      4       3.1349      2.00000
      5       5.1861      1.99996
      6       6.3834      0.45650
      7       7.4424      0.00001
      8      10.7121      0.00000
      9      11.4987      0.00000
     10      12.3698      0.00000
     11      13.1798      0.00000
     12      13.5621      0.00000

 k-point   421 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.1536      2.00000
      2       0.9055      2.00000
      3       2.3194      2.00000
      4       3.3716      2.00000
      5       4.5137      2.00000
      6       6.1224      1.60173
      7       7.1694      0.00023
      8      10.0319      0.00000
      9      11.8981      0.00000
     10      12.7631      0.00000
     11      13.2536      0.00000
     12      14.5632      0.00000

 k-point   422 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.7815      2.00000
      2       0.3902      2.00000
      3       2.6577      2.00000
      4       3.5954      2.00000
      5       4.0733      2.00000
      6       5.6872      1.99361
      7       7.2801      0.00008
      8       9.5153      0.00000
      9      12.0155      0.00000
     10      12.8635      0.00000
     11      13.2588      0.00000
     12      14.8854      0.00000

 k-point   423 :      -0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.8642      2.00000
      2       0.5012      2.00000
      3       2.6074      2.00000
      4       3.8143      2.00000
      5       4.0470      2.00000
      6       5.5102      1.99891
      7       7.3627      0.00003
      8       9.3140      0.00000
      9      11.7015      0.00000
     10      12.9749      0.00000
     11      13.5273      0.00000
     12      14.7173      0.00000

 k-point   424 :      -0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.2755      2.00000
      2       1.1051      2.00000
      3       2.2675      2.00000
      4       3.6562      2.00000
      5       4.6068      2.00000
      6       5.7532      1.98768
      7       7.2718      0.00008
      8       9.5219      0.00000
      9      11.3222      0.00000
     10      12.7159      0.00000
     11      13.8917      0.00000
     12      14.0728      0.00000

 k-point   425 :      -0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.6787      2.00000
      2       1.6255      2.00000
      3       2.1692      2.00000
      4       3.3446      2.00000
      5       5.3959      1.99965
      6       6.1664      1.44284
      7       7.1975      0.00017
      8      10.0192      0.00000
      9      10.9862      0.00000
     10      12.0234      0.00000
     11      12.8392      0.00000
     12      13.9980      0.00000

 k-point   426 :      -0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.0054      2.00000
      2       1.4564      2.00000
      3       2.7894      2.00000
      4       3.1887      2.00000
      5       6.1405      1.54086
      6       6.4726      0.21611
      7       7.5451      0.00001
      8      10.4794      0.00000
      9      10.5286      0.00000
     10      11.0844      0.00000
     11      12.4263      0.00000
     12      13.4511      0.00000

 k-point   427 :      -0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.2397      2.00000
      2       1.2462      2.00000
      3       2.7174      2.00000
      4       3.9809      2.00000
      5       6.1364      1.55516
      6       7.3656      0.00003
      7       8.2598      0.00000
      8       9.2305      0.00000
      9      10.4581      0.00000
     10      11.5708      0.00000
     11      12.1272      0.00000
     12      12.6141      0.00000

 k-point   428 :      -0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3760      2.00000
      2       1.1149      2.00000
      3       2.5599      2.00000
      4       4.9330      2.00000
      5       5.9998      1.86394
      6       7.9720      0.00000
      7       8.3849      0.00000
      8       9.2082      0.00000
      9      10.2162      0.00000
     10      11.4661      0.00000
     11      11.8230      0.00000
     12      12.6959      0.00000

 k-point   429 :      -0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.5232      2.00000
      2       0.8264      2.00000
      3       2.9225      2.00000
      4       3.0499      2.00000
      5       3.7273      2.00000
      6       4.9922      1.99999
      7       6.4246      0.32755
      8       8.6932      0.00000
      9      13.1450      0.00000
     10      13.5028      0.00000
     11      14.4459      0.00000
     12      15.6816      0.00000

 k-point   430 :      -0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.9480      2.00000
      2       1.4589      2.00000
      3       2.4653      2.00000
      4       2.8504      2.00000
      5       4.3629      2.00000
      6       5.2800      1.99989
      7       6.3996      0.40188
      8       8.9028      0.00000
      9      12.7136      0.00000
     10      13.1608      0.00000
     11      14.3361      0.00000
     12      14.9282      0.00000

 k-point   431 :      -0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.3529      2.00000
      2       1.9505      2.00000
      3       2.1983      2.00000
      4       2.7091      2.00000
      5       5.1201      1.99998
      6       5.5682      1.99805
      7       6.5845      0.07612
      8       9.3888      0.00000
      9      12.3137      0.00000
     10      12.3457      0.00000
     11      13.2827      0.00000
     12      14.7851      0.00000

 k-point   432 :      -0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6780      2.00000
      2       1.6287      2.00000
      3       2.1719      2.00000
      4       3.3388      2.00000
      5       5.3994      1.99964
      6       6.1632      1.45572
      7       7.1939      0.00018
      8      10.0158      0.00000
      9      10.9685      0.00000
     10      12.0389      0.00000
     11      12.8447      0.00000
     12      13.9864      0.00000

 k-point   433 :      -0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9094      2.00000
      2       1.3661      2.00000
      3       1.9885      2.00000
      4       4.2432      2.00000
      5       5.3504      1.99978
      6       7.1213      0.00037
      7       8.0164      0.00000
      8       9.4750      0.00000
      9      10.9284      0.00000
     10      11.7551      0.00000
     11      12.3920      0.00000
     12      12.9584      0.00000

 k-point   434 :      -0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0424      2.00000
      2       1.2014      2.00000
      3       1.8576      2.00000
      4       4.8500      2.00000
      5       5.5954      1.99745
      6       8.0334      0.00000
      7       8.3550      0.00000
      8       8.9515      0.00000
      9      11.1389      0.00000
     10      11.7532      0.00000
     11      11.8628      0.00000
     12      12.2188      0.00000

 k-point   435 :      -0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0926      2.00000
      2       1.1957      2.00000
      3       2.1938      2.00000
      4       3.1529      2.00000
      5       3.5079      2.00000
      6       4.8683      2.00000
      7       5.5849      1.99770
      8       8.2283      0.00000
      9      13.8238      0.00000
     10      14.7191      0.00000
     11      15.0741      0.00000
     12      15.7649      0.00000

 k-point   436 :      -0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.5367      2.00000
      2       1.8009      2.00000
      3       1.9537      2.00000
      4       2.9065      2.00000
      5       3.8487      2.00000
      6       5.1830      1.99996
      7       5.7373      1.98948
      8       8.4418      0.00000
      9      13.3907      0.00000
     10      14.2531      0.00000
     11      14.8586      0.00000
     12      15.2985      0.00000

 k-point   437 :      -0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.9470      2.00000
      2       1.4625      2.00000
      3       2.4641      2.00000
      4       2.8484      2.00000
      5       4.3629      2.00000
      6       5.2798      1.99989
      7       6.3971      0.40985
      8       8.9012      0.00000
      9      12.6968      0.00000
     10      13.1604      0.00000
     11      14.3569      0.00000
     12      14.9271      0.00000

 k-point   438 :      -0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2737      2.00000
      2       1.1094      2.00000
      3       2.2689      2.00000
      4       3.6516      2.00000
      5       4.6079      2.00000
      6       5.7501      1.98805
      7       7.2672      0.00009
      8       9.5179      0.00000
      9      11.3030      0.00000
     10      12.7185      0.00000
     11      13.8968      0.00000
     12      14.0717      0.00000

 k-point   439 :      -0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5051      2.00000
      2       0.8395      2.00000
      3       2.0714      2.00000
      4       4.2152      2.00000
      5       4.9870      1.99999
      6       6.5787      0.08049
      7       8.2344      0.00000
      8       9.7193      0.00000
      9      10.4590      0.00000
     10      12.1960      0.00000
     11      12.8849      0.00000
     12      13.2181      0.00000

 k-point   440 :      -0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6370      2.00000
      2       0.6629      2.00000
      3       1.9504      2.00000
      4       4.2420      2.00000
      5       5.8745      1.95915
      6       7.4774      0.00001
      7       8.6447      0.00000
      8       9.2129      0.00000
      9      11.0849      0.00000
     10      11.1442      0.00000
     11      12.0957      0.00000
     12      12.6805      0.00000

 k-point   441 :      -0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.3909      2.00000
      2       1.3652      2.00000
      3       1.6014      2.00000
      4       2.9062      2.00000
      5       3.8433      2.00000
      6       4.8222      2.00000
      7       4.9896      1.99999
      8       7.9868      0.00000
      9      14.2819      0.00000
     10      15.1397      0.00000
     11      15.2824      0.00000
     12      16.1656      0.00000

 k-point   442 :      -0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0912      2.00000
      2       1.1966      2.00000
      3       2.1925      2.00000
      4       3.1524      2.00000
      5       3.5087      2.00000
      6       4.8675      2.00000
      7       5.5840      1.99772
      8       8.2273      0.00000
      9      13.8246      0.00000
     10      14.7045      0.00000
     11      15.0674      0.00000
     12      15.7630      0.00000

 k-point   443 :      -0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.5208      2.00000
      2       0.8283      2.00000
      3       2.9247      2.00000
      4       3.0470      2.00000
      5       3.7262      2.00000
      6       4.9905      1.99999
      7       6.4221      0.33450
      8       8.6906      0.00000
      9      13.1274      0.00000
     10      13.5018      0.00000
     11      14.4397      0.00000
     12      15.6706      0.00000

 k-point   444 :      -0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8611      2.00000
      2       0.5038      2.00000
      3       2.6106      2.00000
      4       3.8136      2.00000
      5       4.0431      2.00000
      6       5.5061      1.99895
      7       7.3585      0.00003
      8       9.3093      0.00000
      9      11.6825      0.00000
     10      12.9711      0.00000
     11      13.5208      0.00000
     12      14.7037      0.00000

 k-point   445 :      -0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1033      2.00000
      2       0.2571      2.00000
      3       2.3763      2.00000
      4       3.8046      2.00000
      5       5.0559      1.99999
      6       6.3025      0.79807
      7       8.3715      0.00000
      8       9.8990      0.00000
      9      10.4009      0.00000
     10      11.9198      0.00000
     11      13.0381      0.00000
     12      13.4666      0.00000

 k-point   446 :      -0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2442      2.00000
      2       0.0994      2.00000
      3       2.2359      2.00000
      4       3.7506      2.00000
      5       6.1128      1.63132
      6       7.1407      0.00030
      7       8.9923      0.00000
      8       9.4247      0.00000
      9      10.5097      0.00000
     10      10.9738      0.00000
     11      12.3576      0.00000
     12      12.8581      0.00000

 k-point   447 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4705      2.00000
      2      -0.0618      2.00000
      3       5.4059      1.99962
      4       5.6353      1.99619
      5       6.8691      0.00459
      6       7.3580      0.00003
      7       7.6771      0.00000
      8       7.6906      0.00000
      9       8.8492      0.00000
     10      11.4197      0.00000
     11      13.1300      0.00000
     12      13.2506      0.00000

 k-point   448 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4195      2.00000
      2      -0.0180      2.00000
      3       4.8321      2.00000
      4       5.5880      1.99763
      5       6.7633      0.01315
      6       7.4598      0.00001
      7       7.7011      0.00000
      8       7.9350      0.00000
      9       9.3557      0.00000
     10      11.5981      0.00000
     11      12.4497      0.00000
     12      13.1133      0.00000

 k-point   449 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.2672      2.00000
      2       0.1115      2.00000
      3       3.8083      2.00000
      4       5.7079      1.99215
      5       5.9318      1.92870
      6       7.6068      0.00000
      7       7.8603      0.00000
      8       8.9837      0.00000
      9      10.1220      0.00000
     10      11.3747      0.00000
     11      12.2545      0.00000
     12      12.9340      0.00000

 k-point   450 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.0158      2.00000
      2       0.3192      2.00000
      3       2.8092      2.00000
      4       5.0234      1.99999
      5       5.9554      1.91060
      6       7.8417      0.00000
      7       8.1000      0.00000
      8       9.7847      0.00000
      9      10.4195      0.00000
     10      11.1426      0.00000
     11      12.3294      0.00000
     12      12.7433      0.00000

 k-point   451 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.6708      2.00000
      2       0.5788      2.00000
      3       1.9121      2.00000
      4       4.2068      2.00000
      5       6.2745      0.93551
      6       8.1541      0.00000
      7       8.4228      0.00000
      8       9.5011      0.00000
      9      10.2153      0.00000
     10      11.5977      0.00000
     11      11.9613      0.00000
     12      12.5182      0.00000

 k-point   452 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.2495      2.00000
      2       0.7127      2.00000
      3       1.2938      2.00000
      4       3.5187      2.00000
      5       6.6738      0.03189
      6       8.4096      0.00000
      7       8.7954      0.00000
      8       8.8962      0.00000
      9      10.2691      0.00000
     10      10.8822      0.00000
     11      11.4172      0.00000
     12      13.5933      0.00000

 k-point   453 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.8349      2.00000
      2       0.3227      2.00000
      3       1.3413      2.00000
      4       3.0685      2.00000
      5       7.0910      0.00050
      6       8.0302      0.00000
      7       9.0384      0.00000
      8       9.1684      0.00000
      9      10.0520      0.00000
     10      10.3621      0.00000
     11      11.1976      0.00000
     12      13.4982      0.00000

 k-point   454 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.4194      2.00000
      2      -0.0179      2.00000
      3       4.8435      2.00000
      4       5.5756      1.99790
      5       6.7643      0.01302
      6       7.4586      0.00001
      7       7.6909      0.00000
      8       7.9413      0.00000
      9       9.3579      0.00000
     10      11.6015      0.00000
     11      12.4490      0.00000
     12      13.1131      0.00000

 k-point   455 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3636      2.00000
      2       0.0295      2.00000
      3       4.6838      2.00000
      4       5.0473      1.99999
      5       6.7474      0.01540
      6       7.1492      0.00028
      7       7.9444      0.00000
      8       8.4380      0.00000
      9       9.8238      0.00000
     10      11.8069      0.00000
     11      12.4497      0.00000
     12      13.2833      0.00000

 k-point   456 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2064      2.00000
      2       0.1630      2.00000
      3       3.7872      2.00000
      4       4.9897      1.99999
      5       5.9620      1.90473
      6       7.2147      0.00015
      7       8.3947      0.00000
      8       9.4233      0.00000
      9      10.5483      0.00000
     10      11.3990      0.00000
     11      12.3794      0.00000
     12      12.9817      0.00000

 k-point   457 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9503      2.00000
      2       0.3750      2.00000
      3       2.8027      2.00000
      4       4.9043      2.00000
      5       5.3397      1.99980
      6       7.4162      0.00002
      7       8.7192      0.00000
      8      10.3491      0.00000
      9      10.5323      0.00000
     10      11.3207      0.00000
     11      12.3883      0.00000
     12      12.7127      0.00000

 k-point   458 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6010      2.00000
      2       0.6380      2.00000
      3       1.9147      2.00000
      4       4.1862      2.00000
      5       5.5244      1.99874
      6       7.6860      0.00000
      7       9.0830      0.00000
      8       9.4387      0.00000
      9      10.9635      0.00000
     10      11.7234      0.00000
     11      11.8881      0.00000
     12      12.6568      0.00000

 k-point   459 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.1767      2.00000
      2       0.7562      2.00000
      3       1.3234      2.00000
      4       3.5153      2.00000
      5       5.8780      1.95775
      6       7.9744      0.00000
      7       8.6400      0.00000
      8       9.4844      0.00000
      9      10.7479      0.00000
     10      11.0897      0.00000
     11      11.6437      0.00000
     12      13.8119      0.00000

 k-point   460 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.7680      2.00000
      2       0.3548      2.00000
      3       1.3961      2.00000
      4       3.0793      2.00000
      5       6.2909      0.85443
      6       7.7917      0.00000
      7       8.4585      0.00000
      8       9.7162      0.00000
      9      10.2233      0.00000
     10      10.7715      0.00000
     11      11.6891      0.00000
     12      13.8512      0.00000

 k-point   461 :      -0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.7986      2.00000
      2       0.3902      2.00000
      3       1.3875      2.00000
      4       3.1012      2.00000
      5       6.5509      0.10499
      6       7.4718      0.00001
      7       8.5912      0.00000
      8       9.3797      0.00000
      9      10.1312      0.00000
     10      10.9083      0.00000
     11      11.7520      0.00000
     12      14.0084      0.00000

 k-point   462 :      -0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.2197      2.00000
      2       0.7718      2.00000
      3       1.3547      2.00000
      4       3.5643      2.00000
      5       6.2826      0.89543
      6       7.8076      0.00000
      7       8.4321      0.00000
      8       8.9949      0.00000
      9      10.3678      0.00000
     10      11.0901      0.00000
     11      12.0422      0.00000
     12      13.8871      0.00000

 k-point   463 :      -0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6384      2.00000
      2       0.6167      2.00000
      3       1.9985      2.00000
      4       4.2430      2.00000
      5       5.8907      1.95214
      6       7.9465      0.00000
      7       8.5086      0.00000
      8       8.8051      0.00000
      9      10.5738      0.00000
     10      11.2549      0.00000
     11      12.5485      0.00000
     12      12.6351      0.00000

 k-point   464 :      -0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9792      2.00000
      2       0.3559      2.00000
      3       2.9016      2.00000
      4       4.9468      2.00000
      5       5.6547      1.99538
      6       7.6521      0.00000
      7       8.3648      0.00000
      8       9.4748      0.00000
      9      10.1783      0.00000
     10      11.1653      0.00000
     11      11.9759      0.00000
     12      13.1866      0.00000

 k-point   465 :      -0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2259      2.00000
      2       0.1498      2.00000
      3       3.9029      2.00000
      4       5.0789      1.99999
      5       6.1487      1.51109
      6       7.4025      0.00002
      7       8.1619      0.00000
      8       9.1468      0.00000
      9      10.2945      0.00000
     10      10.5167      0.00000
     11      12.1981      0.00000
     12      12.9259      0.00000

 k-point   466 :      -0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3734      2.00000
      2       0.0228      2.00000
      3       4.9233      2.00000
      4       4.9436      2.00000
      5       6.9245      0.00264
      6       7.2890      0.00007
      7       7.8090      0.00000
      8       8.1949      0.00000
      9       9.7181      0.00000
     10      11.3100      0.00000
     11      11.8791      0.00000
     12      13.1677      0.00000

 k-point   467 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2668      2.00000
      2       0.1121      2.00000
      3       3.8185      2.00000
      4       5.6966      1.99299
      5       5.9372      1.92489
      6       7.5923      0.00000
      7       7.8486      0.00000
      8       8.9916      0.00000
      9      10.1263      0.00000
     10      11.3728      0.00000
     11      12.2655      0.00000
     12      12.9311      0.00000

 k-point   468 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2061      2.00000
      2       0.1634      2.00000
      3       3.7967      2.00000
      4       4.9792      1.99999
      5       5.9684      1.89874
      6       7.2052      0.00016
      7       8.3802      0.00000
      8       9.4357      0.00000
      9      10.5462      0.00000
     10      11.3980      0.00000
     11      12.3883      0.00000
     12      12.9773      0.00000

 k-point   469 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0442      2.00000
      2       0.3024      2.00000
      3       3.6866      2.00000
      4       4.1448      2.00000
      5       5.7804      1.98386
      6       6.6072      0.06114
      7       9.4908      0.00000
      8       9.9340      0.00000
      9      10.4432      0.00000
     10      11.3929      0.00000
     11      12.5722      0.00000
     12      13.0832      0.00000

 k-point   470 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.7833      2.00000
      2       0.5215      2.00000
      3       2.8687      2.00000
      4       4.1207      2.00000
      5       5.1320      1.99998
      6       6.5652      0.09158
      7       9.4494      0.00000
      8      10.0029      0.00000
      9      11.1280      0.00000
     10      11.8201      0.00000
     11      12.1735      0.00000
     12      13.3437      0.00000

 k-point   471 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.4296      2.00000
      2       0.7937      2.00000
      3       2.0017      2.00000
      4       4.0742      2.00000
      5       4.6643      2.00000
      6       6.7413      0.01637
      7       8.5354      0.00000
      8      10.3558      0.00000
      9      11.0253      0.00000
     10      12.1947      0.00000
     11      12.8016      0.00000
     12      13.0432      0.00000

 k-point   472 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.0018      2.00000
      2       0.9016      2.00000
      3       1.4419      2.00000
      4       3.5392      2.00000
      5       4.8789      2.00000
      6       6.9381      0.00230
      7       7.7758      0.00000
      8      10.1704      0.00000
      9      10.8750      0.00000
     10      12.0694      0.00000
     11      12.8855      0.00000
     12      14.1577      0.00000

 k-point   473 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.5981      2.00000
      2       0.4851      2.00000
      3       1.5524      2.00000
      4       3.1280      2.00000
      5       5.2538      1.99992
      6       6.7959      0.00951
      7       7.4976      0.00001
      8       9.6508      0.00000
      9      10.9933      0.00000
     10      11.9363      0.00000
     11      12.9413      0.00000
     12      14.5897      0.00000

 k-point   474 :      -0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.6595      2.00000
      2       0.5568      2.00000
      3       1.5332      2.00000
      4       3.1743      2.00000
      5       5.4998      1.99902
      6       6.5231      0.13633
      7       7.5507      0.00001
      8       9.4172      0.00000
      9      10.7067      0.00000
     10      12.2332      0.00000
     11      12.9061      0.00000
     12      14.5462      0.00000

 k-point   475 :      -0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.0876      2.00000
      2       0.9331      2.00000
      3       1.5041      2.00000
      4       3.6415      2.00000
      5       5.2934      1.99988
      6       6.7867      0.01042
      7       7.4879      0.00001
      8       9.5711      0.00000
      9      10.3752      0.00000
     10      12.2329      0.00000
     11      13.2124      0.00000
     12      14.0029      0.00000

 k-point   476 :      -0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.5042      2.00000
      2       0.7500      2.00000
      3       2.1727      2.00000
      4       4.2080      2.00000
      5       5.0406      1.99999
      6       6.9373      0.00232
      7       7.7564      0.00000
      8       9.7522      0.00000
      9      10.3725      0.00000
     10      11.7782      0.00000
     11      12.7596      0.00000
     12      13.6677      0.00000

 k-point   477 :      -0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.8408      2.00000
      2       0.4833      2.00000
      3       3.0778      2.00000
      4       4.2969      2.00000
      5       5.4034      1.99963
      6       6.7692      0.01240
      7       8.5084      0.00000
      8       9.5855      0.00000
      9      10.6877      0.00000
     10      10.9720      0.00000
     11      11.9135      0.00000
     12      13.5093      0.00000

 k-point   478 :      -0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0830      2.00000
      2       0.2761      2.00000
      3       4.0237      2.00000
      4       4.1381      2.00000
      5       6.0396      1.80396
      6       6.7750      0.01171
      7       9.2508      0.00000
      8       9.3636      0.00000
      9       9.5566      0.00000
     10      11.1479      0.00000
     11      11.7026      0.00000
     12      12.9101      0.00000

 k-point   479 :      -0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2256      2.00000
      2       0.1502      2.00000
      3       3.9129      2.00000
      4       5.0689      1.99999
      5       6.1544      1.48988
      6       7.3921      0.00002
      7       8.1468      0.00000
      8       9.1592      0.00000
      9      10.2915      0.00000
     10      10.5178      0.00000
     11      12.2057      0.00000
     12      12.9261      0.00000

 k-point   480 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2       0.3205      2.00000
      3       2.8176      2.00000
      4       5.0296      1.99999
      5       5.9431      1.92049
      6       7.8259      0.00000
      7       8.0886      0.00000
      8       9.7781      0.00000
      9      10.4163      0.00000
     10      11.1588      0.00000
     11      12.3229      0.00000
     12      12.7410      0.00000

 k-point   481 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9494      2.00000
      2       0.3761      2.00000
      3       2.8109      2.00000
      4       4.9050      2.00000
      5       5.3340      1.99981
      6       7.4062      0.00002
      7       8.7027      0.00000
      8      10.3453      0.00000
      9      10.5313      0.00000
     10      11.3313      0.00000
     11      12.3805      0.00000
     12      12.7113      0.00000

 k-point   482 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7828      2.00000
      2       0.5222      2.00000
      3       2.8760      2.00000
      4       4.1129      2.00000
      5       5.1358      1.99997
      6       6.5587      0.09743
      7       9.4476      0.00000
      8       9.9850      0.00000
      9      11.1450      0.00000
     10      11.8132      0.00000
     11      12.1722      0.00000
     12      13.3361      0.00000

 k-point   483 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.5172      2.00000
      2       0.7524      2.00000
      3       2.8383      2.00000
      4       3.3606      2.00000
      5       4.9476      2.00000
      6       5.9630      1.90380
      7       8.4732      0.00000
      8      10.8490      0.00000
      9      11.2934      0.00000
     10      11.8336      0.00000
     11      13.1148      0.00000
     12      14.0344      0.00000

 k-point   484 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.1588      2.00000
      2       1.0418      2.00000
      3       2.1528      2.00000
      4       3.3988      2.00000
      5       4.4320      2.00000
      6       5.8620      1.96387
      7       7.5804      0.00000
      8      10.0923      0.00000
      9      11.9018      0.00000
     10      13.0711      0.00000
     11      13.6737      0.00000
     12      14.1187      0.00000

 k-point   485 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.7266      2.00000
      2       1.1469      2.00000
      3       1.6410      2.00000
      4       3.4601      2.00000
      5       4.0657      2.00000
      6       5.9313      1.92904
      7       6.8560      0.00523
      8       9.4261      0.00000
      9      12.3208      0.00000
     10      13.3956      0.00000
     11      14.2447      0.00000
     12      14.4541      0.00000

 k-point   486 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.3261      2.00000
      2       0.7094      2.00000
      3       1.8092      2.00000
      4       3.1914      2.00000
      5       4.2735      2.00000
      6       5.7792      1.98405
      7       6.5389      0.11755
      8       8.9543      0.00000
      9      12.4395      0.00000
     10      13.3170      0.00000
     11      14.3382      0.00000
     12      14.8406      0.00000

 k-point   487 :      -0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.4190      2.00000
      2       0.8198      2.00000
      3       1.7750      2.00000
      4       3.2725      2.00000
      5       4.4693      2.00000
      6       5.5755      1.99790
      7       6.5280      0.13025
      8       8.7838      0.00000
      9      12.1027      0.00000
     10      13.6472      0.00000
     11      14.2385      0.00000
     12      14.8076      0.00000

 k-point   488 :      -0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.8549      2.00000
      2       1.1947      2.00000
      3       1.7350      2.00000
      4       3.6573      2.00000
      5       4.3909      2.00000
      6       5.7924      1.98183
      7       6.5392      0.11726
      8       8.9732      0.00000
      9      11.7090      0.00000
     10      13.4946      0.00000
     11      14.1869      0.00000
     12      14.4865      0.00000

 k-point   489 :      -0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.2697      2.00000
      2       0.9740      2.00000
      3       2.4273      2.00000
      4       3.6377      2.00000
      5       4.7392      2.00000
      6       5.9415      1.92174
      7       6.8900      0.00372
      8       9.4468      0.00000
      9      11.3579      0.00000
     10      12.4801      0.00000
     11      13.4621      0.00000
     12      14.2084      0.00000

 k-point   490 :      -0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.6026      2.00000
      2       0.6958      2.00000
      3       3.2518      2.00000
      4       3.4311      2.00000
      5       5.2837      1.99989
      6       6.0710      1.74097
      7       7.6240      0.00000
      8      10.0778      0.00000
      9      10.9192      0.00000
     10      11.2156      0.00000
     11      12.7594      0.00000
     12      13.8377      0.00000

 k-point   491 :      -0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.8403      2.00000
      2       0.4840      2.00000
      3       3.0856      2.00000
      4       4.2896      2.00000
      5       5.4068      1.99961
      6       6.7623      0.01329
      7       8.5062      0.00000
      8       9.5671      0.00000
      9      10.7038      0.00000
     10      10.9670      0.00000
     11      11.9130      0.00000
     12      13.5160      0.00000

 k-point   492 :      -0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9784      2.00000
      2       0.3569      2.00000
      3       2.9098      2.00000
      4       4.9485      2.00000
      5       5.6482      1.99567
      6       7.6417      0.00000
      7       8.3482      0.00000
      8       9.4705      0.00000
      9      10.1777      0.00000
     10      11.1752      0.00000
     11      11.9763      0.00000
     12      13.1820      0.00000

 k-point   493 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6691      2.00000
      2       0.5812      2.00000
      3       1.9186      2.00000
      4       4.2115      2.00000
      5       6.2629      0.99325
      6       8.1386      0.00000
      7       8.4119      0.00000
      8       9.4942      0.00000
      9      10.2036      0.00000
     10      11.5885      0.00000
     11      11.9563      0.00000
     12      12.5404      0.00000

 k-point   494 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5994      2.00000
      2       0.6403      2.00000
      3       1.9209      2.00000
      4       4.1904      2.00000
      5       5.5141      1.99887
      6       7.6765      0.00000
      7       9.0667      0.00000
      8       9.4335      0.00000
      9      10.9502      0.00000
     10      11.7154      0.00000
     11      11.8820      0.00000
     12      12.6782      0.00000

 k-point   495 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.4283      2.00000
      2       0.7956      2.00000
      3       2.0075      2.00000
      4       4.0740      2.00000
      5       4.6599      2.00000
      6       6.7340      0.01759
      7       8.5319      0.00000
      8      10.3382      0.00000
      9      11.0214      0.00000
     10      12.1837      0.00000
     11      12.8059      0.00000
     12      13.0457      0.00000

 k-point   496 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.1580      2.00000
      2       1.0431      2.00000
      3       2.1577      2.00000
      4       3.3934      2.00000
      5       4.4340      2.00000
      6       5.8576      1.96538
      7       7.5787      0.00000
      8      10.0904      0.00000
      9      11.8829      0.00000
     10      13.0876      0.00000
     11      13.6652      0.00000
     12      14.1086      0.00000

 k-point   497 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.7943      2.00000
      2       1.3654      2.00000
      3       2.1881      2.00000
      4       2.7660      2.00000
      5       4.3114      2.00000
      6       5.2257      1.99994
      7       6.7138      0.02148
      8       9.3481      0.00000
      9      13.2352      0.00000
     10      13.6902      0.00000
     11      14.6089      0.00000
     12      14.7890      0.00000

 k-point   498 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.3560      2.00000
      2       1.4836      2.00000
      3       1.8888      2.00000
      4       2.8666      2.00000
      5       3.8971      2.00000
      6       5.0062      1.99999
      7       6.0229      1.83167
      8       8.7409      0.00000
      9      13.8422      0.00000
     10      14.6260      0.00000
     11      14.8565      0.00000
     12      15.4933      0.00000

 k-point   499 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1       0.0455      2.00000
      2       1.0168      2.00000
      3       2.1626      2.00000
      4       3.1022      2.00000
      5       3.5385      2.00000
      6       4.8486      2.00000
      7       5.6577      1.99524
      8       8.3402      0.00000
      9      13.9547      0.00000
     10      14.7275      0.00000
     11      15.1670      0.00000
     12      15.7514      0.00000

 k-point   500 :      -0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.0798      2.00000
      2       1.1715      2.00000
      3       2.1050      2.00000
      4       3.3281      2.00000
      5       3.5488      2.00000
      6       4.7472      2.00000
      7       5.5837      1.99773
      8       8.2185      0.00000
      9      13.6052      0.00000
     10      14.8903      0.00000
     11      15.2797      0.00000
     12      15.6207      0.00000

 k-point   501 :      -0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.5251      2.00000
      2       1.5515      2.00000
      3       2.0302      2.00000
      4       3.1288      2.00000
      5       4.1172      2.00000
      6       4.8896      2.00000
      7       5.6886      1.99352
      8       8.4024      0.00000
      9      13.2064      0.00000
     10      14.2568      0.00000
     11      14.9671      0.00000
     12      15.1550      0.00000

 k-point   502 :      -0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.9391      2.00000
      2       1.2744      2.00000
      3       2.6626      2.00000
      4       2.8689      2.00000
      5       4.7067      2.00000
      6       5.1173      1.99998
      7       6.1520      1.49903
      8       8.8399      0.00000
      9      12.7434      0.00000
     10      12.9419      0.00000
     11      14.4550      0.00000
     12      14.5629      0.00000

 k-point   503 :      -0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.2689      2.00000
      2       0.9750      2.00000
      3       2.4328      2.00000
      4       3.6324      2.00000
      5       4.7414      2.00000
      6       5.9369      1.92511
      7       6.8880      0.00380
      8       9.4446      0.00000
      9      11.3378      0.00000
     10      12.4964      0.00000
     11      13.4555      0.00000
     12      14.2091      0.00000

 k-point   504 :      -0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5029      2.00000
      2       0.7518      2.00000
      3       2.1787      2.00000
      4       4.2089      2.00000
      5       5.0354      1.99999
      6       6.9303      0.00249
      7       7.7523      0.00000
      8       9.7364      0.00000
      9      10.3656      0.00000
     10      11.7741      0.00000
     11      12.7736      0.00000
     12      13.6619      0.00000

 k-point   505 :      -0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6368      2.00000
      2       0.6189      2.00000
      3       2.0048      2.00000
      4       4.2473      2.00000
      5       5.8807      1.95659
      6       7.9372      0.00000
      7       8.4961      0.00000
      8       8.7950      0.00000
      9      10.5616      0.00000
     10      11.2515      0.00000
     11      12.5658      0.00000
     12      12.6297      0.00000

 k-point   506 :      -0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.3504      2.00000
      2       1.5839      2.00000
      3       2.5012      2.00000
      4       2.6426      2.00000
      5       3.3397      2.00000
      6       4.1888      2.00000
      7       4.7388      2.00000
      8       7.8038      0.00000
      9      15.0803      0.00000
     10      15.4888      0.00000
     11      16.2241      0.00000
     12      16.6017      0.00000

 k-point   507 :      -0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.1082      2.00000
      2       1.9618      2.00000
      3       2.2663      2.00000
      4       2.4622      2.00000
      5       3.9391      2.00000
      6       4.3190      2.00000
      7       5.0138      1.99999
      8       7.9913      0.00000
      9      14.6563      0.00000
     10      14.6779      0.00000
     11      15.5301      0.00000
     12      15.9764      0.00000

 k-point   508 :      -0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.5241      2.00000
      2       1.5538      2.00000
      3       2.0325      2.00000
      4       3.1254      2.00000
      5       4.1184      2.00000
      6       4.8869      2.00000
      7       5.6867      1.99365
      8       8.4009      0.00000
      9      13.1842      0.00000
     10      14.2721      0.00000
     11      14.9628      0.00000
     12      15.1549      0.00000

 k-point   509 :      -0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.8531      2.00000
      2       1.1980      2.00000
      3       1.7381      2.00000
      4       3.6573      2.00000
      5       4.3873      2.00000
      6       5.7881      1.98258
      7       6.5351      0.12179
      8       8.9696      0.00000
      9      11.6888      0.00000
     10      13.4848      0.00000
     11      14.1905      0.00000
     12      14.4900      0.00000

 k-point   510 :      -0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0854      2.00000
      2       0.9370      2.00000
      3       1.5076      2.00000
      4       3.6438      2.00000
      5       5.2862      1.99988
      6       6.7808      0.01106
      7       7.4818      0.00001
      8       9.5633      0.00000
      9      10.3593      0.00000
     10      12.2183      0.00000
     11      13.1993      0.00000
     12      14.0210      0.00000

 k-point   511 :      -0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2171      2.00000
      2       0.7762      2.00000
      3       1.3586      2.00000
      4       3.5671      2.00000
      5       6.2733      0.94151
      6       7.8001      0.00000
      7       8.4236      0.00000
      8       8.9791      0.00000
      9      10.3587      0.00000
     10      11.0776      0.00000
     11      12.0304      0.00000
     12      13.9049      0.00000

 k-point   512 :      -0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.8374      2.00000
      2       1.7998      2.00000
      3       2.0672      2.00000
      4       2.8712      2.00000
      5       3.1325      2.00000
      6       3.9911      2.00000
      7       4.1245      2.00000
      8       7.5921      0.00000
      9      15.8036      0.00000
     10      16.5114      0.00000
     11      16.6074      0.00000
     12      16.7075      0.00000

 k-point   513 :      -0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.3517      2.00000
      2       1.5851      2.00000
      3       2.5023      2.00000
      4       2.6413      2.00000
      5       3.3392      2.00000
      6       4.1874      2.00000
      7       4.7379      2.00000
      8       7.8029      0.00000
      9      15.0620      0.00000
     10      15.4896      0.00000
     11      16.2192      0.00000
     12      16.6148      0.00000

 k-point   514 :      -0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0775      2.00000
      2       1.1737      2.00000
      3       2.1074      2.00000
      4       3.3271      2.00000
      5       3.5465      2.00000
      6       4.7440      2.00000
      7       5.5812      1.99778
      8       8.2161      0.00000
      9      13.5837      0.00000
     10      14.8851      0.00000
     11      15.2732      0.00000
     12      15.6058      0.00000

 k-point   515 :      -0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4159      2.00000
      2       0.8228      2.00000
      3       1.7783      2.00000
      4       3.2728      2.00000
      5       4.4647      2.00000
      6       5.5704      1.99801
      7       6.5238      0.13547
      8       8.7794      0.00000
      9      12.0833      0.00000
     10      13.6300      0.00000
     11      14.2215      0.00000
     12      14.8131      0.00000

 k-point   516 :      -0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6559      2.00000
      2       0.5602      2.00000
      3       1.5371      2.00000
      4       3.1751      2.00000
      5       5.4935      1.99908
      6       6.5160      0.14557
      7       7.5448      0.00001
      8       9.4101      0.00000
      9      10.6899      0.00000
     10      12.2170      0.00000
     11      12.8905      0.00000
     12      14.5517      0.00000

 k-point   517 :      -0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7947      2.00000
      2       0.3939      2.00000
      3       1.3917      2.00000
      4       3.1023      2.00000
      5       6.5429      0.11323
      6       7.4629      0.00001
      7       8.5837      0.00000
      8       9.3648      0.00000
      9      10.1219      0.00000
     10      10.8938      0.00000
     11      11.7386      0.00000
     12      13.9974      0.00000

 k-point   518 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.1201      2.00000
      2      -0.6070      2.00000
      3       5.7763      1.98451
      4       6.1187      1.61325
      5       6.9964      0.00129
      6       7.1172      0.00038
      7       7.4193      0.00002
      8       7.4327      0.00002
      9       8.1163      0.00000
     10      11.2691      0.00000
     11      13.6653      0.00000
     12      14.0321      0.00000

 k-point   519 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5644      2.00000
      3       5.2209      1.99994
      4       6.0204      1.83537
      5       6.3482      0.59202
      6       7.1012      0.00045
      7       7.6403      0.00000
      8       8.1333      0.00000
      9       8.6842      0.00000
     10      11.4360      0.00000
     11      12.7812      0.00000
     12      14.1476      0.00000

 k-point   520 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9101      2.00000
      2      -0.4381      2.00000
      3       4.1741      2.00000
      4       5.4032      1.99963
      5       6.1518      1.49959
      6       7.2410      0.00011
      7       7.8315      0.00000
      8       8.9819      0.00000
      9       9.8335      0.00000
     10      11.7082      0.00000
     11      11.9880      0.00000
     12      13.2399      0.00000

 k-point   521 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6492      2.00000
      2      -0.2341      2.00000
      3       3.1413      2.00000
      4       4.5153      2.00000
      5       6.3757      0.48417
      6       7.4757      0.00001
      7       8.1034      0.00000
      8       9.4841      0.00000
      9      10.7534      0.00000
     10      11.2560      0.00000
     11      12.1934      0.00000
     12      12.6862      0.00000

 k-point   522 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.2878      2.00000
      2       0.0330      2.00000
      3       2.1878      2.00000
      4       3.7201      2.00000
      5       6.6928      0.02644
      6       7.7962      0.00000
      7       8.4673      0.00000
      8       9.7242      0.00000
      9       9.9142      0.00000
     10      11.3712      0.00000
     11      11.8670      0.00000
     12      12.8018      0.00000

 k-point   523 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.8357      2.00000
      2       0.3245      2.00000
      3       1.3400      2.00000
      4       3.0687      2.00000
      5       7.0918      0.00050
      6       8.1800      0.00000
      7       8.8434      0.00000
      8       9.1678      0.00000
      9       9.8682      0.00000
     10      10.6910      0.00000
     11      11.0827      0.00000
     12      13.5119      0.00000

 k-point   524 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.3503      2.00000
      2       0.5017      2.00000
      3       0.7035      2.00000
      4       2.6626      2.00000
      5       7.5179      0.00001
      6       8.4104      0.00000
      7       8.5544      0.00000
      8       9.4538      0.00000
      9       9.7345      0.00000
     10      10.2296      0.00000
     11      10.5626      0.00000
     12      13.3904      0.00000

 k-point   525 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0674      2.00000
      2      -0.5643      2.00000
      3       5.2324      1.99993
      4       6.0089      1.85194
      5       6.3564      0.55855
      6       7.0889      0.00051
      7       7.6241      0.00000
      8       8.1422      0.00000
      9       8.6933      0.00000
     10      11.4388      0.00000
     11      12.7804      0.00000
     12      14.1291      0.00000

 k-point   526 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0096      2.00000
      2      -0.5183      2.00000
      3       5.1288      1.99998
      4       5.3779      1.99971
      5       6.1447      1.52565
      6       6.7047      0.02353
      7       8.4409      0.00000
      8       8.4606      0.00000
      9       9.1053      0.00000
     10      11.6207      0.00000
     11      12.8433      0.00000
     12      13.7641      0.00000

 k-point   527 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8471      2.00000
      2      -0.3883      2.00000
      3       4.1686      2.00000
      4       5.2696      1.99990
      5       5.4606      1.99934
      6       6.7148      0.02128
      7       8.7185      0.00000
      8       9.5649      0.00000
      9      10.0164      0.00000
     10      11.7659      0.00000
     11      12.1208      0.00000
     12      13.3006      0.00000

 k-point   528 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.5812      2.00000
      2      -0.1803      2.00000
      3       3.1414      2.00000
      4       4.4840      2.00000
      5       5.5794      1.99782
      6       6.8923      0.00364
      7       9.0314      0.00000
      8      10.2013      0.00000
      9      10.7377      0.00000
     10      11.3860      0.00000
     11      12.1548      0.00000
     12      12.7006      0.00000

 k-point   529 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2152      2.00000
      2       0.0907      2.00000
      3       2.1933      2.00000
      4       3.7069      2.00000
      5       5.8655      1.96260
      6       7.1517      0.00027
      7       9.4038      0.00000
      8       9.8023      0.00000
      9      10.5718      0.00000
     10      11.2555      0.00000
     11      11.9574      0.00000
     12      12.9303      0.00000

 k-point   530 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.7594      2.00000
      2       0.3849      2.00000
      3       1.3517      2.00000
      4       3.0668      2.00000
      5       6.2459      1.07820
      6       7.4630      0.00001
      7       8.9040      0.00000
      8       9.9126      0.00000
      9      10.4542      0.00000
     10      10.7961      0.00000
     11      11.2686      0.00000
     12      13.7185      0.00000

 k-point   531 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.2782      2.00000
      2       0.5503      2.00000
      3       0.7387      2.00000
      4       2.6740      2.00000
      5       6.6959      0.02566
      6       7.7558      0.00000
      7       8.1887      0.00000
      8       9.8360      0.00000
      9      10.2223      0.00000
     10      10.7876      0.00000
     11      11.0105      0.00000
     12      13.7137      0.00000

 k-point   532 :      -0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.3193      2.00000
      2       0.5559      2.00000
      3       0.7732      2.00000
      4       2.6933      2.00000
      5       7.0190      0.00103
      6       7.7324      0.00000
      7       7.9318      0.00000
      8       9.5338      0.00000
      9       9.8793      0.00000
     10      10.8696      0.00000
     11      11.4122      0.00000
     12      13.8613      0.00000

 k-point   533 :      -0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.8078      2.00000
      2       0.3627      2.00000
      3       1.4295      2.00000
      4       3.1139      2.00000
      5       6.7022      0.02411
      6       7.7191      0.00000
      7       8.1905      0.00000
      8       9.3158      0.00000
      9       9.7925      0.00000
     10      10.8489      0.00000
     11      12.1306      0.00000
     12      14.1142      0.00000

 k-point   534 :      -0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2558      2.00000
      2       0.0684      2.00000
      3       2.2823      2.00000
      4       3.7684      2.00000
      5       6.2613      1.00109
      6       7.4094      0.00002
      7       8.9178      0.00000
      8       8.9606      0.00000
      9       9.9951      0.00000
     10      10.9561      0.00000
     11      12.7640      0.00000
     12      12.9774      0.00000

 k-point   535 :      -0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.6122      2.00000
      2      -0.1984      2.00000
      3       3.2381      2.00000
      4       4.5483      2.00000
      5       5.8961      1.94957
      6       7.1140      0.00040
      7       8.6637      0.00000
      8       9.7222      0.00000
      9       9.9181      0.00000
     10      11.1849      0.00000
     11      11.4727      0.00000
     12      13.1867      0.00000

 k-point   536 :      -0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8679      2.00000
      2      -0.4007      2.00000
      3       4.2677      2.00000
      4       5.3107      1.99985
      5       5.7079      1.99215
      6       6.9032      0.00326
      7       8.4525      0.00000
      8       9.2989      0.00000
      9       9.8846      0.00000
     10      10.7402      0.00000
     11      11.7322      0.00000
     12      12.7936      0.00000

 k-point   537 :      -0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0201      2.00000
      2      -0.5246      2.00000
      3       5.2055      1.99995
      4       5.4680      1.99928
      5       6.2218      1.19621
      6       6.8862      0.00387
      7       8.2178      0.00000
      8       8.3415      0.00000
      9       8.9844      0.00000
     10      11.4673      0.00000
     11      11.8233      0.00000
     12      13.3778      0.00000

 k-point   538 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.9097      2.00000
      2      -0.4376      2.00000
      3       4.1848      2.00000
      4       5.4108      1.99960
      5       6.1391      1.54562
      6       7.2290      0.00013
      7       7.8140      0.00000
      8       8.9794      0.00000
      9       9.8522      0.00000
     10      11.7066      0.00000
     11      11.9967      0.00000
     12      13.2386      0.00000

 k-point   539 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8468      2.00000
      2      -0.3879      2.00000
      3       4.1790      2.00000
      4       5.2676      1.99990
      5       5.4570      1.99936
      6       6.7063      0.02315
      7       8.7004      0.00000
      8       9.5673      0.00000
      9      10.0294      0.00000
     10      11.7649      0.00000
     11      12.1280      0.00000
     12      13.2996      0.00000

 k-point   540 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.6793      2.00000
      2      -0.2530      2.00000
      3       4.1628      2.00000
      4       4.3877      2.00000
      5       5.1117      1.99998
      6       6.1935      1.32787
      7       9.9984      0.00000
      8      10.0697      0.00000
      9      10.7137      0.00000
     10      10.8112      0.00000
     11      12.0301      0.00000
     12      12.9887      0.00000

 k-point   541 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4087      2.00000
      2      -0.0385      2.00000
      3       3.2358      2.00000
      4       4.3425      2.00000
      5       4.6158      2.00000
      6       6.1197      1.61025
      7       9.7487      0.00000
      8      10.3932      0.00000
      9      11.2179      0.00000
     10      11.3500      0.00000
     11      11.7317      0.00000
     12      13.5217      0.00000

 k-point   542 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.0383      2.00000
      2       0.2406      2.00000
      3       2.2978      2.00000
      4       3.7138      2.00000
      5       4.8159      2.00000
      6       6.2686      0.96467
      7       8.7978      0.00000
      8      10.4385      0.00000
      9      10.8440      0.00000
     10      11.8637      0.00000
     11      13.0746      0.00000
     12      13.1749      0.00000

 k-point   543 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.5793      2.00000
      2       0.5437      2.00000
      3       1.4643      2.00000
      4       3.1023      2.00000
      5       5.1927      1.99995
      6       6.4944      0.17762
      7       7.9336      0.00000
      8       9.7752      0.00000
      9      11.2744      0.00000
     10      12.1071      0.00000
     11      12.4560      0.00000
     12      14.5565      0.00000

 k-point   544 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.1035      2.00000
      2       0.7013      2.00000
      3       0.8792      2.00000
      4       2.7237      2.00000
      5       5.6455      1.99579
      6       6.7042      0.02363
      7       7.1976      0.00017
      8       9.2751      0.00000
      9      11.4733      0.00000
     10      12.1020      0.00000
     11      12.2919      0.00000
     12      14.6123      0.00000

 k-point   545 :      -0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.1853      2.00000
      2       0.7127      2.00000
      3       0.9463      2.00000
      4       2.7642      2.00000
      5       5.9835      1.88318
      6       6.6899      0.02723
      7       6.8718      0.00446
      8       9.0782      0.00000
      9      11.0644      0.00000
     10      12.0736      0.00000
     11      12.7494      0.00000
     12      14.8463      0.00000

 k-point   546 :      -0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.6757      2.00000
      2       0.4983      2.00000
      3       1.6193      2.00000
      4       3.1995      2.00000
      5       5.6776      1.99420
      6       6.7016      0.02424
      7       7.1647      0.00024
      8       9.2573      0.00000
      9      10.6277      0.00000
     10      11.8429      0.00000
     11      13.4749      0.00000
     12      14.4285      0.00000

 k-point   547 :      -0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.1193      2.00000
      2       0.1955      2.00000
      3       2.4751      2.00000
      4       3.8397      2.00000
      5       5.2385      1.99993
      6       6.5018      0.16591
      7       7.8990      0.00000
      8       9.7121      0.00000
      9      10.2793      0.00000
     10      11.4963      0.00000
     11      12.8672      0.00000
     12      14.2691      0.00000

 k-point   548 :      -0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4704      2.00000
      2      -0.0746      2.00000
      3       3.4280      2.00000
      4       4.4839      2.00000
      5       4.9499      2.00000
      6       6.3308      0.66679
      7       8.7627      0.00000
      8       9.9204      0.00000
      9      10.4153      0.00000
     10      10.9083      0.00000
     11      11.4392      0.00000
     12      13.4527      0.00000

 k-point   549 :      -0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7208      2.00000
      2      -0.2775      2.00000
      3       4.3574      2.00000
      4       4.5648      2.00000
      5       5.3032      1.99986
      6       6.3901      0.43333
      7       9.6211      0.00000
      8       9.7309      0.00000
      9       9.7909      0.00000
     10      10.4337      0.00000
     11      11.1491      0.00000
     12      12.8558      0.00000

 k-point   550 :      -0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8676      2.00000
      2      -0.4003      2.00000
      3       4.2781      2.00000
      4       5.3115      1.99985
      5       5.7018      1.99261
      6       6.8944      0.00356
      7       8.4347      0.00000
      8       9.3000      0.00000
      9       9.8987      0.00000
     10      10.7387      0.00000
     11      11.7374      0.00000
     12      12.7952      0.00000

 k-point   551 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6482      2.00000
      2      -0.2329      2.00000
      3       3.1503      2.00000
      4       4.5213      2.00000
      5       6.3633      0.53088
      6       7.4642      0.00001
      7       8.0861      0.00000
      8       9.4748      0.00000
      9      10.7490      0.00000
     10      11.2789      0.00000
     11      12.1914      0.00000
     12      12.6816      0.00000

 k-point   552 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.5804      2.00000
      2      -0.1793      2.00000
      3       3.1503      2.00000
      4       4.4895      2.00000
      5       5.5679      1.99806
      6       6.8829      0.00400
      7       9.0133      0.00000
      8      10.1910      0.00000
      9      10.7345      0.00000
     10      11.4083      0.00000
     11      12.1538      0.00000
     12      12.6928      0.00000

 k-point   553 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4082      2.00000
      2      -0.0378      2.00000
      3       3.2443      2.00000
      4       4.3410      2.00000
      5       4.6114      2.00000
      6       6.1141      1.62759
      7       9.7467      0.00000
      8      10.3737      0.00000
      9      11.2083      0.00000
     10      11.3583      0.00000
     11      11.7461      0.00000
     12      13.5307      0.00000

 k-point   554 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.1331      2.00000
      2       0.1860      2.00000
      3       3.3237      2.00000
      4       3.5607      2.00000
      5       4.2650      2.00000
      6       5.5907      1.99756
      7       8.7325      0.00000
      8      10.4492      0.00000
      9      11.7786      0.00000
     10      11.9822      0.00000
     11      12.5147      0.00000
     12      14.1041      0.00000

 k-point   555 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.7588      2.00000
      2       0.4781      2.00000
      3       2.4960      2.00000
      4       3.6099      2.00000
      5       3.9053      2.00000
      6       5.4721      1.99925
      7       7.7725      0.00000
      8       9.6891      0.00000
      9      12.2955      0.00000
     10      13.1554      0.00000
     11      13.5246      0.00000
     12      14.3416      0.00000

 k-point   556 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.2968      2.00000
      2       0.7984      2.00000
      3       1.6752      2.00000
      4       3.1541      2.00000
      5       4.1917      2.00000
      6       5.5664      1.99809
      7       6.9056      0.00319
      8       9.0596      0.00000
      9      12.7547      0.00000
     10      13.5273      0.00000
     11      13.8240      0.00000
     12      15.0466      0.00000

 k-point   557 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.1726      2.00000
      2       0.9530      2.00000
      3       1.1243      2.00000
      4       2.8012      2.00000
      5       4.6396      2.00000
      6       5.6884      1.99353
      7       6.1708      1.42505
      8       8.6305      0.00000
      9      12.9069      0.00000
     10      13.5479      0.00000
     11      13.7246      0.00000
     12      15.7868      0.00000

 k-point   558 :      -0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.0511      2.00000
      2       0.9709      2.00000
      3       1.2201      2.00000
      4       2.8672      2.00000
      5       4.9606      2.00000
      6       5.6642      1.99492
      7       5.8389      1.97123
      8       8.4828      0.00000
      9      12.4886      0.00000
     10      13.4608      0.00000
     11      14.2051      0.00000
     12      15.9790      0.00000

 k-point   559 :      -0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.4405      2.00000
      2       0.7275      2.00000
      3       1.9066      2.00000
      4       3.3101      2.00000
      5       4.6492      2.00000
      6       5.6900      1.99343
      7       6.1834      1.37198
      8       8.6550      0.00000
      9      12.0583      0.00000
     10      13.1392      0.00000
     11      14.5803      0.00000
     12      14.9256      0.00000

 k-point   560 :      -0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.8793      2.00000
      2       0.4101      2.00000
      3       2.7609      2.00000
      4       3.8256      2.00000
      5       4.2933      2.00000
      6       5.6178      1.99680
      7       6.9261      0.00260
      8       9.0932      0.00000
      9      11.6956      0.00000
     10      12.5986      0.00000
     11      13.0993      0.00000
     12      14.7802      0.00000

 k-point   561 :      -0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2250      2.00000
      2       0.1325      2.00000
      3       3.6247      2.00000
      4       3.7970      2.00000
      5       4.5404      2.00000
      6       5.7474      1.98837
      7       7.7981      0.00000
      8       9.7088      0.00000
      9      11.3204      0.00000
     10      11.4437      0.00000
     11      12.0848      0.00000
     12      13.9214      0.00000

 k-point   562 :      -0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4699      2.00000
      2      -0.0739      2.00000
      3       3.4364      2.00000
      4       4.4844      2.00000
      5       4.9439      2.00000
      6       6.3250      0.69309
      7       8.7608      0.00000
      8       9.9015      0.00000
      9      10.4088      0.00000
     10      10.9126      0.00000
     11      11.4548      0.00000
     12      13.4627      0.00000

 k-point   563 :      -0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6114      2.00000
      2      -0.1973      2.00000
      3       3.2469      2.00000
      4       4.5538      2.00000
      5       5.8849      1.95478
      6       7.1043      0.00044
      7       8.6456      0.00000
      8       9.7156      0.00000
      9       9.9110      0.00000
     10      11.2025      0.00000
     11      11.4780      0.00000
     12      13.1998      0.00000

 k-point   564 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2862      2.00000
      2       0.0351      2.00000
      3       2.1952      2.00000
      4       3.7244      2.00000
      5       6.6811      0.02967
      6       7.7854      0.00000
      7       8.4507      0.00000
      8       9.7131      0.00000
      9       9.9068      0.00000
     10      11.3655      0.00000
     11      11.8568      0.00000
     12      12.8271      0.00000

 k-point   565 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2136      2.00000
      2       0.0928      2.00000
      3       2.2005      2.00000
      4       3.7110      2.00000
      5       5.8546      1.96642
      6       7.1425      0.00030
      7       9.3874      0.00000
      8       9.7962      0.00000
      9      10.5581      0.00000
     10      11.2510      0.00000
     11      11.9457      0.00000
     12      12.9556      0.00000

 k-point   566 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0371      2.00000
      2       0.2423      2.00000
      3       2.3046      2.00000
      4       3.7171      2.00000
      5       4.8068      2.00000
      6       6.2620      0.99803
      7       8.7944      0.00000
      8      10.4329      0.00000
      9      10.8262      0.00000
     10      11.8505      0.00000
     11      13.0627      0.00000
     12      13.1989      0.00000

 k-point   567 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.7581      2.00000
      2       0.4791      2.00000
      3       2.5022      2.00000
      4       3.6082      2.00000
      5       3.9018      2.00000
      6       5.4685      1.99928
      7       7.7708      0.00000
      8       9.6873      0.00000
      9      12.2744      0.00000
     10      13.1465      0.00000
     11      13.5454      0.00000
     12      14.3287      0.00000

 k-point   568 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.3802      2.00000
      2       0.7911      2.00000
      3       2.6760      2.00000
      4       2.9366      2.00000
      5       3.6246      2.00000
      6       4.9355      2.00000
      7       6.8098      0.00829
      8       8.9845      0.00000
      9      13.6961      0.00000
     10      14.0190      0.00000
     11      14.3855      0.00000
     12      15.2638      0.00000

 k-point   569 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.0844      2.00000
      2       1.1410      2.00000
      3       1.9760      2.00000
      4       3.0905      2.00000
      5       3.3826      2.00000
      6       4.7587      2.00000
      7       5.9442      1.91965
      8       8.4236      0.00000
      9      14.2917      0.00000
     10      14.9320      0.00000
     11      15.2139      0.00000
     12      15.4640      0.00000

 k-point   570 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.5473      2.00000
      2       1.3013      2.00000
      3       1.4712      2.00000
      4       2.8826      2.00000
      5       3.7263      2.00000
      6       4.7536      2.00000
      7       5.2163      1.99994
      8       8.0634      0.00000
      9      14.4128      0.00000
     10      15.0383      0.00000
     11      15.2022      0.00000
     12      16.5154      0.00000

 k-point   571 :      -0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.3877      2.00000
      2       1.3274      2.00000
      3       1.5877      2.00000
      4       2.9875      2.00000
      5       4.0152      2.00000
      6       4.7212      2.00000
      7       4.8877      2.00000
      8       7.9582      0.00000
      9      14.0026      0.00000
     10      14.9071      0.00000
     11      15.6944      0.00000
     12      16.2291      0.00000

 k-point   572 :      -0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.1043      2.00000
      2       1.0425      2.00000
      3       2.2829      2.00000
      4       3.3513      2.00000
      5       3.7745      2.00000
      6       4.7705      2.00000
      7       5.2914      1.99988
      8       8.1248      0.00000
      9      13.5842      0.00000
     10      14.4551      0.00000
     11      14.8795      0.00000
     12      16.2777      0.00000

 k-point   573 :      -0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.5383      2.00000
      2       0.7019      2.00000
      3       3.0573      2.00000
      4       3.2088      2.00000
      5       3.9612      2.00000
      6       4.9751      1.99999
      7       6.0439      1.79624
      8       8.5246      0.00000
      9      13.1652      0.00000
     10      13.2421      0.00000
     11      13.8773      0.00000
     12      15.3167      0.00000

 k-point   574 :      -0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.8786      2.00000
      2       0.4111      2.00000
      3       2.7672      2.00000
      4       3.8255      2.00000
      5       4.2887      2.00000
      6       5.6139      1.99693
      7       6.9243      0.00264
      8       9.0912      0.00000
      9      11.6740      0.00000
     10      12.5945      0.00000
     11      13.1174      0.00000
     12      14.7944      0.00000

 k-point   575 :      -0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1181      2.00000
      2       0.1971      2.00000
      3       2.4820      2.00000
      4       3.8431      2.00000
      5       5.2296      1.99993
      6       6.4951      0.17647
      7       7.8954      0.00000
      8       9.7061      0.00000
      9      10.2608      0.00000
     10      11.4855      0.00000
     11      12.8919      0.00000
     12      14.2590      0.00000

 k-point   576 :      -0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2543      2.00000
      2       0.0704      2.00000
      3       2.2895      2.00000
      4       3.7725      2.00000
      5       6.2507      1.05448
      6       7.4002      0.00002
      7       8.9103      0.00000
      8       8.9450      0.00000
      9       9.9830      0.00000
     10      10.9512      0.00000
     11      12.7846      0.00000
     12      12.9712      0.00000

 k-point   577 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8332      2.00000
      2       0.3279      2.00000
      3       1.3457      2.00000
      4       3.0712      2.00000
      5       7.0811      0.00055
      6       8.1704      0.00000
      7       8.8298      0.00000
      8       9.1576      0.00000
      9       9.8560      0.00000
     10      10.6822      0.00000
     11      11.0708      0.00000
     12      13.5039      0.00000

 k-point   578 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7569      2.00000
      2       0.3883      2.00000
      3       1.3573      2.00000
      4       3.0691      2.00000
      5       6.2358      1.12817
      6       7.4545      0.00001
      7       8.8972      0.00000
      8       9.8963      0.00000
      9      10.4474      0.00000
     10      10.7817      0.00000
     11      11.2551      0.00000
     12      13.7092      0.00000

 k-point   579 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.5771      2.00000
      2       0.5467      2.00000
      3       1.4695      2.00000
      4       3.1042      2.00000
      5       5.1843      1.99996
      6       6.4879      0.18840
      7       7.9286      0.00000
      8       9.7701      0.00000
      9      11.2561      0.00000
     10      12.0912      0.00000
     11      12.4408      0.00000
     12      14.5493      0.00000

 k-point   580 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.2951      2.00000
      2       0.8008      2.00000
      3       1.6799      2.00000
      4       3.1553      2.00000
      5       4.1852      2.00000
      6       5.5621      1.99817
      7       6.9023      0.00329
      8       9.0565      0.00000
      9      12.7343      0.00000
     10      13.5100      0.00000
     11      13.8070      0.00000
     12      15.0724      0.00000

 k-point   581 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.0854      2.00000
      2       1.1425      2.00000
      3       1.9799      2.00000
      4       3.0888      2.00000
      5       3.3801      2.00000
      6       4.7566      2.00000
      7       5.9426      1.92085
      8       8.4222      0.00000
      9      14.2705      0.00000
     10      14.9161      0.00000
     11      15.1980      0.00000
     12      15.4874      0.00000

 k-point   582 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.5524      2.00000
      2       1.5443      2.00000
      3       2.2379      2.00000
      4       2.5326      2.00000
      5       3.1960      2.00000
      6       4.1771      2.00000
      7       5.0824      1.99998
      8       7.9335      0.00000
      9      15.6222      0.00000
     10      16.0130      0.00000
     11      16.0908      0.00000
     12      16.3090      0.00000

 k-point   583 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       1.0122      2.00000
      2       1.7288      2.00000
      3       1.9100      2.00000
      4       2.8123      2.00000
      5       3.0581      2.00000
      6       3.9234      2.00000
      7       4.3684      2.00000
      8       7.6395      0.00000
      9      15.8979      0.00000
     10      16.4717      0.00000
     11      16.6072      0.00000
     12      16.9479      0.00000

 k-point   584 :      -0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.8191      2.00000
      2       1.7725      2.00000
      3       2.0252      2.00000
      4       3.0638      2.00000
      5       3.2153      2.00000
      6       3.8883      2.00000
      7       4.0390      2.00000
      8       7.5758      0.00000
      9      15.5435      0.00000
     10      16.3053      0.00000
     11      16.5730      0.00000
     12      17.1028      0.00000

 k-point   585 :      -0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.3263      2.00000
      2       1.4218      2.00000
      3       2.6510      2.00000
      4       2.8124      2.00000
      5       3.5729      2.00000
      6       4.0408      2.00000
      7       4.5227      2.00000
      8       7.7473      0.00000
      9      15.1147      0.00000
     10      15.1386      0.00000
     11      15.7313      0.00000
     12      16.8802      0.00000

 k-point   586 :      -0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.1034      2.00000
      2       1.0438      2.00000
      3       2.2869      2.00000
      4       3.3507      2.00000
      5       3.7716      2.00000
      6       4.7681      2.00000
      7       5.2897      1.99988
      8       8.1233      0.00000
      9      13.5609      0.00000
     10      14.4462      0.00000
     11      14.8999      0.00000
     12      16.2698      0.00000

 k-point   587 :      -0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.4388      2.00000
      2       0.7298      2.00000
      3       1.9113      2.00000
      4       3.3116      2.00000
      5       4.6430      2.00000
      6       5.6856      1.99371
      7       6.1800      1.38675
      8       8.6516      0.00000
      9      12.0372      0.00000
     10      13.1234      0.00000
     11      14.6049      0.00000
     12      14.9110      0.00000

 k-point   588 :      -0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.6736      2.00000
      2       0.5012      2.00000
      3       1.6246      2.00000
      4       3.2016      2.00000
      5       5.6696      1.99464
      6       6.6952      0.02582
      7       7.1594      0.00025
      8       9.2513      0.00000
      9      10.6090      0.00000
     10      11.8284      0.00000
     11      13.4600      0.00000
     12      14.4555      0.00000

 k-point   589 :      -0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8053      2.00000
      2       0.3660      2.00000
      3       1.4351      2.00000
      4       3.1163      2.00000
      5       6.6925      0.02652
      6       7.7109      0.00000
      7       8.1834      0.00000
      8       9.2995      0.00000
      9       9.7822      0.00000
     10      10.8380      0.00000
     11      12.1175      0.00000
     12      14.1091      0.00000

 k-point   590 :      -0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.3180      2.00000
      2       2.2189      2.00000
      3       2.3084      2.00000
      4       2.6130      2.00000
      5       3.1089      2.00000
      6       3.3385      2.00000
      7       3.3783      2.00000
      8       7.3816      0.00003
      9      16.9265      0.00000
     10      16.9556      0.00000
     11      17.4315      0.00000
     12      17.8640      0.00000

 k-point   591 :      -0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.8203      2.00000
      2       1.7743      2.00000
      3       2.0267      2.00000
      4       3.0626      2.00000
      5       3.2143      2.00000
      6       3.8862      2.00000
      7       4.0382      2.00000
      8       7.5749      0.00000
      9      15.5201      0.00000
     10      16.2913      0.00000
     11      16.5910      0.00000
     12      17.0895      0.00000

 k-point   592 :      -0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.3899      2.00000
      2       1.3302      2.00000
      3       1.5903      2.00000
      4       2.9871      2.00000
      5       4.0122      2.00000
      6       4.7175      2.00000
      7       4.8853      2.00000
      8       7.9559      0.00000
      9      13.9803      0.00000
     10      14.8886      0.00000
     11      15.6751      0.00000
     12      16.2501      0.00000

 k-point   593 :      -0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.0540      2.00000
      2       0.9745      2.00000
      3       1.2235      2.00000
      4       2.8673      2.00000
      5       4.9558      2.00000
      6       5.6587      1.99520
      7       5.8348      1.97237
      8       8.4787      0.00000
      9      12.4685      0.00000
     10      13.4433      0.00000
     11      14.1865      0.00000
     12      15.9788      0.00000

 k-point   594 :      -0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1819      2.00000
      2       0.7168      2.00000
      3       0.9503      2.00000
      4       2.7646      2.00000
      5       5.9771      1.89007
      6       6.6825      0.02927
      7       6.8660      0.00473
      8       9.0717      0.00000
      9      11.0466      0.00000
     10      12.0579      0.00000
     11      12.7329      0.00000
     12      14.8318      0.00000

 k-point   595 :      -0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3156      2.00000
      2       0.5603      2.00000
      3       0.7775      2.00000
      4       2.6941      2.00000
      5       7.0110      0.00111
      6       7.7233      0.00000
      7       7.9244      0.00000
      8       9.5235      0.00000
      9       9.8645      0.00000
     10      10.8560      0.00000
     11      11.3978      0.00000
     12      13.8492      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000   0.000
  5.264  22.372  -0.000  -0.000   0.000
 -0.000  -0.000  -0.285  -0.000  -0.000
 -0.000  -0.000  -0.000  -0.285  -0.000
  0.000   0.000  -0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.081  -0.022   0.000   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.094   0.000   0.006
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000   0.006   0.000   0.094


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.2845: real time    0.2845
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.5865: real time    0.5865
    STRESS:  cpu time    7.0428: real time    7.0495
    FORCOR:  cpu time    0.0449: real time    0.0449
    FORHAR:  cpu time    0.0123: real time    0.0123
    MIXING:  cpu time    0.0043: real time    0.0043
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.18437   -72.35001   -72.47739     1.92034     0.00000     0.00000
  Hartree     1.12717     1.14420     1.12976    -0.06845    -0.00000    -0.00000
  E(xc)     -27.43457   -27.42840   -27.42485    -0.06552     0.00000     0.00000
  Local      -4.15778    -4.01182    -3.91585    -1.74539    -0.00000     0.00000
  n-local    59.03003    58.96235    58.92463     0.70782     0.24496    -0.00640
  augment    -3.03929    -3.03637    -3.03559    -0.03421     0.00000     0.00000
  Kinetic    46.89351    46.90493    46.91934     0.13085    -3.66765    -0.02339
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.12147     0.07166     0.00680     0.84545     0.00000     0.00000
  in kB       2.98138     1.75890     0.16689    20.75163     0.00000     0.00000
  external pressure =        1.64 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200 -0.201274410  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.012416708  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.030516920  4.026832140  4.026832140     0.248417074  0.248644390  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.268E-15 0.101E-15 -.880E-16   -.338E-15 -.102E-15 -.987E-16   -.119E-27 0.246E-28 -.120E-25   -.122E-16 -.101E-16 -.434E-17
   -.140E-14 -.280E-13 0.230E-13   0.137E-14 0.148E-14 -.351E-15   -.190E-26 0.548E-27 0.116E-26   0.106E-15 0.764E-16 -.289E-16
   -.361E-14 -.661E-15 -.922E-13   -.985E-16 -.164E-14 0.396E-15   -.141E-25 -.929E-26 0.346E-25   0.148E-15 -.680E-16 0.487E-16
   -.759E-16 -.316E-14 -.426E-14   -.795E-15 0.299E-15 -.121E-15   0.346E-27 -.258E-26 -.765E-25   -.701E-16 0.806E-16 0.149E-16
 -----------------------------------------------------------------------------------------------
   -.481E-14 -.317E-13 -.736E-13   0.138E-15 0.357E-16 -.174E-15   -.158E-25 -.113E-25 -.527E-25   0.172E-15 0.788E-16 0.303E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000      0.000000      0.000000
      2.01274      1.91278      0.00000        -0.000000     -0.000000     -0.000000
      2.01274     -0.10064      2.01342         0.000000      0.000000      0.000000
      0.00000      2.01342      2.01342        -0.000000      0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.53195254 eV

  energy  without entropy=      -13.48944758  energy(sigma->0) =      -13.51070006
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.6640972E-06 0.664E-06
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.2842171E-13-0.284E-13


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0493: real time    0.0493


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   4/ 13
  Displacement:        2/  2
  Total:               8/ 26
  LATTYP: Found a simple monoclinic cell.
 ALAT       =     5.8389066034
 B/A-ratio  =     0.6894250026
 C/A-ratio  =     1.5741672015
 COS(beta)  =    -0.9532624800
  
  Lattice vectors:
  
 A1 = (   0.0000000000,  -4.0268321403,  -4.2281737473)
 A2 = (  -4.0254882003,   0.0000000000,   0.0000000000)
 A3 = (   0.0000000000,   8.0536642805,   4.4295153543)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    595 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.000000 -0.000000  0.076923      2.000000
  0.076923 -0.000000  0.076923      4.000000
  0.153846 -0.000000  0.076923      4.000000
  0.230769 -0.000000  0.076923      4.000000
  0.307692 -0.000000  0.076923      4.000000
  0.384615 -0.000000  0.076923      4.000000
  0.461538 -0.000000  0.076923      4.000000
  0.000000  0.076923  0.076923      2.000000
  0.076923  0.076923  0.076923      4.000000
  0.153846  0.076923  0.076923      4.000000
  0.230769  0.076923  0.076923      4.000000
  0.307692  0.076923  0.076923      4.000000
  0.384615  0.076923  0.076923      4.000000
  0.461538  0.076923  0.076923      4.000000
  0.000000  0.153846  0.076923      2.000000
  0.076923  0.153846  0.076923      4.000000
  0.153846  0.153846  0.076923      4.000000
  0.230769  0.153846  0.076923      4.000000
  0.307692  0.153846  0.076923      4.000000
  0.384615  0.153846  0.076923      4.000000
  0.461538  0.153846  0.076923      4.000000
  0.000000  0.230769  0.076923      2.000000
  0.076923  0.230769  0.076923      4.000000
  0.153846  0.230769  0.076923      4.000000
  0.230769  0.230769  0.076923      4.000000
  0.307692  0.230769  0.076923      4.000000
  0.384615  0.230769  0.076923      4.000000
  0.461538  0.230769  0.076923      4.000000
  0.000000  0.307692  0.076923      2.000000
  0.076923  0.307692  0.076923      4.000000
  0.153846  0.307692  0.076923      4.000000
  0.230769  0.307692  0.076923      4.000000
  0.307692  0.307692  0.076923      4.000000
  0.384615  0.307692  0.076923      4.000000
  0.461538  0.307692  0.076923      4.000000
  0.000000  0.384615  0.076923      2.000000
  0.076923  0.384615  0.076923      4.000000
  0.153846  0.384615  0.076923      4.000000
  0.230769  0.384615  0.076923      4.000000
  0.307692  0.384615  0.076923      4.000000
  0.384615  0.384615  0.076923      4.000000
  0.461538  0.384615  0.076923      4.000000
  0.000000  0.461538  0.076923      2.000000
  0.076923  0.461538  0.076923      4.000000
  0.153846  0.461538  0.076923      4.000000
  0.230769  0.461538  0.076923      4.000000
  0.307692  0.461538  0.076923      4.000000
  0.384615  0.461538  0.076923      4.000000
  0.461538  0.461538  0.076923      4.000000
  0.000000 -0.461538  0.076923      2.000000
  0.076923 -0.461538  0.076923      4.000000
  0.153846 -0.461538  0.076923      4.000000
  0.230769 -0.461538  0.076923      4.000000
  0.307692 -0.461538  0.076923      4.000000
  0.384615 -0.461538  0.076923      4.000000
  0.461538 -0.461538  0.076923      4.000000
  0.000000 -0.384615  0.076923      2.000000
  0.076923 -0.384615  0.076923      4.000000
  0.153846 -0.384615  0.076923      4.000000
  0.230769 -0.384615  0.076923      4.000000
  0.307692 -0.384615  0.076923      4.000000
  0.384615 -0.384615  0.076923      4.000000
  0.461538 -0.384615  0.076923      4.000000
  0.000000 -0.307692  0.076923      2.000000
  0.076923 -0.307692  0.076923      4.000000
  0.153846 -0.307692  0.076923      4.000000
  0.230769 -0.307692  0.076923      4.000000
  0.307692 -0.307692  0.076923      4.000000
  0.384615 -0.307692  0.076923      4.000000
  0.461538 -0.307692  0.076923      4.000000
  0.000000 -0.230769  0.076923      2.000000
  0.076923 -0.230769  0.076923      4.000000
  0.153846 -0.230769  0.076923      4.000000
  0.230769 -0.230769  0.076923      4.000000
  0.307692 -0.230769  0.076923      4.000000
  0.384615 -0.230769  0.076923      4.000000
  0.461538 -0.230769  0.076923      4.000000
  0.000000 -0.153846  0.076923      2.000000
  0.076923 -0.153846  0.076923      4.000000
  0.153846 -0.153846  0.076923      4.000000
  0.230769 -0.153846  0.076923      4.000000
  0.307692 -0.153846  0.076923      4.000000
  0.384615 -0.153846  0.076923      4.000000
  0.461538 -0.153846  0.076923      4.000000
  0.000000 -0.076923  0.076923      2.000000
  0.076923 -0.076923  0.076923      4.000000
  0.153846 -0.076923  0.076923      4.000000
  0.230769 -0.076923  0.076923      4.000000
  0.307692 -0.076923  0.076923      4.000000
  0.384615 -0.076923  0.076923      4.000000
  0.461538 -0.076923  0.076923      4.000000
  0.000000 -0.000000  0.153846      2.000000
  0.076923 -0.000000  0.153846      4.000000
  0.153846 -0.000000  0.153846      4.000000
  0.230769 -0.000000  0.153846      4.000000
  0.307692 -0.000000  0.153846      4.000000
  0.384615 -0.000000  0.153846      4.000000
  0.461538 -0.000000  0.153846      4.000000
  0.000000  0.076923  0.153846      2.000000
  0.076923  0.076923  0.153846      4.000000
  0.153846  0.076923  0.153846      4.000000
  0.230769  0.076923  0.153846      4.000000
  0.307692  0.076923  0.153846      4.000000
  0.384615  0.076923  0.153846      4.000000
  0.461538  0.076923  0.153846      4.000000
  0.000000  0.153846  0.153846      2.000000
  0.076923  0.153846  0.153846      4.000000
  0.153846  0.153846  0.153846      4.000000
  0.230769  0.153846  0.153846      4.000000
  0.307692  0.153846  0.153846      4.000000
  0.384615  0.153846  0.153846      4.000000
  0.461538  0.153846  0.153846      4.000000
  0.000000  0.230769  0.153846      2.000000
  0.076923  0.230769  0.153846      4.000000
  0.153846  0.230769  0.153846      4.000000
  0.230769  0.230769  0.153846      4.000000
  0.307692  0.230769  0.153846      4.000000
  0.384615  0.230769  0.153846      4.000000
  0.461538  0.230769  0.153846      4.000000
  0.000000  0.307692  0.153846      2.000000
  0.076923  0.307692  0.153846      4.000000
  0.153846  0.307692  0.153846      4.000000
  0.230769  0.307692  0.153846      4.000000
  0.307692  0.307692  0.153846      4.000000
  0.384615  0.307692  0.153846      4.000000
  0.461538  0.307692  0.153846      4.000000
  0.000000  0.384615  0.153846      2.000000
  0.076923  0.384615  0.153846      4.000000
  0.153846  0.384615  0.153846      4.000000
  0.230769  0.384615  0.153846      4.000000
  0.307692  0.384615  0.153846      4.000000
  0.384615  0.384615  0.153846      4.000000
  0.461538  0.384615  0.153846      4.000000
  0.000000  0.461538  0.153846      2.000000
  0.076923  0.461538  0.153846      4.000000
  0.153846  0.461538  0.153846      4.000000
  0.230769  0.461538  0.153846      4.000000
  0.307692  0.461538  0.153846      4.000000
  0.384615  0.461538  0.153846      4.000000
  0.461538  0.461538  0.153846      4.000000
  0.000000 -0.461538  0.153846      2.000000
  0.076923 -0.461538  0.153846      4.000000
  0.153846 -0.461538  0.153846      4.000000
  0.230769 -0.461538  0.153846      4.000000
  0.307692 -0.461538  0.153846      4.000000
  0.384615 -0.461538  0.153846      4.000000
  0.461538 -0.461538  0.153846      4.000000
  0.000000 -0.384615  0.153846      2.000000
  0.076923 -0.384615  0.153846      4.000000
  0.153846 -0.384615  0.153846      4.000000
  0.230769 -0.384615  0.153846      4.000000
  0.307692 -0.384615  0.153846      4.000000
  0.384615 -0.384615  0.153846      4.000000
  0.461538 -0.384615  0.153846      4.000000
  0.000000 -0.307692  0.153846      2.000000
  0.076923 -0.307692  0.153846      4.000000
  0.153846 -0.307692  0.153846      4.000000
  0.230769 -0.307692  0.153846      4.000000
  0.307692 -0.307692  0.153846      4.000000
  0.384615 -0.307692  0.153846      4.000000
  0.461538 -0.307692  0.153846      4.000000
  0.000000 -0.230769  0.153846      2.000000
  0.076923 -0.230769  0.153846      4.000000
  0.153846 -0.230769  0.153846      4.000000
  0.230769 -0.230769  0.153846      4.000000
  0.307692 -0.230769  0.153846      4.000000
  0.384615 -0.230769  0.153846      4.000000
  0.461538 -0.230769  0.153846      4.000000
  0.000000 -0.153846  0.153846      2.000000
  0.076923 -0.153846  0.153846      4.000000
  0.153846 -0.153846  0.153846      4.000000
  0.230769 -0.153846  0.153846      4.000000
  0.307692 -0.153846  0.153846      4.000000
  0.384615 -0.153846  0.153846      4.000000
  0.461538 -0.153846  0.153846      4.000000
  0.000000 -0.076923  0.153846      2.000000
  0.076923 -0.076923  0.153846      4.000000
  0.153846 -0.076923  0.153846      4.000000
  0.230769 -0.076923  0.153846      4.000000
  0.307692 -0.076923  0.153846      4.000000
  0.384615 -0.076923  0.153846      4.000000
  0.461538 -0.076923  0.153846      4.000000
  0.000000 -0.000000  0.230769      2.000000
  0.076923 -0.000000  0.230769      4.000000
  0.153846 -0.000000  0.230769      4.000000
  0.230769 -0.000000  0.230769      4.000000
  0.307692 -0.000000  0.230769      4.000000
  0.384615 -0.000000  0.230769      4.000000
  0.461538 -0.000000  0.230769      4.000000
  0.000000  0.076923  0.230769      2.000000
  0.076923  0.076923  0.230769      4.000000
  0.153846  0.076923  0.230769      4.000000
  0.230769  0.076923  0.230769      4.000000
  0.307692  0.076923  0.230769      4.000000
  0.384615  0.076923  0.230769      4.000000
  0.461538  0.076923  0.230769      4.000000
  0.000000  0.153846  0.230769      2.000000
  0.076923  0.153846  0.230769      4.000000
  0.153846  0.153846  0.230769      4.000000
  0.230769  0.153846  0.230769      4.000000
  0.307692  0.153846  0.230769      4.000000
  0.384615  0.153846  0.230769      4.000000
  0.461538  0.153846  0.230769      4.000000
  0.000000  0.230769  0.230769      2.000000
  0.076923  0.230769  0.230769      4.000000
  0.153846  0.230769  0.230769      4.000000
  0.230769  0.230769  0.230769      4.000000
  0.307692  0.230769  0.230769      4.000000
  0.384615  0.230769  0.230769      4.000000
  0.461538  0.230769  0.230769      4.000000
  0.000000  0.307692  0.230769      2.000000
  0.076923  0.307692  0.230769      4.000000
  0.153846  0.307692  0.230769      4.000000
  0.230769  0.307692  0.230769      4.000000
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  0.019109  0.109840  0.095513      4.000000
  0.038218  0.109840  0.095513      4.000000
  0.057327  0.109840  0.095513      4.000000
  0.076436  0.109840  0.095513      4.000000
  0.095545  0.109840  0.095513      4.000000
  0.114654  0.109840  0.095513      4.000000
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  0.019109 -0.119391  0.095513      4.000000
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  0.057327 -0.119391  0.095513      4.000000
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  0.114654 -0.119391  0.095513      4.000000
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  0.095545 -0.100289  0.095513      4.000000
  0.114654 -0.100289  0.095513      4.000000
  0.000000 -0.081186  0.095513      2.000000
  0.019109 -0.081186  0.095513      4.000000
  0.038218 -0.081186  0.095513      4.000000
  0.057327 -0.081186  0.095513      4.000000
  0.076436 -0.081186  0.095513      4.000000
  0.095545 -0.081186  0.095513      4.000000
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  0.019109 -0.062084  0.095513      4.000000
  0.038218 -0.062084  0.095513      4.000000
  0.057327 -0.062084  0.095513      4.000000
  0.076436 -0.062084  0.095513      4.000000
  0.095545 -0.062084  0.095513      4.000000
  0.114654 -0.062084  0.095513      4.000000
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  0.019109 -0.042981  0.095513      4.000000
  0.038218 -0.042981  0.095513      4.000000
  0.057327 -0.042981  0.095513      4.000000
  0.076436 -0.042981  0.095513      4.000000
  0.095545 -0.042981  0.095513      4.000000
  0.114654 -0.042981  0.095513      4.000000
  0.000000 -0.023878  0.095513      2.000000
  0.019109 -0.023878  0.095513      4.000000
  0.038218 -0.023878  0.095513      4.000000
  0.057327 -0.023878  0.095513      4.000000
  0.076436 -0.023878  0.095513      4.000000
  0.095545 -0.023878  0.095513      4.000000
  0.114654 -0.023878  0.095513      4.000000
  0.000000 -0.005731  0.114616      2.000000
  0.019109 -0.005731  0.114616      4.000000
  0.038218 -0.005731  0.114616      4.000000
  0.057327 -0.005731  0.114616      4.000000
  0.076436 -0.005731  0.114616      4.000000
  0.095545 -0.005731  0.114616      4.000000
  0.114654 -0.005731  0.114616      4.000000
  0.000000  0.013372  0.114616      2.000000
  0.019109  0.013372  0.114616      4.000000
  0.038218  0.013372  0.114616      4.000000
  0.057327  0.013372  0.114616      4.000000
  0.076436  0.013372  0.114616      4.000000
  0.095545  0.013372  0.114616      4.000000
  0.114654  0.013372  0.114616      4.000000
  0.000000  0.032474  0.114616      2.000000
  0.019109  0.032474  0.114616      4.000000
  0.038218  0.032474  0.114616      4.000000
  0.057327  0.032474  0.114616      4.000000
  0.076436  0.032474  0.114616      4.000000
  0.095545  0.032474  0.114616      4.000000
  0.114654  0.032474  0.114616      4.000000
  0.000000  0.051577  0.114616      2.000000
  0.019109  0.051577  0.114616      4.000000
  0.038218  0.051577  0.114616      4.000000
  0.057327  0.051577  0.114616      4.000000
  0.076436  0.051577  0.114616      4.000000
  0.095545  0.051577  0.114616      4.000000
  0.114654  0.051577  0.114616      4.000000
  0.000000  0.070680  0.114616      2.000000
  0.019109  0.070680  0.114616      4.000000
  0.038218  0.070680  0.114616      4.000000
  0.057327  0.070680  0.114616      4.000000
  0.076436  0.070680  0.114616      4.000000
  0.095545  0.070680  0.114616      4.000000
  0.114654  0.070680  0.114616      4.000000
  0.000000  0.089782  0.114616      2.000000
  0.019109  0.089782  0.114616      4.000000
  0.038218  0.089782  0.114616      4.000000
  0.057327  0.089782  0.114616      4.000000
  0.076436  0.089782  0.114616      4.000000
  0.095545  0.089782  0.114616      4.000000
  0.114654  0.089782  0.114616      4.000000
  0.000000  0.108885  0.114616      2.000000
  0.019109  0.108885  0.114616      4.000000
  0.038218  0.108885  0.114616      4.000000
  0.057327  0.108885  0.114616      4.000000
  0.076436  0.108885  0.114616      4.000000
  0.095545  0.108885  0.114616      4.000000
  0.114654  0.108885  0.114616      4.000000
  0.000000 -0.120347  0.114616      2.000000
  0.019109 -0.120347  0.114616      4.000000
  0.038218 -0.120347  0.114616      4.000000
  0.057327 -0.120347  0.114616      4.000000
  0.076436 -0.120347  0.114616      4.000000
  0.095545 -0.120347  0.114616      4.000000
  0.114654 -0.120347  0.114616      4.000000
  0.000000 -0.101244  0.114616      2.000000
  0.019109 -0.101244  0.114616      4.000000
  0.038218 -0.101244  0.114616      4.000000
  0.057327 -0.101244  0.114616      4.000000
  0.076436 -0.101244  0.114616      4.000000
  0.095545 -0.101244  0.114616      4.000000
  0.114654 -0.101244  0.114616      4.000000
  0.000000 -0.082141  0.114616      2.000000
  0.019109 -0.082141  0.114616      4.000000
  0.038218 -0.082141  0.114616      4.000000
  0.057327 -0.082141  0.114616      4.000000
  0.076436 -0.082141  0.114616      4.000000
  0.095545 -0.082141  0.114616      4.000000
  0.114654 -0.082141  0.114616      4.000000
  0.000000 -0.063039  0.114616      2.000000
  0.019109 -0.063039  0.114616      4.000000
  0.038218 -0.063039  0.114616      4.000000
  0.057327 -0.063039  0.114616      4.000000
  0.076436 -0.063039  0.114616      4.000000
  0.095545 -0.063039  0.114616      4.000000
  0.114654 -0.063039  0.114616      4.000000
  0.000000 -0.043936  0.114616      2.000000
  0.019109 -0.043936  0.114616      4.000000
  0.038218 -0.043936  0.114616      4.000000
  0.057327 -0.043936  0.114616      4.000000
  0.076436 -0.043936  0.114616      4.000000
  0.095545 -0.043936  0.114616      4.000000
  0.114654 -0.043936  0.114616      4.000000
  0.000000 -0.024833  0.114616      2.000000
  0.019109 -0.024833  0.114616      4.000000
  0.038218 -0.024833  0.114616      4.000000
  0.057327 -0.024833  0.114616      4.000000
  0.076436 -0.024833  0.114616      4.000000
  0.095545 -0.024833  0.114616      4.000000
  0.114654 -0.024833  0.114616      4.000000
 
    WAVPRE:  cpu time    0.7113: real time    0.9186
    FEWALD:  cpu time    0.0028: real time    0.0028
    GENKIN:  cpu time    0.1517: real time    0.1517
    ORTHCH:  cpu time    3.9538: real time    3.9544
     LOOP+:  cpu time  226.9733: real time  227.2956


--------------------------------------- Iteration     10(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0504: real time    0.0511
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   44.8174: real time   44.8397
       DOS:  cpu time    0.0177: real time    0.0177
    CHARGE:  cpu time    0.2869: real time    0.2869
    MIXING:  cpu time    0.0042: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time   45.1797: real time   45.2028

 eigenvalue-minimisations  : 18276
 total energy-change (2. order) :-0.8898797E-02  (-0.1428650E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1062778 magnetization 

 Broyden mixing:
  rms(total) = 0.52523E-01    rms(broyden)= 0.52523E-01
  rms(prec ) = 0.14416E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.39967787
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80214137
  PAW double counting   =       429.42889015     -328.08300262
  entropy T*S    EENTRO =        -0.04266262
  eigenvalues    EBANDS =        22.56721730
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54085188 eV

  energy without entropy =      -13.49818926  energy(sigma->0) =      -13.51952057


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0506: real time    0.0514
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   41.5090: real time   41.5306
       DOS:  cpu time    0.0164: real time    0.0164
    CHARGE:  cpu time    0.2864: real time    0.2864
    MIXING:  cpu time    0.0048: real time    0.0048
    --------------------------------------------
      LOOP:  cpu time   41.8710: real time   41.8934

 eigenvalue-minimisations  : 16332
 total energy-change (2. order) : 0.4410730E-02  (-0.3232196E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1061031 magnetization 

 Broyden mixing:
  rms(total) = 0.33096E-01    rms(broyden)= 0.33096E-01
  rms(prec ) = 0.90341E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.6451
  2.6451

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.39657090
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80263429
  PAW double counting   =       429.53752777     -328.19192974
  entropy T*S    EENTRO =        -0.04258915
  eigenvalues    EBANDS =        22.56923001
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53644115 eV

  energy without entropy =      -13.49385199  energy(sigma->0) =      -13.51514657


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0522: real time    0.0525
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   43.9006: real time   43.9228
       DOS:  cpu time    0.0221: real time    0.0221
    CHARGE:  cpu time    0.2854: real time    0.2854
    MIXING:  cpu time    0.0050: real time    0.0050
    --------------------------------------------
      LOOP:  cpu time   44.2691: real time   44.2917

 eigenvalue-minimisations  : 17756
 total energy-change (2. order) : 0.4424790E-02  (-0.8624348E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060530 magnetization 

 Broyden mixing:
  rms(total) = 0.37002E-02    rms(broyden)= 0.37002E-02
  rms(prec ) = 0.11133E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8250
  1.1173  2.5326

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.40314942
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80081752
  PAW double counting   =       429.43510470     -328.08955773
  entropy T*S    EENTRO =        -0.04249496
  eigenvalues    EBANDS =        22.57837341
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53201636 eV

  energy without entropy =      -13.48952140  energy(sigma->0) =      -13.51076888


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0508: real time    0.0513
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   41.1698: real time   41.1913
       DOS:  cpu time    0.0200: real time    0.0200
    CHARGE:  cpu time    0.2853: real time    0.2853
    MIXING:  cpu time    0.0054: real time    0.0054
    --------------------------------------------
      LOOP:  cpu time   41.5350: real time   41.5570

 eigenvalue-minimisations  : 16816
 total energy-change (2. order) : 0.3027035E-04  (-0.4499313E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060540 magnetization 

 Broyden mixing:
  rms(total) = 0.20816E-02    rms(broyden)= 0.20816E-02
  rms(prec ) = 0.54705E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8160
  2.7030  1.3724  1.3724

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.40145850
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80113799
  PAW double counting   =       429.42675984     -328.08101040
  entropy T*S    EENTRO =        -0.04250943
  eigenvalues    EBANDS =        22.57684525
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53198609 eV

  energy without entropy =      -13.48947665  energy(sigma->0) =      -13.51073137


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0507: real time    0.0525
    SETDIJ:  cpu time    0.0032: real time    0.0032
     EDDAV:  cpu time   43.9598: real time   43.9822
       DOS:  cpu time    0.0203: real time    0.0203
    CHARGE:  cpu time    0.2866: real time    0.2867
    MIXING:  cpu time    0.0046: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time   44.3253: real time   44.3495

 eigenvalue-minimisations  : 18000
 total energy-change (2. order) : 0.1275167E-04  (-0.4241462E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060545 magnetization 

 Broyden mixing:
  rms(total) = 0.45543E-03    rms(broyden)= 0.45543E-03
  rms(prec ) = 0.10664E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8142
  2.8041  2.1653  0.9700  1.3175

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.40131586
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80113204
  PAW double counting   =       429.46487507     -328.11898467
  entropy T*S    EENTRO =        -0.04251607
  eigenvalues    EBANDS =        22.57657509
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53197334 eV

  energy without entropy =      -13.48945726  energy(sigma->0) =      -13.51071530


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0509: real time    0.0513
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   40.5467: real time   40.5619
       DOS:  cpu time    0.0217: real time    0.0217
    --------------------------------------------
      LOOP:  cpu time   40.6228: real time   40.6384

 eigenvalue-minimisations  : 17016
 total energy-change (2. order) : 0.2581606E-06  (-0.2578774E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060545 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.40116320
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80116334
  PAW double counting   =       429.49450934     -328.14861238
  entropy T*S    EENTRO =        -0.04251752
  eigenvalues    EBANDS =        22.57644887
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53197308 eV

  energy without entropy =      -13.48945555  energy(sigma->0) =      -13.51071432


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2434       2 -74.2381       3 -74.2395       4 -74.2415
 
 
 
 E-fermi :   6.2615     XC(G=0):  -9.5660     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6253      2.00000
      2       4.2562      2.00000
      3       4.3329      2.00000
      4       4.4071      2.00000
      5       5.5481      1.99841
      6       5.5661      1.99809
      7       7.6089      0.00000
      8      11.8847      0.00000
      9      12.5259      0.00000
     10      12.6903      0.00000
     11      12.7421      0.00000
     12      12.8209      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5759      2.00000
      2       3.6446      2.00000
      3       4.3044      2.00000
      4       4.4568      2.00000
      5       5.6136      1.99694
      6       6.1594      1.47037
      7       7.8082      0.00000
      8      11.4539      0.00000
      9      11.6542      0.00000
     10      12.1830      0.00000
     11      12.2442      0.00000
     12      12.7258      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4288      2.00000
      2       2.6154      2.00000
      3       4.4483      2.00000
      4       4.6058      2.00000
      5       5.7720      1.98514
      6       6.7663      0.01276
      7       8.5772      0.00000
      8      10.4130      0.00000
      9      10.5138      0.00000
     10      11.4190      0.00000
     11      12.3059      0.00000
     12      12.7091      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1870      2.00000
      2       1.6217      2.00000
      3       4.6859      2.00000
      4       4.8534      2.00000
      5       6.0350      1.81182
      6       7.0530      0.00073
      7       9.3952      0.00000
      8       9.4665      0.00000
      9       9.8457      0.00000
     10      10.5386      0.00000
     11      12.3093      0.00000
     12      12.5265      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8589      2.00000
      2       0.7173      2.00000
      3       5.0111      1.99999
      4       5.1982      1.99995
      5       6.4008      0.39791
      6       7.2294      0.00013
      7       8.4754      0.00000
      8       8.5204      0.00000
      9       9.6655      0.00000
     10      11.2302      0.00000
     11      12.0102      0.00000
     12      12.8456      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4694      2.00000
      2      -0.0601      2.00000
      3       5.4044      1.99962
      4       5.6340      1.99624
      5       6.8661      0.00472
      6       7.3566      0.00004
      7       7.6745      0.00000
      8       7.6922      0.00000
      9       8.8478      0.00000
     10      11.4190      0.00000
     11      13.1395      0.00000
     12      13.2459      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1184      2.00000
      2      -0.6060      2.00000
      3       5.7753      1.98464
      4       6.1179      1.61568
      5       6.9951      0.00130
      6       7.1162      0.00039
      7       7.4151      0.00002
      8       7.4329      0.00002
      9       8.1144      0.00000
     10      11.2677      0.00000
     11      13.6611      0.00000
     12      14.0302      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6299      2.00000
      3       4.3819      2.00000
      4       4.3943      2.00000
      5       5.6167      1.99684
      6       6.1576      1.47735
      7       7.8050      0.00000
      8      11.1983      0.00000
      9      11.5744      0.00000
     10      12.3811      0.00000
     11      12.8675      0.00000
     12      13.0192      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5266      2.00000
      2       3.5598      2.00000
      3       3.8324      2.00000
      4       4.4454      2.00000
      5       5.9503      1.91477
      6       6.5033      0.16362
      7       7.9581      0.00000
      8      10.8015      0.00000
      9      11.2807      0.00000
     10      11.7569      0.00000
     11      12.4929      0.00000
     12      12.9042      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3794      2.00000
      2       2.6477      2.00000
      3       3.8686      2.00000
      4       4.5921      2.00000
      5       6.1609      1.46433
      6       7.1324      0.00033
      7       8.6252      0.00000
      8       9.8220      0.00000
      9      10.5152      0.00000
     10      11.4709      0.00000
     11      11.8773      0.00000
     12      13.0514      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1374      2.00000
      2       1.6628      2.00000
      3       4.1019      2.00000
      4       4.8354      2.00000
      5       6.4054      0.38349
      6       7.4359      0.00002
      7       8.8229      0.00000
      8       9.4877      0.00000
      9       9.9093      0.00000
     10      10.9760      0.00000
     11      11.7256      0.00000
     12      12.5876      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7608      2.00000
      3       4.4289      2.00000
      4       5.1717      1.99996
      5       6.6949      0.02589
      6       7.5801      0.00000
      7       8.0387      0.00000
      8       8.5620      0.00000
      9      10.1299      0.00000
     10      11.3440      0.00000
     11      11.9150      0.00000
     12      12.2919      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0164      2.00000
      3       4.8287      2.00000
      4       5.5889      1.99760
      5       6.7619      0.01333
      6       7.4581      0.00001
      7       7.7023      0.00000
      8       7.9323      0.00000
      9       9.3538      0.00000
     10      11.5965      0.00000
     11      12.4466      0.00000
     12      13.1217      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5634      2.00000
      3       5.2181      1.99994
      4       6.0216      1.83350
      5       6.3455      0.60291
      6       7.1022      0.00045
      7       7.6415      0.00000
      8       8.1294      0.00000
      9       8.6806      0.00000
     10      11.4339      0.00000
     11      12.7785      0.00000
     12      14.1325      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4290      2.00000
      2       2.6063      2.00000
      3       4.5286      2.00000
      4       4.5308      2.00000
      5       5.7793      1.98402
      6       6.7683      0.01251
      7       8.5647      0.00000
      8      10.1898      0.00000
      9      10.4579      0.00000
     10      11.6019      0.00000
     11      12.8797      0.00000
     12      12.9603      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3795      2.00000
      2       2.6390      2.00000
      3       3.8832      2.00000
      4       4.5829      2.00000
      5       6.1660      1.44405
      6       7.1363      0.00032
      7       8.6146      0.00000
      8       9.7930      0.00000
      9      10.3059      0.00000
     10      11.8235      0.00000
     11      12.0110      0.00000
     12      12.9079      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2319      2.00000
      2       2.5790      2.00000
      3       3.0684      2.00000
      4       4.7293      2.00000
      5       6.4306      0.31124
      6       8.0449      0.00000
      7       8.6516      0.00000
      8       9.1465      0.00000
      9      10.3718      0.00000
     10      10.7575      0.00000
     11      12.0071      0.00000
     12      12.7206      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9892      2.00000
      2       1.7721      2.00000
      3       3.1201      2.00000
      4       4.9718      1.99999
      5       6.5869      0.07434
      6       7.9187      0.00000
      7       8.5821      0.00000
      8       9.6213      0.00000
      9      10.0420      0.00000
     10      10.6611      0.00000
     11      11.4448      0.00000
     12      12.8065      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8875      2.00000
      3       3.4224      2.00000
      4       5.3062      1.99986
      5       6.4660      0.22903
      6       7.4853      0.00001
      7       8.6112      0.00000
      8       8.9039      0.00000
      9      10.6171      0.00000
     10      11.0443      0.00000
     11      11.5359      0.00000
     12      12.6318      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2663      2.00000
      2       0.1131      2.00000
      3       3.8055      2.00000
      4       5.7085      1.99210
      5       5.9303      1.92966
      6       7.6073      0.00000
      7       7.8619      0.00000
      8       8.9798      0.00000
      9      10.1195      0.00000
     10      11.3721      0.00000
     11      12.2509      0.00000
     12      12.9387      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4372      2.00000
      3       4.1718      2.00000
      4       5.4009      1.99963
      5       6.1532      1.49417
      6       7.2420      0.00011
      7       7.8329      0.00000
      8       8.9799      0.00000
      9       9.8279      0.00000
     10      11.7060      0.00000
     11      11.9843      0.00000
     12      13.2371      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1875      2.00000
      2       1.6147      2.00000
      3       4.7626      2.00000
      4       4.7718      2.00000
      5       6.0482      1.78813
      6       7.0555      0.00071
      7       9.2040      0.00000
      8       9.4222      0.00000
      9       9.8423      0.00000
     10      10.7008      0.00000
     11      12.3899      0.00000
     12      13.1367      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1378      2.00000
      2       1.6560      2.00000
      3       4.1170      2.00000
      4       4.8166      2.00000
      5       6.4157      0.35250
      6       7.4421      0.00001
      7       8.7963      0.00000
      8       9.3024      0.00000
      9       9.9201      0.00000
     10      11.1248      0.00000
     11      12.0632      0.00000
     12      12.5583      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9895      2.00000
      2       1.7660      2.00000
      3       3.1283      2.00000
      4       4.9628      2.00000
      5       6.5917      0.07103
      6       7.9133      0.00000
      7       8.5963      0.00000
      8       9.4316      0.00000
      9      10.0396      0.00000
     10      10.9327      0.00000
     11      11.5203      0.00000
     12      12.6646      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7454      2.00000
      2       1.7583      2.00000
      3       2.3741      2.00000
      4       5.2048      1.99995
      5       6.3679      0.51292
      6       7.4790      0.00001
      7       9.5882      0.00000
      8       9.7017      0.00000
      9       9.9772      0.00000
     10      10.4023      0.00000
     11      11.4403      0.00000
     12      12.5113      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4130      2.00000
      2       1.0756      2.00000
      3       2.4634      2.00000
      4       5.5342      1.99861
      5       5.7189      1.99124
      6       7.5718      0.00000
      7       8.8962      0.00000
      8       9.9497      0.00000
      9      10.1119      0.00000
     10      11.1642      0.00000
     11      11.4959      0.00000
     12      12.7124      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0151      2.00000
      2       0.3206      2.00000
      3       2.8071      2.00000
      4       5.0223      1.99999
      5       5.9560      1.90997
      6       7.8424      0.00000
      7       8.1014      0.00000
      8       9.7836      0.00000
      9      10.4173      0.00000
     10      11.1372      0.00000
     11      12.3285      0.00000
     12      12.7418      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6479      2.00000
      2      -0.2334      2.00000
      3       3.1395      2.00000
      4       4.5136      2.00000
      5       6.3769      0.47941
      6       7.4764      0.00001
      7       8.1046      0.00000
      8       9.4833      0.00000
      9      10.7520      0.00000
     10      11.2493      0.00000
     11      12.1911      0.00000
     12      12.6838      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8598      2.00000
      2       0.7117      2.00000
      3       5.0847      1.99998
      4       5.1077      1.99998
      5       6.4189      0.34336
      6       7.2266      0.00013
      7       8.3325      0.00000
      8       8.4879      0.00000
      9       9.8056      0.00000
     10      11.2363      0.00000
     11      12.0429      0.00000
     12      13.3965      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8096      2.00000
      2       0.7553      2.00000
      3       4.4451      2.00000
      4       5.1404      1.99997
      5       6.7081      0.02273
      6       7.5892      0.00000
      7       7.9808      0.00000
      8       8.4730      0.00000
      9      10.2484      0.00000
     10      11.3277      0.00000
     11      12.1069      0.00000
     12      12.4298      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2       0.8823      2.00000
      3       3.4310      2.00000
      4       5.2863      1.99988
      5       6.4712      0.21879
      6       7.4643      0.00001
      7       8.5580      0.00000
      8       8.8656      0.00000
      9      10.7797      0.00000
     10      11.1474      0.00000
     11      11.5900      0.00000
     12      12.5548      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4134      2.00000
      2       1.0712      2.00000
      3       2.4689      2.00000
      4       5.5278      1.99870
      5       5.7148      1.99158
      6       7.5580      0.00000
      7       8.8101      0.00000
      8      10.0420      0.00000
      9      10.1945      0.00000
     10      11.2071      0.00000
     11      11.4741      0.00000
     12      12.6187      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0766      2.00000
      2       1.1330      2.00000
      3       1.7972      2.00000
      4       4.9123      2.00000
      5       5.8621      1.96381
      6       7.8254      0.00000
      7       9.0661      0.00000
      8       9.2976      0.00000
      9      10.5969      0.00000
     10      11.3693      0.00000
     11      11.9763      0.00000
     12      12.5660      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6704      2.00000
      2       0.5798      2.00000
      3       1.9108      2.00000
      4       4.2062      2.00000
      5       6.2749      0.93307
      6       8.1545      0.00000
      7       8.4239      0.00000
      8       9.5000      0.00000
      9      10.2153      0.00000
     10      11.5968      0.00000
     11      11.9604      0.00000
     12      12.5115      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2868      2.00000
      2       0.0334      2.00000
      3       2.1868      2.00000
      4       3.7190      2.00000
      5       6.6938      0.02617
      6       7.7966      0.00000
      7       8.4683      0.00000
      8       9.7237      0.00000
      9       9.9136      0.00000
     10      11.3698      0.00000
     11      11.8660      0.00000
     12      12.7943      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4706      2.00000
      2      -0.0648      2.00000
      3       5.4868      1.99914
      4       5.5240      1.99875
      5       6.8707      0.00451
      6       7.3045      0.00006
      7       7.6200      0.00000
      8       7.6716      0.00000
      9       8.9746      0.00000
     10      11.4698      0.00000
     11      13.0894      0.00000
     12      13.7219      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4196      2.00000
      2      -0.0209      2.00000
      3       4.8487      2.00000
      4       5.5426      1.99849
      5       6.7690      0.01242
      6       7.3196      0.00005
      7       7.7270      0.00000
      8       7.9618      0.00000
      9       9.4408      0.00000
     10      11.6525      0.00000
     11      12.6543      0.00000
     12      13.1712      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2673      2.00000
      2       0.1088      2.00000
      3       3.8146      2.00000
      4       5.6870      1.99363
      5       5.9201      1.93627
      6       7.4376      0.00002
      7       7.9738      0.00000
      8       8.9903      0.00000
      9      10.1938      0.00000
     10      11.5725      0.00000
     11      12.2466      0.00000
     12      12.8649      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0158      2.00000
      2       0.3168      2.00000
      3       2.8129      2.00000
      4       5.0258      1.99999
      5       5.9295      1.93022
      6       7.6785      0.00000
      7       8.2103      0.00000
      8       9.8462      0.00000
      9      10.5569      0.00000
     10      11.1652      0.00000
     11      12.1433      0.00000
     12      12.8800      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6708      2.00000
      2       0.5768      2.00000
      3       1.9144      2.00000
      4       4.2074      2.00000
      5       6.2622      0.99656
      6       8.0114      0.00000
      7       8.5153      0.00000
      8       9.6116      0.00000
      9      10.2704      0.00000
     10      11.4117      0.00000
     11      12.0751      0.00000
     12      12.5261      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2495      2.00000
      2       0.7128      2.00000
      3       1.2937      2.00000
      4       3.5187      2.00000
      5       6.6739      0.03185
      6       8.4092      0.00000
      7       8.7960      0.00000
      8       8.8961      0.00000
      9      10.2693      0.00000
     10      10.8820      0.00000
     11      11.4173      0.00000
     12      13.5933      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8351      2.00000
      2       0.3246      2.00000
      3       1.3396      2.00000
      4       3.0682      2.00000
      5       7.0925      0.00049
      6       8.1801      0.00000
      7       8.8436      0.00000
      8       9.1681      0.00000
      9       9.8679      0.00000
     10      10.6904      0.00000
     11      11.0823      0.00000
     12      13.5110      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1199      2.00000
      2      -0.6101      2.00000
      3       5.9080      1.94332
      4       5.9492      1.91563
      5       6.8403      0.00611
      6       7.0461      0.00078
      7       7.4236      0.00002
      8       7.5328      0.00001
      9       8.2495      0.00000
     10      11.3125      0.00000
     11      14.0351      0.00000
     12      14.4487      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0673      2.00000
      2      -0.5674      2.00000
      3       5.2497      1.99992
      4       5.9566      1.90947
      5       6.3470      0.59672
      6       6.8948      0.00355
      7       7.8018      0.00000
      8       8.1359      0.00000
      9       8.7397      0.00000
     10      11.4780      0.00000
     11      13.0518      0.00000
     12      13.9829      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9099      2.00000
      2      -0.4409      2.00000
      3       4.1827      2.00000
      4       5.4052      1.99962
      5       6.1082      1.64478
      6       7.0443      0.00080
      7       8.0105      0.00000
      8       9.0034      0.00000
      9       9.8524      0.00000
     10      11.8664      0.00000
     11      12.0913      0.00000
     12      13.0415      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6490      2.00000
      2      -0.2366      2.00000
      3       3.1454      2.00000
      4       4.5163      2.00000
      5       6.3466      0.59843
      6       7.2895      0.00007
      7       8.2726      0.00000
      8       9.5262      0.00000
      9      10.9164      0.00000
     10      11.2670      0.00000
     11      12.0585      0.00000
     12      12.7406      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2876      2.00000
      2       0.0308      2.00000
      3       2.1903      2.00000
      4       3.7206      2.00000
      5       6.6781      0.03056
      6       7.6248      0.00000
      7       8.6190      0.00000
      8       9.7809      0.00000
      9      10.0592      0.00000
     10      11.1452      0.00000
     11      11.9752      0.00000
     12      12.8014      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8355      2.00000
      2       0.3227      2.00000
      3       1.3417      2.00000
      4       3.0689      2.00000
      5       7.0905      0.00050
      6       8.0301      0.00000
      7       9.0379      0.00000
      8       9.1686      0.00000
      9      10.0524      0.00000
     10      10.3627      0.00000
     11      11.1979      0.00000
     12      13.4991      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3503      2.00000
      2       0.5018      2.00000
      3       0.7035      2.00000
      4       2.6626      2.00000
      5       7.5181      0.00001
      6       8.4108      0.00000
      7       8.5540      0.00000
      8       9.4539      0.00000
      9       9.7346      0.00000
     10      10.2297      0.00000
     11      10.5624      0.00000
     12      13.3904      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5311      2.00000
      2       3.6736      2.00000
      3       3.8163      2.00000
      4       4.4263      2.00000
      5       5.9063      1.94424
      6       6.4764      0.20879
      7       7.9251      0.00000
      8      10.2586      0.00000
      9      11.5749      0.00000
     10      11.8764      0.00000
     11      12.5634      0.00000
     12      12.8992      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4817      2.00000
      2       3.6143      2.00000
      3       3.7253      2.00000
      4       4.0334      2.00000
      5       6.5196      0.14072
      6       6.5361      0.12059
      7       8.0579      0.00000
      8      10.2446      0.00000
      9      10.8452      0.00000
     10      11.2602      0.00000
     11      12.8078      0.00000
     12      13.3313      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3344      2.00000
      2       2.6821      2.00000
      3       3.8780      2.00000
      4       4.0878      2.00000
      5       6.6797      0.03007
      6       7.2621      0.00009
      7       8.6686      0.00000
      8       9.7872      0.00000
      9       9.9153      0.00000
     10      10.7439      0.00000
     11      12.2523      0.00000
     12      13.2329      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0922      2.00000
      2       1.7021      2.00000
      3       4.1327      2.00000
      4       4.2978      2.00000
      5       6.9301      0.00249
      6       7.5720      0.00000
      7       8.7719      0.00000
      8       9.0636      0.00000
      9       9.9381      0.00000
     10      10.8345      0.00000
     11      11.3955      0.00000
     12      12.7802      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7634      2.00000
      2       0.8015      2.00000
      3       4.4875      2.00000
      4       4.5886      2.00000
      5       7.2484      0.00010
      6       7.6336      0.00000
      7       7.8709      0.00000
      8       8.3998      0.00000
      9      10.5288      0.00000
     10      10.9915      0.00000
     11      11.4331      0.00000
     12      12.3949      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3723      2.00000
      2       0.0245      2.00000
      3       4.9208      2.00000
      4       4.9435      2.00000
      5       6.9240      0.00265
      6       7.2882      0.00007
      7       7.8062      0.00000
      8       8.1935      0.00000
      9       9.7166      0.00000
     10      11.3070      0.00000
     11      11.8783      0.00000
     12      13.1761      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0185      2.00000
      2      -0.5235      2.00000
      3       5.2048      1.99995
      4       5.4671      1.99929
      5       6.2208      1.20075
      6       6.8850      0.00391
      7       8.2159      0.00000
      8       8.3394      0.00000
      9       8.9824      0.00000
     10      11.4653      0.00000
     11      11.8209      0.00000
     12      13.3750      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3886      2.00000
      2       2.7008      2.00000
      3       3.9600      2.00000
      4       4.5682      2.00000
      5       6.1056      1.65230
      6       7.0846      0.00053
      7       8.5260      0.00000
      8       9.3302      0.00000
      9      10.5587      0.00000
     10      11.9561      0.00000
     11      12.0100      0.00000
     12      12.9849      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3391      2.00000
      2       2.7343      2.00000
      3       3.8198      2.00000
      4       4.1387      2.00000
      5       6.6532      0.03904
      6       7.2675      0.00009
      7       8.5843      0.00000
      8       9.2960      0.00000
      9      10.0300      0.00000
     10      11.2680      0.00000
     11      12.5545      0.00000
     12      13.2725      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1914      2.00000
      2       2.6510      2.00000
      3       3.1119      2.00000
      4       4.2031      2.00000
      5       7.0333      0.00089
      6       8.0539      0.00000
      7       8.7237      0.00000
      8       8.9759      0.00000
      9       9.5737      0.00000
     10      10.3965      0.00000
     11      12.6294      0.00000
     12      13.4250      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9486      2.00000
      2       1.8124      2.00000
      3       3.2058      2.00000
      4       4.4234      2.00000
      5       7.1864      0.00019
      6       7.9971      0.00000
      7       8.5321      0.00000
      8       9.1056      0.00000
      9       9.6664      0.00000
     10      10.3646      0.00000
     11      11.9190      0.00000
     12      13.3234      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6185      2.00000
      2       0.9263      2.00000
      3       3.5143      2.00000
      4       4.7275      2.00000
      5       6.8216      0.00736
      6       7.8055      0.00000
      7       8.1591      0.00000
      8       8.9624      0.00000
      9      10.0470      0.00000
     10      11.0993      0.00000
     11      11.6606      0.00000
     12      12.7910      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2250      2.00000
      2       0.1513      2.00000
      3       3.9001      2.00000
      4       5.0794      1.99999
      5       6.1474      1.51586
      6       7.4037      0.00002
      7       8.1623      0.00000
      8       9.1421      0.00000
      9      10.2928      0.00000
     10      10.5143      0.00000
     11      12.1952      0.00000
     12      12.9285      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8665      2.00000
      2      -0.3998      2.00000
      3       4.2654      2.00000
      4       5.3096      1.99985
      5       5.7083      1.99211
      6       6.9035      0.00325
      7       8.4539      0.00000
      8       9.2961      0.00000
      9       9.8799      0.00000
     10      10.7381      0.00000
     11      11.7289      0.00000
     12      12.7913      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1513      2.00000
      2       1.7070      2.00000
      3       4.2415      2.00000
      4       4.8066      2.00000
      5       6.3367      0.64083
      6       7.3383      0.00004
      7       8.3544      0.00000
      8       9.5198      0.00000
      9       9.8453      0.00000
     10      11.2371      0.00000
     11      12.2405      0.00000
     12      12.8907      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1015      2.00000
      2       1.7485      2.00000
      3       4.0834      2.00000
      4       4.3808      2.00000
      5       6.8673      0.00467
      6       7.5381      0.00001
      7       8.3305      0.00000
      8       9.0372      0.00000
      9       9.9434      0.00000
     10      11.4929      0.00000
     11      11.7611      0.00000
     12      13.0681      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9532      2.00000
      2       1.8583      2.00000
      3       3.1525      2.00000
      4       4.4660      2.00000
      5       7.1369      0.00032
      6       7.9327      0.00000
      7       8.3495      0.00000
      8       8.9278      0.00000
      9       9.9900      0.00000
     10      10.5887      0.00000
     11      12.3822      0.00000
     12      13.0764      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7090      2.00000
      2       1.8268      2.00000
      3       2.4289      2.00000
      4       4.6800      2.00000
      5       6.7146      0.02130
      6       7.7591      0.00000
      7       8.6953      0.00000
      8       9.4541      0.00000
      9       9.8160      0.00000
     10      10.5925      0.00000
     11      12.1301      0.00000
     12      13.0902      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3766      2.00000
      2       1.1154      2.00000
      3       2.5500      2.00000
      4       4.9423      2.00000
      5       5.9951      1.86973
      6       7.9885      0.00000
      7       8.3952      0.00000
      8       9.2106      0.00000
      9      10.1972      0.00000
     10      11.4753      0.00000
     11      11.8280      0.00000
     12      12.6976      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9785      2.00000
      2       0.3572      2.00000
      3       2.8994      2.00000
      4       4.9461      2.00000
      5       5.6549      1.99537
      6       7.6533      0.00000
      7       8.3654      0.00000
      8       9.4733      0.00000
      9      10.1759      0.00000
     10      11.1613      0.00000
     11      11.9743      0.00000
     12      13.1895      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6109      2.00000
      2      -0.1977      2.00000
      3       3.2364      2.00000
      4       4.5467      2.00000
      5       5.8972      1.94897
      6       7.1145      0.00040
      7       8.6650      0.00000
      8       9.7212      0.00000
      9       9.9171      0.00000
     10      11.1791      0.00000
     11      11.4694      0.00000
     12      13.1819      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8269      2.00000
      2       0.7987      2.00000
      3       4.6076      2.00000
      4       5.1381      1.99997
      5       6.6290      0.04946
      6       7.2639      0.00009
      7       7.8108      0.00000
      8       8.5802      0.00000
      9      10.3814      0.00000
     10      11.3395      0.00000
     11      12.3891      0.00000
     12      12.6030      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7768      2.00000
      2       0.8424      2.00000
      3       4.4380      2.00000
      4       4.7066      2.00000
      5       7.1398      0.00031
      6       7.3231      0.00005
      7       7.7225      0.00000
      8       8.4345      0.00000
      9      10.8698      0.00000
     10      11.3659      0.00000
     11      11.8074      0.00000
     12      12.5739      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6272      2.00000
      2       0.9698      2.00000
      3       3.4569      2.00000
      4       4.8058      2.00000
      5       6.7590      0.01373
      6       7.4667      0.00001
      7       7.9753      0.00000
      8       9.0799      0.00000
      9      10.7441      0.00000
     10      11.5080      0.00000
     11      11.6184      0.00000
     12      12.8501      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3806      2.00000
      2       1.1581      2.00000
      3       2.4998      2.00000
      4       4.9798      1.99999
      5       5.9693      1.89782
      6       7.7123      0.00000
      7       8.1947      0.00000
      8       9.7767      0.00000
      9      10.3587      0.00000
     10      11.6062      0.00000
     11      11.9399      0.00000
     12      12.5203      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0440      2.00000
      2       1.1971      2.00000
      3       1.8537      2.00000
      4       4.8487      2.00000
      5       5.6020      1.99727
      6       8.0421      0.00000
      7       8.3681      0.00000
      8       8.9611      0.00000
      9      11.1443      0.00000
     10      11.7552      0.00000
     11      11.8707      0.00000
     12      12.2068      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6380      2.00000
      2       0.6177      2.00000
      3       1.9971      2.00000
      4       4.2424      2.00000
      5       5.8910      1.95198
      6       7.9472      0.00000
      7       8.5084      0.00000
      8       8.8050      0.00000
      9      10.5742      0.00000
     10      11.2536      0.00000
     11      12.5419      0.00000
     12      12.6354      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2548      2.00000
      2       0.0688      2.00000
      3       2.2812      2.00000
      4       3.7673      2.00000
      5       6.2622      0.99634
      6       7.4096      0.00002
      7       8.9173      0.00000
      8       8.9615      0.00000
      9       9.9949      0.00000
     10      10.9547      0.00000
     11      12.7573      0.00000
     12      12.9757      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4388      2.00000
      2       0.0137      2.00000
      3       5.0287      1.99999
      4       5.5510      1.99836
      5       6.5654      0.09136
      6       7.1658      0.00024
      7       7.7574      0.00000
      8       7.8025      0.00000
      9       9.6367      0.00000
     10      11.8049      0.00000
     11      12.9868      0.00000
     12      13.0929      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3879      2.00000
      2       0.0578      2.00000
      3       4.8673      2.00000
      4       5.0854      1.99998
      5       6.6050      0.06247
      6       7.1270      0.00035
      7       7.7001      0.00000
      8       8.2815      0.00000
      9      10.0564      0.00000
     10      11.8838      0.00000
     11      12.2528      0.00000
     12      13.1127      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2357      2.00000
      2       0.1881      2.00000
      3       3.8434      2.00000
      4       5.1811      1.99996
      5       6.0465      1.79133
      6       6.9874      0.00141
      7       8.1157      0.00000
      8       9.2928      0.00000
      9      10.7916      0.00000
     10      11.1306      0.00000
     11      12.3434      0.00000
     12      13.0138      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9846      2.00000
      2       0.3969      2.00000
      3       2.8440      2.00000
      4       4.9741      1.99999
      5       5.6279      1.99646
      6       7.1891      0.00019
      7       8.3747      0.00000
      8      10.1224      0.00000
      9      10.5001      0.00000
     10      11.4372      0.00000
     11      12.0348      0.00000
     12      12.6138      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6401      2.00000
      2       0.6569      2.00000
      3       1.9491      2.00000
      4       4.2397      2.00000
      5       5.8829      1.95563
      6       7.4843      0.00001
      7       8.6600      0.00000
      8       9.2224      0.00000
      9      11.0937      0.00000
     10      11.1568      0.00000
     11      12.1073      0.00000
     12      12.6809      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.2196      2.00000
      2       0.7720      2.00000
      3       1.3546      2.00000
      4       3.5643      2.00000
      5       6.2824      0.89597
      6       7.8074      0.00000
      7       8.4325      0.00000
      8       8.9951      0.00000
      9      10.3684      0.00000
     10      11.0898      0.00000
     11      12.0421      0.00000
     12      13.8858      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.8072      2.00000
      2       0.3628      2.00000
      3       1.4290      2.00000
      4       3.1134      2.00000
      5       6.7026      0.02399
      6       7.7190      0.00000
      7       8.1905      0.00000
      8       9.3165      0.00000
      9       9.7926      0.00000
     10      10.8483      0.00000
     11      12.1302      0.00000
     12      14.1120      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0795      2.00000
      2      -0.5501      2.00000
      3       5.3264      1.99983
      4       5.9807      1.88624
      5       6.2152      1.22757
      6       7.1176      0.00038
      7       7.5514      0.00001
      8       7.9190      0.00000
      9       8.9695      0.00000
     10      11.5445      0.00000
     11      13.1689      0.00000
     12      14.2244      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0270      2.00000
      2      -0.5072      2.00000
      3       5.2745      1.99990
      4       5.3887      1.99968
      5       6.0668      1.75017
      6       6.7546      0.01433
      7       8.1593      0.00000
      8       8.3330      0.00000
      9       9.3123      0.00000
     10      11.6601      0.00000
     11      12.4157      0.00000
     12      13.7976      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8699      2.00000
      2      -0.3799      2.00000
      3       4.2211      2.00000
      4       5.3604      1.99976
      5       5.5426      1.99849
      6       6.6892      0.02740
      7       8.4359      0.00000
      8       9.4808      0.00000
      9      10.1176      0.00000
     10      11.3567      0.00000
     11      11.9797      0.00000
     12      12.9445      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.6095      2.00000
      2      -0.1741      2.00000
      3       3.1859      2.00000
      4       4.5310      2.00000
      5       5.7780      1.98423
      6       6.8706      0.00451
      7       8.6986      0.00000
      8      10.2288      0.00000
      9      10.3493      0.00000
     10      11.3312      0.00000
     11      11.7001      0.00000
     12      12.9167      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2492      2.00000
      2       0.0955      2.00000
      3       2.2328      2.00000
      4       3.7503      2.00000
      5       6.1197      1.60992
      6       7.1494      0.00028
      7       9.0064      0.00000
      8       9.4331      0.00000
      9      10.5225      0.00000
     10      10.9852      0.00000
     11      12.3721      0.00000
     12      12.8610      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7992      2.00000
      2       0.3901      2.00000
      3       1.3879      2.00000
      4       3.1017      2.00000
      5       6.5501      0.10567
      6       7.4721      0.00001
      7       8.5914      0.00000
      8       9.3795      0.00000
      9      10.1317      0.00000
     10      10.9086      0.00000
     11      11.7523      0.00000
     12      14.0098      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3193      2.00000
      2       0.5560      2.00000
      3       0.7731      2.00000
      4       2.6933      2.00000
      5       7.0188      0.00103
      6       7.7331      0.00000
      7       7.9313      0.00000
      8       9.5339      0.00000
      9       9.8796      0.00000
     10      10.8692      0.00000
     11      11.4123      0.00000
     12      13.8613      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2498      2.00000
      2       2.7376      2.00000
      3       3.0966      2.00000
      4       4.7056      2.00000
      5       6.3793      0.47094
      6       7.9577      0.00000
      7       8.1637      0.00000
      8       9.0253      0.00000
      9      10.6461      0.00000
     10      10.9141      0.00000
     11      11.9873      0.00000
     12      12.6965      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2002      2.00000
      2       2.7894      2.00000
      3       3.0960      2.00000
      4       4.1258      2.00000
      5       7.0585      0.00069
      6       8.0042      0.00000
      7       8.2101      0.00000
      8       9.0049      0.00000
      9       9.9529      0.00000
     10      10.5116      0.00000
     11      12.6533      0.00000
     12      13.1732      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0522      2.00000
      2       2.7965      2.00000
      3       2.9449      2.00000
      4       3.5420      2.00000
      5       8.0885      0.00000
      6       8.1269      0.00000
      7       8.3629      0.00000
      8       8.9010      0.00000
      9       8.9312      0.00000
     10      10.0666      0.00000
     11      13.2017      0.00000
     12      13.7812      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       1.9330      2.00000
      3       3.2030      2.00000
      4       3.6170      2.00000
      5       7.7919      0.00000
      6       8.0035      0.00000
      7       8.4930      0.00000
      8       8.6567      0.00000
      9       9.2002      0.00000
     10      10.4851      0.00000
     11      12.7147      0.00000
     12      13.3844      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4777      2.00000
      2       1.0521      2.00000
      3       3.5631      2.00000
      4       3.8558      2.00000
      5       6.8856      0.00389
      6       7.3709      0.00003
      7       8.8054      0.00000
      8       8.9700      0.00000
      9       9.4300      0.00000
     10      11.7608      0.00000
     11      11.9274      0.00000
     12      12.5173      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0821      2.00000
      2       0.2777      2.00000
      3       4.0222      2.00000
      4       4.1376      2.00000
      5       6.0395      1.80408
      6       6.7744      0.01178
      7       9.2471      0.00000
      8       9.3613      0.00000
      9       9.5548      0.00000
     10      11.1459      0.00000
     11      11.7010      0.00000
     12      12.9117      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7194      2.00000
      2      -0.2766      2.00000
      3       4.3570      2.00000
      4       4.5641      2.00000
      5       5.3025      1.99986
      6       6.3890      0.43679
      7       9.6188      0.00000
      8       9.7288      0.00000
      9       9.7886      0.00000
     10      10.4312      0.00000
     11      11.1467      0.00000
     12      12.8541      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -3.0161      2.00000
      2       1.8755      2.00000
      3       3.2414      2.00000
      4       4.9392      2.00000
      5       6.5176      0.14334
      6       7.4247      0.00002
      7       8.4860      0.00000
      8       9.7094      0.00000
      9       9.9299      0.00000
     10      11.0866      0.00000
     11      11.4767      0.00000
     12      12.7461      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9663      2.00000
      2       1.9191      2.00000
      3       3.2646      2.00000
      4       4.3352      2.00000
      5       7.0499      0.00075
      6       7.6196      0.00000
      7       8.4637      0.00000
      8       9.2025      0.00000
      9       9.9233      0.00000
     10      10.6151      0.00000
     11      12.1106      0.00000
     12      13.2641      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.8177      2.00000
      2       2.0371      2.00000
      3       3.1100      2.00000
      4       3.6373      2.00000
      5       7.3323      0.00004
      6       7.9962      0.00000
      7       8.4724      0.00000
      8       9.0456      0.00000
      9       9.3626      0.00000
     10      10.4489      0.00000
     11      13.0676      0.00000
     12      13.5450      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5732      2.00000
      2       1.9949      2.00000
      3       2.5265      2.00000
      4       3.7236      2.00000
      5       6.9397      0.00227
      6       7.6681      0.00000
      7       8.4991      0.00000
      8       8.9656      0.00000
      9       9.9425      0.00000
     10      10.7973      0.00000
     11      12.6291      0.00000
     12      13.1884      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2399      2.00000
      2       1.2472      2.00000
      3       2.7079      2.00000
      4       3.9894      2.00000
      5       6.1303      1.57562
      6       7.3735      0.00003
      7       8.2619      0.00000
      8       9.2470      0.00000
      9      10.4336      0.00000
     10      11.5746      0.00000
     11      12.1379      0.00000
     12      12.6184      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8401      2.00000
      2       0.4847      2.00000
      3       3.0756      2.00000
      4       4.2973      2.00000
      5       5.4027      1.99963
      6       6.7699      0.01232
      7       8.5068      0.00000
      8       9.5860      0.00000
      9      10.6818      0.00000
     10      10.9716      0.00000
     11      11.9118      0.00000
     12      13.5129      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4692      2.00000
      2      -0.0738      2.00000
      3       3.4263      2.00000
      4       4.4831      2.00000
      5       4.9505      2.00000
      6       6.3308      0.66673
      7       8.7614      0.00000
      8       9.9214      0.00000
      9      10.4145      0.00000
     10      10.9045      0.00000
     11      11.4340      0.00000
     12      13.4488      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6943      2.00000
      2       0.9710      2.00000
      3       3.5916      2.00000
      4       5.2662      1.99990
      5       6.2343      1.13536
      6       7.1968      0.00017
      7       8.6948      0.00000
      8       8.7682      0.00000
      9      10.7566      0.00000
     10      11.4458      0.00000
     11      11.4554      0.00000
     12      12.8599      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6442      2.00000
      2       1.0156      2.00000
      3       3.6228      2.00000
      4       4.6311      2.00000
      5       6.4036      0.38904
      6       7.7598      0.00000
      7       8.0928      0.00000
      8       8.9862      0.00000
      9      10.7270      0.00000
     10      11.2614      0.00000
     11      11.6486      0.00000
     12      13.2609      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4945      2.00000
      2       1.1458      2.00000
      3       3.4720      2.00000
      4       3.9063      2.00000
      5       6.4707      0.21970
      6       7.2833      0.00007
      7       8.7419      0.00000
      8       9.3624      0.00000
      9       9.7931      0.00000
     10      11.6503      0.00000
     11      12.3364      0.00000
     12      12.7377      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2478      2.00000
      2       1.3391      2.00000
      3       2.5992      2.00000
      4       4.0274      2.00000
      5       6.0472      1.79006
      6       7.0068      0.00116
      7       8.7820      0.00000
      8       9.2147      0.00000
      9      10.5646      0.00000
     10      11.5892      0.00000
     11      12.1364      0.00000
     12      13.0704      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.9107      2.00000
      2       1.3625      2.00000
      3       1.9846      2.00000
      4       4.2496      2.00000
      5       5.3475      1.99979
      6       7.1252      0.00035
      7       8.0241      0.00000
      8       9.4929      0.00000
      9      10.9318      0.00000
     10      11.7402      0.00000
     11      12.3985      0.00000
     12      12.9610      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.5037      2.00000
      2       0.7511      2.00000
      3       2.1712      2.00000
      4       4.2076      2.00000
      5       5.0406      1.99999
      6       6.9377      0.00231
      7       7.7557      0.00000
      8       9.7525      0.00000
      9      10.3725      0.00000
     10      11.7761      0.00000
     11      12.7551      0.00000
     12      13.6712      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.1183      2.00000
      2       0.1960      2.00000
      3       2.4740      2.00000
      4       3.8386      2.00000
      5       5.2394      1.99993
      6       6.5018      0.16587
      7       7.8983      0.00000
      8       9.7114      0.00000
      9      10.2804      0.00000
     10      11.4952      0.00000
     11      12.8599      0.00000
     12      14.2677      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.3058      2.00000
      2       0.1790      2.00000
      3       3.9927      2.00000
      4       5.6455      1.99578
      5       5.6754      1.99432
      6       7.4440      0.00001
      7       7.9401      0.00000
      8       8.8348      0.00000
      9      10.2319      0.00000
     10      11.8390      0.00000
     11      12.5859      0.00000
     12      12.9516      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2550      2.00000
      2       0.2237      2.00000
      3       4.0334      2.00000
      4       4.9801      1.99999
      5       5.7509      1.98795
      6       7.3797      0.00003
      7       8.1371      0.00000
      8       9.1129      0.00000
      9      10.6342      0.00000
     10      11.1569      0.00000
     11      12.5895      0.00000
     12      12.9828      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.1030      2.00000
      2       0.3560      2.00000
      3       3.9166      2.00000
      4       4.2167      2.00000
      5       5.6934      1.99320
      6       6.6606      0.03630
      7       9.1319      0.00000
      8       9.6254      0.00000
      9      10.1205      0.00000
     10      11.5571      0.00000
     11      11.9747      0.00000
     12      13.0626      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8520      2.00000
      2       0.5685      2.00000
      3       2.9582      2.00000
      4       4.3558      2.00000
      5       5.2608      1.99991
      6       6.4384      0.29125
      7       9.1316      0.00000
      8       9.5062      0.00000
      9      10.8307      0.00000
     10      11.2300      0.00000
     11      12.4086      0.00000
     12      13.3560      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.5078      2.00000
      2       0.8336      2.00000
      3       2.0705      2.00000
      4       4.2152      2.00000
      5       4.9915      1.99999
      6       6.5837      0.07670
      7       8.2420      0.00000
      8       9.7355      0.00000
      9      10.4666      0.00000
     10      12.2048      0.00000
     11      12.8977      0.00000
     12      13.2172      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0876      2.00000
      2       0.9333      2.00000
      3       1.5038      2.00000
      4       3.6414      2.00000
      5       5.2932      1.99988
      6       6.7866      0.01043
      7       7.4882      0.00001
      8       9.5713      0.00000
      9      10.3755      0.00000
     10      12.2329      0.00000
     11      13.2129      0.00000
     12      14.0006      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6751      2.00000
      2       0.4984      2.00000
      3       1.6188      2.00000
      4       3.1990      2.00000
      5       5.6781      1.99417
      6       6.7014      0.02428
      7       7.1646      0.00024
      8       9.2571      0.00000
      9      10.6285      0.00000
     10      11.8425      0.00000
     11      13.4747      0.00000
     12      14.4209      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9355      2.00000
      2      -0.4050      2.00000
      3       4.2523      2.00000
      4       5.3047      1.99986
      5       6.1083      1.64468
      6       7.2876      0.00007
      7       7.7398      0.00000
      8       8.8954      0.00000
      9       9.8760      0.00000
     10      12.0510      0.00000
     11      12.1941      0.00000
     12      13.3263      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8831      2.00000
      2      -0.3614      2.00000
      3       4.3020      2.00000
      4       5.2396      1.99993
      5       5.4737      1.99924
      6       6.8475      0.00568
      7       8.5040      0.00000
      8       9.2605      0.00000
      9      10.1005      0.00000
     10      11.3633      0.00000
     11      12.0994      0.00000
     12      13.0164      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7265      2.00000
      2      -0.2319      2.00000
      3       4.3394      2.00000
      4       4.4631      2.00000
      5       5.1001      1.99998
      6       6.2932      0.84272
      7       9.5943      0.00000
      8       9.8193      0.00000
      9      10.3365      0.00000
     10      10.8457      0.00000
     11      11.5710      0.00000
     12      12.9989      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4669      2.00000
      2      -0.0223      2.00000
      3       3.3222      2.00000
      4       4.4977      2.00000
      5       4.7274      2.00000
      6       6.1692      1.43134
      7       9.2994      0.00000
      8       9.8849      0.00000
      9      10.8334      0.00000
     10      11.1464      0.00000
     11      11.7677      0.00000
     12      13.5399      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.1079      2.00000
      2       0.2535      2.00000
      3       2.3736      2.00000
      4       3.8048      2.00000
      5       5.0611      1.99999
      6       6.3092      0.76613
      7       8.3782      0.00000
      8       9.9102      0.00000
      9      10.4141      0.00000
     10      11.9345      0.00000
     11      13.0416      0.00000
     12      13.4827      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6601      2.00000
      2       0.5566      2.00000
      3       1.5337      2.00000
      4       3.1747      2.00000
      5       5.4991      1.99902
      6       6.5235      0.13578
      7       7.5510      0.00001
      8       9.4176      0.00000
      9      10.7065      0.00000
     10      12.2335      0.00000
     11      12.9064      0.00000
     12      14.5535      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1852      2.00000
      2       0.7127      2.00000
      3       0.9463      2.00000
      4       2.7641      2.00000
      5       5.9833      1.88335
      6       6.6905      0.02704
      7       6.8714      0.00448
      8       9.0783      0.00000
      9      11.0647      0.00000
     10      12.0732      0.00000
     11      12.7496      0.00000
     12      14.8463      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7846      2.00000
      2       1.9563      2.00000
      3       2.4277      2.00000
      4       5.1688      1.99996
      5       6.1234      1.59846
      6       7.1930      0.00018
      7       9.6197      0.00000
      8       9.8994      0.00000
      9      10.1231      0.00000
     10      10.2478      0.00000
     11      11.4066      0.00000
     12      12.4431      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7347      2.00000
      2       2.0085      2.00000
      3       2.4558      2.00000
      4       4.5364      2.00000
      5       6.3141      0.74307
      6       7.7614      0.00000
      7       9.1479      0.00000
      8       9.4977      0.00000
      9       9.7504      0.00000
     10      10.5457      0.00000
     11      12.1288      0.00000
     12      12.8374      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5856      2.00000
      2       2.1649      2.00000
      3       2.5043      2.00000
      4       3.5973      2.00000
      5       6.4691      0.22282
      6       8.1129      0.00000
      7       8.6347      0.00000
      8       8.9812      0.00000
      9       9.8865      0.00000
     10      10.7343      0.00000
     11      12.6813      0.00000
     12      13.2510      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3401      2.00000
      2       2.2309      2.00000
      3       2.4252      2.00000
      4       3.0729      2.00000
      5       6.5795      0.07981
      6       7.0900      0.00050
      7       7.9261      0.00000
      8      10.1294      0.00000
      9      10.1700      0.00000
     10      10.9444      0.00000
     11      11.9935      0.00000
     12      13.8610      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0051      2.00000
      2       1.4584      2.00000
      3       2.7879      2.00000
      4       3.1880      2.00000
      5       6.1412      1.53819
      6       6.4720      0.21732
      7       7.5441      0.00001
      8      10.4743      0.00000
      9      10.5278      0.00000
     10      11.0851      0.00000
     11      12.4328      0.00000
     12      13.4498      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.6018      2.00000
      2       0.6972      2.00000
      3       3.2506      2.00000
      4       3.4307      2.00000
      5       5.2838      1.99989
      6       6.0705      1.74214
      7       7.6225      0.00000
      8      10.0765      0.00000
      9      10.9151      0.00000
     10      11.2137      0.00000
     11      12.7571      0.00000
     12      13.8453      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.2238      2.00000
      2       0.1333      2.00000
      3       3.6245      2.00000
      4       3.7965      2.00000
      5       4.5399      2.00000
      6       5.7464      1.98848
      7       7.7968      0.00000
      8       9.7072      0.00000
      9      11.3173      0.00000
     10      11.4411      0.00000
     11      12.0818      0.00000
     12      13.9193      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4644      2.00000
      2       1.2145      2.00000
      3       2.5955      2.00000
      4       5.4086      1.99960
      5       5.4911      1.99910
      6       7.3926      0.00002
      7       9.0472      0.00000
      8       9.9750      0.00000
      9      10.3884      0.00000
     10      11.0637      0.00000
     11      11.4227      0.00000
     12      12.5239      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4142      2.00000
      2       1.2613      2.00000
      3       2.6347      2.00000
      4       4.7943      2.00000
      5       5.5729      1.99796
      6       8.0265      0.00000
      7       8.4533      0.00000
      8       9.7618      0.00000
      9      10.2016      0.00000
     10      11.5226      0.00000
     11      11.7413      0.00000
     12      12.6637      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2642      2.00000
      2       1.3985      2.00000
      3       2.7378      2.00000
      4       3.8418      2.00000
      5       5.6605      1.99510
      6       7.4643      0.00001
      7       8.7980      0.00000
      8       9.3029      0.00000
      9      10.4218      0.00000
     10      11.5702      0.00000
     11      12.1298      0.00000
     12      12.8371      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.0169      2.00000
      2       1.6072      2.00000
      3       2.6502      2.00000
      4       3.1860      2.00000
      5       5.7267      1.99053
      6       6.5902      0.07207
      7       7.9179      0.00000
      8      10.4445      0.00000
      9      10.6315      0.00000
     10      11.1475      0.00000
     11      12.2991      0.00000
     12      13.8756      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6787      2.00000
      2       1.6262      2.00000
      3       2.1685      2.00000
      4       3.3445      2.00000
      5       5.3956      1.99965
      6       6.1663      1.44317
      7       7.1981      0.00017
      8      10.0194      0.00000
      9      10.9864      0.00000
     10      12.0214      0.00000
     11      12.8416      0.00000
     12      13.9988      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2692      2.00000
      2       0.9751      2.00000
      3       2.4258      2.00000
      4       3.6379      2.00000
      5       4.7389      2.00000
      6       5.9416      1.92156
      7       6.8894      0.00374
      8       9.4464      0.00000
      9      11.3582      0.00000
     10      12.4740      0.00000
     11      13.4613      0.00000
     12      14.2163      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8783      2.00000
      2       0.4107      2.00000
      3       2.7598      2.00000
      4       3.8250      2.00000
      5       4.2939      2.00000
      6       5.6175      1.99681
      7       6.9253      0.00261
      8       9.0924      0.00000
      9      11.6967      0.00000
     10      12.5957      0.00000
     11      13.0932      0.00000
     12      14.7750      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0739      2.00000
      2       0.4250      2.00000
      3       2.9628      2.00000
      4       4.7664      2.00000
      5       5.8964      1.94936
      6       7.6983      0.00000
      7       8.2164      0.00000
      8       9.8419      0.00000
      9      10.7862      0.00000
     10      10.9374      0.00000
     11      12.3333      0.00000
     12      12.6096      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0231      2.00000
      2       0.4710      2.00000
      3       3.0080      2.00000
      4       4.7247      2.00000
      5       5.3516      1.99978
      6       7.6462      0.00000
      7       8.4234      0.00000
      8      10.1091      0.00000
      9      10.3117      0.00000
     10      11.1488      0.00000
     11      12.1217      0.00000
     12      12.9658      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8711      2.00000
      2       0.6072      2.00000
      3       3.1370      2.00000
      4       4.1365      2.00000
      5       4.9934      1.99999
      6       6.7710      0.01218
      7       9.1283      0.00000
      8       9.6670      0.00000
      9      10.6486      0.00000
     10      11.1867      0.00000
     11      12.1913      0.00000
     12      13.4738      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6202      2.00000
      2       0.8269      2.00000
      3       3.0965      2.00000
      4       3.4486      2.00000
      5       4.9358      2.00000
      6       6.0291      1.82173
      7       8.1558      0.00000
      8      10.1985      0.00000
      9      10.8553      0.00000
     10      11.4086      0.00000
     11      13.2656      0.00000
     12      13.7082      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2758      2.00000
      2       1.1040      2.00000
      3       2.2688      2.00000
      4       3.6559      2.00000
      5       4.6067      2.00000
      6       5.7532      1.98767
      7       7.2727      0.00008
      8       9.5226      0.00000
      9      11.3223      0.00000
     10      12.7220      0.00000
     11      13.8883      0.00000
     12      14.0712      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.8548      2.00000
      2       1.1950      2.00000
      3       1.7347      2.00000
      4       3.6572      2.00000
      5       4.3906      2.00000
      6       5.7924      1.98181
      7       6.5394      0.11698
      8       8.9734      0.00000
      9      11.7092      0.00000
     10      13.4936      0.00000
     11      14.1896      0.00000
     12      14.4832      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.4398      2.00000
      2       0.7277      2.00000
      3       1.9061      2.00000
      4       3.3095      2.00000
      5       4.6496      2.00000
      6       5.6898      1.99344
      7       6.1833      1.37226
      8       8.6547      0.00000
      9      12.0592      0.00000
     10      13.1386      0.00000
     11      14.5731      0.00000
     12      14.9252      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6897      2.00000
      2      -0.1802      2.00000
      3       3.2050      2.00000
      4       4.4273      2.00000
      5       6.3314      0.66396
      6       7.5528      0.00000
      7       7.9985      0.00000
      8       9.5276      0.00000
      9      11.0252      0.00000
     10      11.0728      0.00000
     11      12.2698      0.00000
     12      12.5638      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6375      2.00000
      2      -0.1354      2.00000
      3       3.2557      2.00000
      4       4.4309      2.00000
      5       5.6698      1.99463
      6       7.0676      0.00063
      7       8.7611      0.00000
      8      10.0604      0.00000
      9      10.3564      0.00000
     10      11.1050      0.00000
     11      11.8081      0.00000
     12      13.2947      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4814      2.00000
      2      -0.0022      2.00000
      3       3.4075      2.00000
      4       4.3614      2.00000
      5       4.6806      2.00000
      6       6.2788      0.91356
      7       9.3029      0.00000
      8      10.0741      0.00000
      9      10.7506      0.00000
     10      10.9260      0.00000
     11      11.7216      0.00000
     12      13.7449      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2227      2.00000
      2       0.2141      2.00000
      3       3.5412      2.00000
      4       3.6620      2.00000
      5       4.3148      2.00000
      6       5.6873      1.99361
      7       8.2962      0.00000
      8       9.9968      0.00000
      9      11.3041      0.00000
     10      11.6005      0.00000
     11      12.6005      0.00000
     12      14.1776      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8651      2.00000
      2       0.5006      2.00000
      3       2.6085      2.00000
      4       3.8149      2.00000
      5       4.0461      2.00000
      6       5.5106      1.99890
      7       7.3635      0.00003
      8       9.3151      0.00000
      9      11.7010      0.00000
     10      12.9801      0.00000
     11      13.5310      0.00000
     12      14.7194      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.4194      2.00000
      2       0.8196      2.00000
      3       1.7755      2.00000
      4       3.2730      2.00000
      5       4.4685      2.00000
      6       5.5760      1.99789
      7       6.5282      0.12984
      8       8.7842      0.00000
      9      12.1025      0.00000
     10      13.6477      0.00000
     11      14.2391      0.00000
     12      14.8143      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.0512      2.00000
      2       0.9709      2.00000
      3       1.2201      2.00000
      4       2.8672      2.00000
      5       4.9603      2.00000
      6       5.6648      1.99489
      7       5.8385      1.97132
      8       8.4829      0.00000
      9      12.4890      0.00000
     10      13.4604      0.00000
     11      14.2054      0.00000
     12      15.9816      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.1431      2.00000
      2       1.3615      2.00000
      3       1.8472      2.00000
      4       4.6260      2.00000
      5       5.8098      1.97839
      6       7.6768      0.00000
      7       9.3388      0.00000
      8       9.5050      0.00000
      9      10.7005      0.00000
     10      11.3519      0.00000
     11      11.6736      0.00000
     12      12.4312      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0926      2.00000
      2       1.4140      2.00000
      3       1.8854      2.00000
      4       4.5882      2.00000
      5       5.2872      1.99988
      6       8.3419      0.00000
      7       8.6267      0.00000
      8       9.0288      0.00000
      9      11.3249      0.00000
     10      11.7621      0.00000
     11      11.8206      0.00000
     12      11.8838      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9420      2.00000
      2       1.5711      2.00000
      3       1.9937      2.00000
      4       4.0480      2.00000
      5       4.9334      2.00000
      6       7.5589      0.00000
      7       8.1286      0.00000
      8       9.6211      0.00000
      9      10.9654      0.00000
     10      11.6981      0.00000
     11      12.3673      0.00000
     12      12.9229      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6934      2.00000
      2       1.8325      2.00000
      3       2.1310      2.00000
      4       3.1728      2.00000
      5       5.0082      1.99999
      6       6.5245      0.13451
      7       7.2909      0.00007
      8      10.0732      0.00000
      9      11.0942      0.00000
     10      11.9677      0.00000
     11      12.7397      0.00000
     12      14.1429      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.3528      2.00000
      2       1.9519      2.00000
      3       2.1970      2.00000
      4       2.7088      2.00000
      5       5.1192      1.99998
      6       5.5691      1.99803
      7       6.5847      0.07597
      8       9.3889      0.00000
      9      12.3079      0.00000
     10      12.3498      0.00000
     11      13.2846      0.00000
     12      14.7860      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.9386      2.00000
      2       1.2756      2.00000
      3       2.6616      2.00000
      4       2.8685      2.00000
      5       4.7070      2.00000
      6       5.1166      1.99998
      7       6.1514      1.50091
      8       8.8395      0.00000
      9      12.7386      0.00000
     10      12.9401      0.00000
     11      14.4527      0.00000
     12      14.5714      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.5373      2.00000
      2       0.7025      2.00000
      3       3.0573      2.00000
      4       3.2084      2.00000
      5       3.9609      2.00000
      6       4.9742      1.99999
      7       6.0432      1.79744
      8       8.5238      0.00000
      9      13.1610      0.00000
     10      13.2398      0.00000
     11      13.8738      0.00000
     12      15.3140      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.7481      2.00000
      2       0.7330      2.00000
      3       2.0170      2.00000
      4       3.9827      2.00000
      5       6.2113      1.24564
      6       8.0145      0.00000
      7       8.5767      0.00000
      8       9.8352      0.00000
      9      10.3193      0.00000
     10      11.5851      0.00000
     11      11.7098      0.00000
     12      12.1804      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6972      2.00000
      2       0.7812      2.00000
      3       2.0636      2.00000
      4       3.9962      2.00000
      5       5.6066      1.99714
      6       7.9770      0.00000
      7       8.7319      0.00000
      8       9.2120      0.00000
      9      10.9331      0.00000
     10      11.2750      0.00000
     11      12.2215      0.00000
     12      12.3710      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5451      2.00000
      2       0.9244      2.00000
      3       2.2014      2.00000
      4       3.9731      2.00000
      5       4.6948      2.00000
      6       7.0134      0.00108
      7       8.2268      0.00000
      8       9.9143      0.00000
      9      10.4788      0.00000
     10      12.0377      0.00000
     11      12.6978      0.00000
     12      13.3929      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2937      2.00000
      2       1.1570      2.00000
      3       2.4183      2.00000
      4       3.4339      2.00000
      5       4.3559      2.00000
      6       6.0720      1.73857
      7       7.2670      0.00009
      8       9.5568      0.00000
      9      11.4909      0.00000
     10      12.5421      0.00000
     11      13.7603      0.00000
     12      14.0020      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.9484      2.00000
      2       1.4577      2.00000
      3       2.4665      2.00000
      4       2.8501      2.00000
      5       4.3625      2.00000
      6       5.2807      1.99989
      7       6.4004      0.39904
      8       8.9035      0.00000
      9      12.7162      0.00000
     10      13.1643      0.00000
     11      14.3289      0.00000
     12      14.9318      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.5250      2.00000
      2       1.5520      2.00000
      3       2.0297      2.00000
      4       3.1287      2.00000
      5       4.1169      2.00000
      6       4.8899      2.00000
      7       5.6887      1.99351
      8       8.4025      0.00000
      9      13.2067      0.00000
     10      14.2534      0.00000
     11      14.9716      0.00000
     12      15.1543      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.1037      2.00000
      2       1.0427      2.00000
      3       2.2824      2.00000
      4       3.3510      2.00000
      5       3.7748      2.00000
      6       4.7701      2.00000
      7       5.2912      1.99988
      8       8.1245      0.00000
      9      13.5852      0.00000
     10      14.4528      0.00000
     11      14.8730      0.00000
     12      16.2838      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.3457      2.00000
      2       0.1101      2.00000
      3       2.2380      2.00000
      4       3.6451      2.00000
      5       6.6479      0.04109
      6       7.9043      0.00000
      7       8.3422      0.00000
      8       9.8627      0.00000
      9      10.0999      0.00000
     10      11.3300      0.00000
     11      11.6931      0.00000
     12      12.5024      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2937      2.00000
      2       0.1568      2.00000
      3       2.2894      2.00000
      4       3.6627      2.00000
      5       5.9898      1.87599
      6       7.3700      0.00003
      7       9.0850      0.00000
      8       9.4400      0.00000
      9      10.3615      0.00000
     10      11.0473      0.00000
     11      12.4265      0.00000
     12      12.6151      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1382      2.00000
      2       0.2958      2.00000
      3       2.4431      2.00000
      4       3.7030      2.00000
      5       4.9505      2.00000
      6       6.4682      0.22473
      7       8.3817      0.00000
      8      10.0013      0.00000
      9      10.4711      0.00000
     10      11.7523      0.00000
     11      12.8008      0.00000
     12      13.7181      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8804      2.00000
      2       0.5225      2.00000
      3       2.6978      2.00000
      4       3.6586      2.00000
      5       4.0116      2.00000
      6       5.6168      1.99683
      7       7.3648      0.00003
      8       9.3235      0.00000
      9      11.8893      0.00000
     10      12.7676      0.00000
     11      13.3294      0.00000
     12      15.0513      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.5241      2.00000
      2       0.8258      2.00000
      3       2.9236      2.00000
      4       3.0489      2.00000
      5       3.7277      2.00000
      6       4.9930      1.99999
      7       6.4255      0.32494
      8       8.6942      0.00000
      9      13.1462      0.00000
     10      13.5083      0.00000
     11      14.4505      0.00000
     12      15.6839      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0802      2.00000
      2       1.1712      2.00000
      3       2.1055      2.00000
      4       3.3283      2.00000
      5       3.5482      2.00000
      6       4.7477      2.00000
      7       5.5840      1.99772
      8       8.2189      0.00000
      9      13.6050      0.00000
     10      14.8944      0.00000
     11      15.2835      0.00000
     12      15.6214      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.3879      2.00000
      2       1.3273      2.00000
      3       1.5877      2.00000
      4       2.9875      2.00000
      5       4.0150      2.00000
      6       4.7218      2.00000
      7       4.8873      2.00000
      8       7.9582      0.00000
      9      14.0030      0.00000
     10      14.9065      0.00000
     11      15.6950      0.00000
     12      16.2260      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.3420      2.00000
      2       0.9620      2.00000
      3       1.2822      2.00000
      4       3.3512      2.00000
      5       6.6112      0.05879
      6       8.3877      0.00000
      7       8.9649      0.00000
      8       9.0186      0.00000
      9      10.4364      0.00000
     10      10.9628      0.00000
     11      10.9985      0.00000
     12      13.3544      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2909      2.00000
      2       1.0146      2.00000
      3       1.3281      2.00000
      4       3.3725      2.00000
      5       5.9848      1.88178
      6       8.2542      0.00000
      7       8.4761      0.00000
      8       9.0983      0.00000
      9      10.5237      0.00000
     10      11.2253      0.00000
     11      11.7208      0.00000
     12      13.6017      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1380      2.00000
      2       1.1723      2.00000
      3       1.4637      2.00000
      4       3.4264      2.00000
      5       4.9821      1.99999
      6       7.1816      0.00020
      7       7.5379      0.00001
      8       9.7002      0.00000
      9      10.5103      0.00000
     10      12.5197      0.00000
     11      12.9109      0.00000
     12      13.7569      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.8852      2.00000
      2       1.4344      2.00000
      3       1.6814      2.00000
      4       3.4261      2.00000
      5       4.0945      2.00000
      6       6.1428      1.53231
      7       6.5961      0.06808
      8       9.0461      0.00000
      9      11.9013      0.00000
     10      13.7627      0.00000
     11      14.1450      0.00000
     12      14.1825      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.5371      2.00000
      2       1.7998      2.00000
      3       1.9531      2.00000
      4       2.9077      2.00000
      5       3.8485      2.00000
      6       5.1840      1.99996
      7       5.7379      1.98942
      8       8.4424      0.00000
      9      13.3981      0.00000
     10      14.2479      0.00000
     11      14.8553      0.00000
     12      15.3038      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.1081      2.00000
      2       1.9627      2.00000
      3       2.2655      2.00000
      4       2.4619      2.00000
      5       3.9388      2.00000
      6       4.3195      2.00000
      7       5.0138      1.99999
      8       7.9914      0.00000
      9      14.6524      0.00000
     10      14.6788      0.00000
     11      15.5334      0.00000
     12      15.9766      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.3269      2.00000
      2       1.4221      2.00000
      3       2.6511      2.00000
      4       2.8121      2.00000
      5       3.5727      2.00000
      6       4.0402      2.00000
      7       4.5225      2.00000
      8       7.7471      0.00000
      9      15.1070      0.00000
     10      15.1396      0.00000
     11      15.7277      0.00000
     12      16.8128      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.9131      2.00000
      2       0.4274      2.00000
      3       1.3713      2.00000
      4       3.0130      2.00000
      5       7.0502      0.00075
      6       8.3097      0.00000
      7       8.7634      0.00000
      8       9.2885      0.00000
      9      10.0748      0.00000
     10      10.5373      0.00000
     11      10.8945      0.00000
     12      13.3989      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8612      2.00000
      2       0.4768      2.00000
      3       1.4231      2.00000
      4       3.0341      2.00000
      5       6.3959      0.41385
      6       7.7074      0.00000
      7       8.6057      0.00000
      8       9.4948      0.00000
      9      10.1176      0.00000
     10      10.8953      0.00000
     11      11.6514      0.00000
     12      13.7821      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7060      2.00000
      2       0.6241      2.00000
      3       1.5781      2.00000
      4       3.0932      2.00000
      5       5.3543      1.99977
      6       6.7148      0.02127
      7       7.5559      0.00000
      8       9.4561      0.00000
      9      10.8558      0.00000
     10      12.1153      0.00000
     11      12.9469      0.00000
     12      14.2651      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4489      2.00000
      2       0.8663      2.00000
      3       1.8355      2.00000
      4       3.1721      2.00000
      5       4.3424      2.00000
      6       5.7413      1.98905
      7       6.5313      0.12617
      8       8.8026      0.00000
      9      12.3072      0.00000
     10      13.4921      0.00000
     11      14.3545      0.00000
     12      14.5480      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0934      2.00000
      2       1.1949      2.00000
      3       2.1927      2.00000
      4       3.1536      2.00000
      5       3.5086      2.00000
      6       4.8694      2.00000
      7       5.5859      1.99768
      8       8.2291      0.00000
      9      13.8313      0.00000
     10      14.7206      0.00000
     11      15.0779      0.00000
     12      15.7714      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.3499      2.00000
      2       1.5835      2.00000
      3       2.5018      2.00000
      4       2.6419      2.00000
      5       3.3400      2.00000
      6       4.1895      2.00000
      7       4.7391      2.00000
      8       7.8041      0.00000
      9      15.0821      0.00000
     10      15.4929      0.00000
     11      16.2282      0.00000
     12      16.6073      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.8192      2.00000
      2       1.7725      2.00000
      3       2.0251      2.00000
      4       3.0638      2.00000
      5       3.2151      2.00000
      6       3.8889      2.00000
      7       4.0386      2.00000
      8       7.5758      0.00000
      9      15.5440      0.00000
     10      16.3041      0.00000
     11      16.5699      0.00000
     12      17.1046      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.4317      2.00000
      2       0.5526      2.00000
      3       0.7615      2.00000
      4       2.6437      2.00000
      5       7.4975      0.00001
      6       8.4959      0.00000
      7       8.7780      0.00000
      8       9.2236      0.00000
      9      10.0208      0.00000
     10      10.1457      0.00000
     11      10.2661      0.00000
     12      13.3439      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3798      2.00000
      2       0.6041      2.00000
      3       0.8142      2.00000
      4       2.6642      2.00000
      5       6.8459      0.00578
      6       7.8294      0.00000
      7       8.0666      0.00000
      8       9.6888      0.00000
      9      10.0173      0.00000
     10      10.9096      0.00000
     11      11.0610      0.00000
     12      13.7240      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2244      2.00000
      2       0.7579      2.00000
      3       0.9720      2.00000
      4       2.7230      2.00000
      5       5.8028      1.97984
      6       6.7835      0.01076
      7       6.9918      0.00135
      8       9.1393      0.00000
      9      11.2997      0.00000
     10      12.2122      0.00000
     11      12.3829      0.00000
     12      14.6351      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.0333      2.00000
      2       1.0127      2.00000
      3       1.2345      2.00000
      4       2.8106      2.00000
      5       4.7809      2.00000
      6       5.7624      1.98649
      7       5.9510      1.91416
      8       8.5241      0.00000
      9      12.7575      0.00000
     10      13.6511      0.00000
     11      13.8203      0.00000
     12      15.8018      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.3902      2.00000
      2       1.3641      2.00000
      3       1.6004      2.00000
      4       2.9066      2.00000
      5       3.8445      2.00000
      6       4.8232      2.00000
      7       4.9907      1.99999
      8       7.9877      0.00000
      9      14.2897      0.00000
     10      15.1469      0.00000
     11      15.2895      0.00000
     12      16.1592      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.8370      2.00000
      2       1.7991      2.00000
      3       2.0665      2.00000
      4       2.8719      2.00000
      5       3.1330      2.00000
      6       3.9914      2.00000
      7       4.1250      2.00000
      8       7.5924      0.00000
      9      15.8110      0.00000
     10      16.5077      0.00000
     11      16.6140      0.00000
     12      16.7115      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.3182      2.00000
      2       2.2189      2.00000
      3       2.3083      2.00000
      4       2.6128      2.00000
      5       3.1092      2.00000
      6       3.3385      2.00000
      7       3.3782      2.00000
      8       7.3816      0.00003
      9      16.9237      0.00000
     10      16.9546      0.00000
     11      17.4299      0.00000
     12      17.8428      0.00000

 k-point   197 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5758      2.00000
      2       3.6458      2.00000
      3       4.3767      2.00000
      4       4.3821      2.00000
      5       5.6027      1.99725
      6       6.1681      1.43582
      7       7.8108      0.00000
      8      11.1974      0.00000
      9      11.5897      0.00000
     10      12.3871      0.00000
     11      12.8530      0.00000
     12      12.9973      0.00000

 k-point   198 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5265      2.00000
      2       3.5690      2.00000
      3       3.8386      2.00000
      4       4.4279      2.00000
      5       5.9345      1.92675
      6       6.5175      0.14349
      7       7.9625      0.00000
      8      10.8139      0.00000
      9      11.2797      0.00000
     10      11.7427      0.00000
     11      12.4867      0.00000
     12      12.8946      0.00000

 k-point   199 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3792      2.00000
      2       2.6483      2.00000
      3       3.8835      2.00000
      4       4.5747      2.00000
      5       6.1488      1.51064
      6       7.1463      0.00029
      7       8.6268      0.00000
      8       9.8351      0.00000
      9      10.4995      0.00000
     10      11.4674      0.00000
     11      11.8713      0.00000
     12      13.0586      0.00000

 k-point   200 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.1372      2.00000
      2       1.6631      2.00000
      3       4.1172      2.00000
      4       4.8180      2.00000
      5       6.3931      0.42313
      6       7.4513      0.00001
      7       8.8359      0.00000
      8       9.4714      0.00000
      9       9.9084      0.00000
     10      10.9711      0.00000
     11      11.7260      0.00000
     12      12.5951      0.00000

 k-point   201 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7610      2.00000
      3       4.4444      2.00000
      4       5.1544      1.99997
      5       6.6817      0.02949
      6       7.6006      0.00000
      7       8.0455      0.00000
      8       8.5457      0.00000
      9      10.1276      0.00000
     10      11.3461      0.00000
     11      11.9163      0.00000
     12      12.2947      0.00000

 k-point   202 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0162      2.00000
      3       4.8443      2.00000
      4       5.5719      1.99798
      5       6.7632      0.01316
      6       7.4565      0.00001
      7       7.6883      0.00000
      8       7.9408      0.00000
      9       9.3568      0.00000
     10      11.6012      0.00000
     11      12.4457      0.00000
     12      13.1213      0.00000

 k-point   203 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.0658      2.00000
      2      -0.5632      2.00000
      3       5.2337      1.99993
      4       6.0059      1.85594
      5       6.3567      0.55707
      6       7.0855      0.00053
      7       7.6195      0.00000
      8       8.1415      0.00000
      9       8.6931      0.00000
     10      11.4377      0.00000
     11      12.7773      0.00000
     12      14.1370      0.00000

 k-point   204 :       0.0000   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0561      2.00000
      2      -0.5838      2.00000
      3       5.0811      1.99999
      4       6.0139      1.84488
      5       6.4987      0.17062
      6       7.0744      0.00059
      7       7.6672      0.00000
      8       8.2800      0.00000
      9       8.5177      0.00000
     10      11.4532      0.00000
     11      12.9192      0.00000
     12      13.9759      0.00000

 k-point   205 :       0.0769   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0035      2.00000
      2      -0.5409      2.00000
      3       5.1158      1.99998
      4       5.3096      1.99985
      5       6.2791      0.91204
      6       6.8545      0.00530
      7       8.2971      0.00000
      8       8.6543      0.00000
      9       8.8190      0.00000
     10      11.5592      0.00000
     11      12.2357      0.00000
     12      14.0668      0.00000

 k-point   206 :       0.1538   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8459      2.00000
      2      -0.4140      2.00000
      3       4.2378      2.00000
      4       5.1617      1.99997
      5       5.5459      1.99844
      6       6.9556      0.00193
      7       8.6430      0.00000
      8       9.4355      0.00000
      9       9.8765      0.00000
     10      11.1094      0.00000
     11      12.0814      0.00000
     12      13.1428      0.00000

 k-point   207 :       0.2308   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5845      2.00000
      2      -0.2088      2.00000
      3       3.2028      2.00000
      4       4.5007      2.00000
      5       5.5744      1.99793
      6       7.1749      0.00022
      7       8.9054      0.00000
      8       9.9105      0.00000
      9      10.2190      0.00000
     10      11.2996      0.00000
     11      11.9638      0.00000
     12      13.1380      0.00000

 k-point   208 :       0.3077   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2224      2.00000
      2       0.0600      2.00000
      3       2.2476      2.00000
      4       3.7261      2.00000
      5       5.8887      1.95304
      6       7.4698      0.00001
      7       9.1484      0.00000
      8       9.3416      0.00000
      9      10.3041      0.00000
     10      11.1917      0.00000
     11      12.4640      0.00000
     12      12.8893      0.00000

 k-point   209 :       0.3846   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7686      2.00000
      2       0.3548      2.00000
      3       1.3965      2.00000
      4       3.0797      2.00000
      5       6.2906      0.85556
      6       7.7916      0.00000
      7       8.4589      0.00000
      8       9.7154      0.00000
      9      10.2235      0.00000
     10      10.7722      0.00000
     11      11.6894      0.00000
     12      13.8523      0.00000

 k-point   210 :       0.4615   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2782      2.00000
      2       0.5503      2.00000
      3       0.7388      2.00000
      4       2.6739      2.00000
      5       6.6962      0.02557
      6       7.7555      0.00000
      7       8.1890      0.00000
      8       9.8359      0.00000
      9      10.2220      0.00000
     10      10.7883      0.00000
     11      11.0102      0.00000
     12      13.7137      0.00000

 k-point   211 :       0.0000   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4006      2.00000
      2      -0.0555      2.00000
      3       4.6617      2.00000
      4       5.5947      1.99746
      5       6.8672      0.00467
      6       7.6837      0.00000
      7       7.7440      0.00000
      8       8.0500      0.00000
      9       9.0641      0.00000
     10      11.5462      0.00000
     11      12.5346      0.00000
     12      12.9918      0.00000

 k-point   212 :       0.0769   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3496      2.00000
      2      -0.0114      2.00000
      3       4.6584      2.00000
      4       4.9752      1.99999
      5       6.9145      0.00291
      6       7.3293      0.00005
      7       8.1391      0.00000
      8       8.3209      0.00000
      9       9.4978      0.00000
     10      11.5611      0.00000
     11      11.9519      0.00000
     12      13.2932      0.00000

 k-point   213 :       0.1538   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.1971      2.00000
      2       0.1192      2.00000
      3       3.8604      2.00000
      4       4.8629      2.00000
      5       6.0260      1.82671
      6       7.5797      0.00000
      7       8.4682      0.00000
      8       9.2370      0.00000
      9      10.2151      0.00000
     10      10.7521      0.00000
     11      12.3572      0.00000
     12      13.3001      0.00000

 k-point   214 :       0.2308   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9452      2.00000
      2       0.3289      2.00000
      3       2.8682      2.00000
      4       4.8610      2.00000
      5       5.3440      1.99979
      6       7.8303      0.00000
      7       8.7300      0.00000
      8       9.7082      0.00000
      9      10.1870      0.00000
     10      11.2035      0.00000
     11      12.6027      0.00000
     12      13.1053      0.00000

 k-point   215 :       0.3077   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.5995      2.00000
      2       0.5937      2.00000
      3       1.9689      2.00000
      4       4.1901      2.00000
      5       5.5076      1.99894
      6       8.1094      0.00000
      7       8.8981      0.00000
      8       9.0737      0.00000
      9      10.5879      0.00000
     10      11.7570      0.00000
     11      12.3348      0.00000
     12      12.6064      0.00000

 k-point   216 :       0.3846   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1767      2.00000
      2       0.7560      2.00000
      3       1.3236      2.00000
      4       3.5152      2.00000
      5       5.8782      1.95764
      6       7.9749      0.00000
      7       8.6395      0.00000
      8       9.4841      0.00000
      9      10.7474      0.00000
     10      11.0900      0.00000
     11      11.6440      0.00000
     12      13.8128      0.00000

 k-point   217 :       0.4615   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7588      2.00000
      2       0.3850      2.00000
      3       1.3514      2.00000
      4       3.0663      2.00000
      5       6.2467      1.07404
      6       7.4630      0.00001
      7       8.9037      0.00000
      8       9.9131      0.00000
      9      10.4534      0.00000
     10      10.7957      0.00000
     11      11.2685      0.00000
     12      13.7177      0.00000

 k-point   218 :       0.0000   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7923      2.00000
      2       0.7117      2.00000
      3       4.2918      2.00000
      4       5.1754      1.99996
      5       6.7352      0.01738
      6       7.7998      0.00000
      7       8.3631      0.00000
      8       8.4924      0.00000
      9       9.8294      0.00000
     10      11.3387      0.00000
     11      11.9633      0.00000
     12      12.1887      0.00000

 k-point   219 :       0.0769   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7421      2.00000
      2       0.7557      2.00000
      3       4.2561      2.00000
      4       4.6198      2.00000
      5       7.3106      0.00006
      6       7.6312      0.00000
      7       8.1687      0.00000
      8       8.5622      0.00000
      9      10.2634      0.00000
     10      11.2161      0.00000
     11      11.6040      0.00000
     12      12.3674      0.00000

 k-point   220 :       0.1538   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5923      2.00000
      2       0.8845      2.00000
      3       3.4644      2.00000
      4       4.5378      2.00000
      5       6.7118      0.02191
      6       8.1245      0.00000
      7       8.3151      0.00000
      8       9.1408      0.00000
      9      10.3167      0.00000
     10      10.8360      0.00000
     11      11.8182      0.00000
     12      12.8379      0.00000

 k-point   221 :       0.2308   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3454      2.00000
      2       1.0787      2.00000
      3       2.5139      2.00000
      4       4.7306      2.00000
      5       5.8443      1.96963
      6       8.3791      0.00000
      7       8.6096      0.00000
      8       9.4296      0.00000
      9      10.2831      0.00000
     10      11.2806      0.00000
     11      11.9629      0.00000
     12      13.0253      0.00000

 k-point   222 :       0.3077   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0080      2.00000
      2       1.1708      2.00000
      3       1.8179      2.00000
      4       4.7760      2.00000
      5       5.2750      1.99990
      6       8.3710      0.00000
      7       8.7335      0.00000
      8       9.1020      0.00000
      9      11.0309      0.00000
     10      11.8673      0.00000
     11      12.0950      0.00000
     12      12.4731      0.00000

 k-point   223 :       0.3846   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6006      2.00000
      2       0.6389      2.00000
      3       1.9134      2.00000
      4       4.1856      2.00000
      5       5.5249      1.99874
      6       7.6870      0.00000
      7       9.0832      0.00000
      8       9.4374      0.00000
      9      10.9634      0.00000
     10      11.7227      0.00000
     11      11.8870      0.00000
     12      12.6505      0.00000

 k-point   224 :       0.4615   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2142      2.00000
      2       0.0912      2.00000
      3       2.1922      2.00000
      4       3.7058      2.00000
      5       5.8666      1.96217
      6       7.1520      0.00027
      7       9.4046      0.00000
      8       9.8016      0.00000
      9      10.5714      0.00000
     10      11.2539      0.00000
     11      11.9566      0.00000
     12      12.9228      0.00000

 k-point   225 :       0.0000   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1242      2.00000
      2       1.6044      2.00000
      3       4.0083      2.00000
      4       4.8351      2.00000
      5       6.4507      0.26198
      6       7.5540      0.00000
      7       9.2573      0.00000
      8       9.4188      0.00000
      9       9.9346      0.00000
     10      10.6571      0.00000
     11      11.9240      0.00000
     12      12.2697      0.00000

 k-point   226 :       0.0769   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0745      2.00000
      2       1.6468      2.00000
      3       3.9418      2.00000
      4       4.3280      2.00000
      5       7.0410      0.00082
      6       7.6598      0.00000
      7       8.8345      0.00000
      8       9.3443      0.00000
      9       9.9676      0.00000
     10      11.0559      0.00000
     11      11.3043      0.00000
     12      12.6210      0.00000

 k-point   227 :       0.1538   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9260      2.00000
      2       1.7624      2.00000
      3       3.1477      2.00000
      4       4.2776      2.00000
      5       7.2412      0.00011
      6       8.0813      0.00000
      7       8.6054      0.00000
      8       9.5039      0.00000
      9       9.7960      0.00000
     10      10.6150      0.00000
     11      11.5626      0.00000
     12      13.2292      0.00000

 k-point   228 :       0.2308   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6816      2.00000
      2       1.7903      2.00000
      3       2.3778      2.00000
      4       4.4866      2.00000
      5       6.6069      0.06130
      6       8.0868      0.00000
      7       8.9693      0.00000
      8       9.5861      0.00000
      9      10.0294      0.00000
     10      10.7317      0.00000
     11      11.7371      0.00000
     12      12.7802      0.00000

 k-point   229 :       0.3077   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3487      2.00000
      2       1.1307      2.00000
      3       2.4520      2.00000
      4       4.7747      2.00000
      5       5.8247      1.97497
      6       8.1003      0.00000
      7       8.4241      0.00000
      8       9.9765      0.00000
      9      10.4985      0.00000
     10      11.5201      0.00000
     11      11.7137      0.00000
     12      12.6828      0.00000

 k-point   230 :       0.3846   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9496      2.00000
      2       0.3763      2.00000
      3       2.8007      2.00000
      4       4.9037      2.00000
      5       5.3399      1.99980
      6       7.4174      0.00002
      7       8.7196      0.00000
      8      10.3473      0.00000
      9      10.5298      0.00000
     10      11.3164      0.00000
     11      12.3870      0.00000
     12      12.7114      0.00000

 k-point   231 :       0.4615   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5799      2.00000
      2      -0.1796      2.00000
      3       3.1398      2.00000
      4       4.4824      2.00000
      5       5.5807      1.99779
      6       6.8928      0.00362
      7       9.0325      0.00000
      8      10.2004      0.00000
      9      10.7362      0.00000
     10      11.3794      0.00000
     11      12.1523      0.00000
     12      12.6986      0.00000

 k-point   232 :       0.0000   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3703      2.00000
      2       2.5759      2.00000
      3       3.8277      2.00000
      4       4.5873      2.00000
      5       6.1969      1.31234
      6       7.2061      0.00016
      7       8.6821      0.00000
      8      10.2930      0.00000
      9      10.4386      0.00000
     10      11.4595      0.00000
     11      11.7619      0.00000
     12      12.6548      0.00000

 k-point   233 :       0.0769   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3208      2.00000
      2       2.6138      2.00000
      3       3.7230      2.00000
      4       4.1293      2.00000
      5       6.7775      0.01142
      6       7.3449      0.00004
      7       8.7142      0.00000
      8       9.8037      0.00000
      9      10.3309      0.00000
     10      11.1411      0.00000
     11      11.8271      0.00000
     12      13.0146      0.00000

 k-point   234 :       0.1538   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1730      2.00000
      2       2.6046      2.00000
      3       3.0269      2.00000
      4       4.1137      2.00000
      5       7.1750      0.00022
      6       8.1157      0.00000
      7       8.6796      0.00000
      8       9.1122      0.00000
      9      10.0316      0.00000
     10      10.6890      0.00000
     11      12.0828      0.00000
     12      13.0109      0.00000

 k-point   235 :       0.2308   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9300      2.00000
      2       1.8215      2.00000
      3       3.0779      2.00000
      4       4.3252      2.00000
      5       7.1983      0.00017
      6       8.0694      0.00000
      7       8.4453      0.00000
      8       9.2649      0.00000
      9      10.0613      0.00000
     10      10.9115      0.00000
     11      11.9119      0.00000
     12      12.6675      0.00000

 k-point   236 :       0.3077   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.5996      2.00000
      2       0.9389      2.00000
      3       3.3901      2.00000
      4       4.6286      2.00000
      5       6.6636      0.03525
      6       7.8648      0.00000
      7       8.1026      0.00000
      8       9.2644      0.00000
      9      10.9398      0.00000
     10      11.2314      0.00000
     11      11.7305      0.00000
     12      12.6665      0.00000

 k-point   237 :       0.3846   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2055      2.00000
      2       0.1646      2.00000
      3       3.7845      2.00000
      4       4.9905      1.99999
      5       5.9606      1.90600
      6       7.2158      0.00014
      7       8.3948      0.00000
      8       9.4186      0.00000
      9      10.5468      0.00000
     10      11.3965      0.00000
     11      12.3762      0.00000
     12      12.9836      0.00000

 k-point   238 :       0.4615   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8456      2.00000
      2      -0.3874      2.00000
      3       4.1663      2.00000
      4       5.2689      1.99990
      5       5.4606      1.99934
      6       6.7153      0.02117
      7       8.7198      0.00000
      8       9.5617      0.00000
      9      10.0119      0.00000
     10      11.7637      0.00000
     11      12.1173      0.00000
     12      13.2977      0.00000

 k-point   239 :       0.0000   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2       3.4614      2.00000
      3       3.8629      2.00000
      4       4.4359      2.00000
      5       5.9680      1.89909
      6       6.5502      0.10556
      7       7.9936      0.00000
      8      11.3484      0.00000
      9      11.3939      0.00000
     10      11.8570      0.00000
     11      11.8948      0.00000
     12      12.7803      0.00000

 k-point   240 :       0.0769   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4725      2.00000
      2       3.5115      2.00000
      3       3.6191      2.00000
      4       4.0979      2.00000
      5       6.5857      0.07524
      6       6.6042      0.06292
      7       8.1099      0.00000
      8      10.6648      0.00000
      9      11.0382      0.00000
     10      11.5318      0.00000
     11      12.1047      0.00000
     12      13.0640      0.00000

 k-point   241 :       0.1538   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3251      2.00000
      2       2.6854      2.00000
      3       3.6620      2.00000
      4       4.1617      2.00000
      5       6.7457      0.01565
      6       7.3466      0.00004
      7       8.6703      0.00000
      8       9.6313      0.00000
      9      10.1332      0.00000
     10      11.6326      0.00000
     11      12.1407      0.00000
     12      12.6031      0.00000

 k-point   242 :       0.2308   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0829      2.00000
      2       1.7077      2.00000
      3       3.9110      2.00000
      4       4.3780      2.00000
      5       6.9774      0.00155
      6       7.6287      0.00000
      7       8.6472      0.00000
      8       9.1320      0.00000
      9      10.0082      0.00000
     10      11.4718      0.00000
     11      11.8598      0.00000
     12      12.6485      0.00000

 k-point   243 :       0.3077   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7539      2.00000
      2       0.8081      2.00000
      3       4.2549      2.00000
      4       4.6821      2.00000
      5       7.1887      0.00019
      6       7.5772      0.00000
      7       7.8663      0.00000
      8       8.5842      0.00000
      9      10.6251      0.00000
     10      11.3865      0.00000
     11      12.0820      0.00000
     12      12.4470      0.00000

 k-point   244 :       0.3846   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3625      2.00000
      2       0.0312      2.00000
      3       4.6823      2.00000
      4       5.0463      1.99999
      5       6.7467      0.01550
      6       7.1485      0.00028
      7       7.9416      0.00000
      8       8.4366      0.00000
      9       9.8221      0.00000
     10      11.8058      0.00000
     11      12.4481      0.00000
     12      13.2909      0.00000

 k-point   245 :       0.4615   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0080      2.00000
      2      -0.5173      2.00000
      3       5.1278      1.99998
      4       5.3775      1.99971
      5       6.1435      1.52995
      6       6.7036      0.02375
      7       8.4362      0.00000
      8       8.4613      0.00000
      9       9.1031      0.00000
     10      11.6190      0.00000
     11      12.8409      0.00000
     12      13.7597      0.00000

 k-point   246 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6201      2.00000
      3       4.5133      2.00000
      4       4.5292      2.00000
      5       5.7657      1.98604
      6       6.7679      0.01256
      7       8.5847      0.00000
      8      10.1867      0.00000
      9      10.4717      0.00000
     10      11.6050      0.00000
     11      12.8796      0.00000
     12      12.9442      0.00000

 k-point   247 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3790      2.00000
      2       2.6528      2.00000
      3       3.8831      2.00000
      4       4.5655      2.00000
      5       6.1480      1.51343
      6       7.1423      0.00030
      7       8.6337      0.00000
      8       9.8034      0.00000
      9      10.3042      0.00000
     10      11.8089      0.00000
     11      12.0079      0.00000
     12      12.8903      0.00000

 k-point   248 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5873      2.00000
      3       3.0739      2.00000
      4       4.7119      2.00000
      5       6.4119      0.36367
      6       8.0602      0.00000
      7       8.6655      0.00000
      8       9.1533      0.00000
      9      10.3665      0.00000
     10      10.7435      0.00000
     11      11.9924      0.00000
     12      12.7093      0.00000

 k-point   249 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7735      2.00000
      3       3.1327      2.00000
      4       4.9544      2.00000
      5       6.5712      0.08643
      6       7.9294      0.00000
      7       8.6021      0.00000
      8       9.6061      0.00000
      9      10.0416      0.00000
     10      10.6561      0.00000
     11      11.4323      0.00000
     12      12.8030      0.00000

 k-point   250 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.6588      2.00000
      2       0.8883      2.00000
      3       3.4358      2.00000
      4       5.2889      1.99988
      5       6.4656      0.22989
      6       7.4779      0.00001
      7       8.6036      0.00000
      8       8.9148      0.00000
      9      10.6085      0.00000
     10      11.0410      0.00000
     11      11.5367      0.00000
     12      12.6456      0.00000

 k-point   251 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.2657      2.00000
      2       0.1138      2.00000
      3       3.8194      2.00000
      4       5.6931      1.99323
      5       5.9377      1.92446
      6       7.5875      0.00000
      7       7.8458      0.00000
      8       8.9906      0.00000
      9      10.1254      0.00000
     10      11.3695      0.00000
     11      12.2659      0.00000
     12      12.9347      0.00000

 k-point   252 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.9081      2.00000
      2      -0.4365      2.00000
      3       4.1863      2.00000
      4       5.4112      1.99959
      5       6.1359      1.55666
      6       7.2255      0.00013
      7       7.8090      0.00000
      8       8.9764      0.00000
      9       9.8534      0.00000
     10      11.7037      0.00000
     11      11.9962      0.00000
     12      13.2352      0.00000

 k-point   253 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3882      2.00000
      2       2.7144      2.00000
      3       3.9443      2.00000
      4       4.5685      2.00000
      5       6.0989      1.67132
      6       7.0773      0.00057
      7       8.5429      0.00000
      8       9.3295      0.00000
      9      10.5723      0.00000
     10      11.9405      0.00000
     11      12.0185      0.00000
     12      12.9700      0.00000

 k-point   254 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3387      2.00000
      2       2.7479      2.00000
      3       3.8130      2.00000
      4       4.1299      2.00000
      5       6.6384      0.04510
      6       7.2696      0.00008
      7       8.6005      0.00000
      8       9.2968      0.00000
      9      10.0394      0.00000
     10      11.2543      0.00000
     11      12.5621      0.00000
     12      13.2533      0.00000

 k-point   255 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1910      2.00000
      2       2.6581      2.00000
      3       3.1176      2.00000
      4       4.1883      2.00000
      5       7.0130      0.00109
      6       8.0699      0.00000
      7       8.7369      0.00000
      8       8.9802      0.00000
      9       9.5687      0.00000
     10      10.3874      0.00000
     11      12.6147      0.00000
     12      13.4260      0.00000

 k-point   256 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9482      2.00000
      2       1.8135      2.00000
      3       3.2182      2.00000
      4       4.4083      2.00000
      5       7.1714      0.00022
      6       8.0056      0.00000
      7       8.5473      0.00000
      8       9.0977      0.00000
      9       9.6640      0.00000
     10      10.3633      0.00000
     11      11.9062      0.00000
     12      13.3411      0.00000

 k-point   257 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.6181      2.00000
      2       0.9269      2.00000
      3       3.5275      2.00000
      4       4.7125      2.00000
      5       6.8281      0.00690
      6       7.7872      0.00000
      7       8.1511      0.00000
      8       8.9801      0.00000
      9      10.0438      0.00000
     10      11.0895      0.00000
     11      11.6630      0.00000
     12      12.8044      0.00000

 k-point   258 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.2246      2.00000
      2       0.1519      2.00000
      3       3.9138      2.00000
      4       5.0658      1.99999
      5       6.1551      1.48693
      6       7.3895      0.00003
      7       8.1417      0.00000
      8       9.1590      0.00000
      9      10.2886      0.00000
     10      10.5159      0.00000
     11      12.2055      0.00000
     12      12.9287      0.00000

 k-point   259 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8660      2.00000
      2      -0.3993      2.00000
      3       4.2795      2.00000
      4       5.3105      1.99985
      5       5.7000      1.99274
      6       6.8916      0.00366
      7       8.4295      0.00000
      8       9.2976      0.00000
      9       9.8991      0.00000
     10      10.7361      0.00000
     11      11.7359      0.00000
     12      12.7935      0.00000

 k-point   260 :       0.0000   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8880      2.00000
      2      -0.4735      2.00000
      3       4.0276      2.00000
      4       5.5995      1.99734
      5       6.1741      1.41117
      6       7.2018      0.00016
      7       7.8504      0.00000
      8       8.9678      0.00000
      9       9.7840      0.00000
     10      11.8101      0.00000
     11      11.9688      0.00000
     12      13.2797      0.00000

 k-point   261 :       0.0769   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8354      2.00000
      2      -0.4300      2.00000
      3       4.0722      2.00000
      4       5.3589      1.99976
      5       5.7155      1.99153
      6       6.7796      0.01118
      7       8.6154      0.00000
      8       9.4758      0.00000
      9       9.8368      0.00000
     10      11.1179      0.00000
     11      12.0441      0.00000
     12      13.2060      0.00000

 k-point   262 :       0.1538   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6778      2.00000
      2      -0.3013      2.00000
      3       4.1907      2.00000
      4       4.3935      2.00000
      5       5.3133      1.99985
      6       6.3701      0.50468
      7       9.8167      0.00000
      8      10.0596      0.00000
      9      10.1489      0.00000
     10      10.3618      0.00000
     11      11.7808      0.00000
     12      12.9473      0.00000

 k-point   263 :       0.2308   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4163      2.00000
      2      -0.0927      2.00000
      3       3.3564      2.00000
      4       4.2882      2.00000
      5       4.7528      2.00000
      6       6.3905      0.43176
      7       9.1237      0.00000
      8      10.2150      0.00000
      9      10.8772      0.00000
     10      11.2121      0.00000
     11      11.5200      0.00000
     12      13.5048      0.00000

 k-point   264 :       0.3077   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0537      2.00000
      2       0.1816      2.00000
      3       2.4046      2.00000
      4       3.7476      2.00000
      5       4.8728      2.00000
      6       6.5836      0.07679
      7       8.2401      0.00000
      8      10.2548      0.00000
      9      10.5625      0.00000
     10      11.6331      0.00000
     11      13.0168      0.00000
     12      13.7161      0.00000

 k-point   265 :       0.3846   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.5987      2.00000
      2       0.4850      2.00000
      3       1.5528      2.00000
      4       3.1284      2.00000
      5       5.2535      1.99992
      6       6.7958      0.00951
      7       7.4979      0.00001
      8       9.6511      0.00000
      9      10.9925      0.00000
     10      11.9370      0.00000
     11      12.9415      0.00000
     12      14.5971      0.00000

 k-point   266 :       0.4615   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1035      2.00000
      2       0.7013      2.00000
      3       0.8792      2.00000
      4       2.7237      2.00000
      5       5.6458      1.99577
      6       6.7039      0.02369
      7       7.1978      0.00017
      8       9.2750      0.00000
      9      11.4730      0.00000
     10      12.1027      0.00000
     11      12.2915      0.00000
     12      14.6123      0.00000

 k-point   267 :       0.0000   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2292      2.00000
      2       0.0386      2.00000
      3       3.6331      2.00000
      4       5.7625      1.98648
      5       6.1779      1.39531
      6       7.7411      0.00000
      7       7.7930      0.00000
      8       9.0653      0.00000
      9       9.9765      0.00000
     10      11.4179      0.00000
     11      11.9794      0.00000
     12      12.7046      0.00000

 k-point   268 :       0.0769   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.1781      2.00000
      2       0.0834      2.00000
      3       3.6707      2.00000
      4       5.0693      1.99999
      5       6.3474      0.59527
      6       7.2322      0.00012
      7       8.3939      0.00000
      8       9.4483      0.00000
      9      10.2190      0.00000
     10      10.7274      0.00000
     11      12.1859      0.00000
     12      13.1647      0.00000

 k-point   269 :       0.1538   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       0.2163      2.00000
      3       3.7186      2.00000
      4       4.1314      2.00000
      5       6.0071      1.85436
      6       6.8413      0.00605
      7       9.5595      0.00000
      8       9.7451      0.00000
      9       9.8141      0.00000
     10      10.9110      0.00000
     11      12.3551      0.00000
     12      13.0252      0.00000

 k-point   270 :       0.2308   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.7732      2.00000
      2       0.4307      2.00000
      3       2.9976      2.00000
      4       4.0466      2.00000
      5       5.2186      1.99994
      6       6.9576      0.00189
      7       8.8053      0.00000
      8      10.0471      0.00000
      9      10.9164      0.00000
     10      11.4278      0.00000
     11      11.9418      0.00000
     12      13.6164      0.00000

 k-point   271 :       0.3077   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4266      2.00000
      2       0.7052      2.00000
      3       2.1101      2.00000
      4       4.0596      2.00000
      5       4.6870      2.00000
      6       7.1312      0.00033
      7       8.0257      0.00000
      8      10.3579      0.00000
      9      10.9108      0.00000
     10      11.7391      0.00000
     11      12.8102      0.00000
     12      13.5591      0.00000

 k-point   272 :       0.3846   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0018      2.00000
      2       0.9014      2.00000
      3       1.4421      2.00000
      4       3.5392      2.00000
      5       4.8792      2.00000
      6       6.9384      0.00229
      7       7.7754      0.00000
      8      10.1703      0.00000
      9      10.8747      0.00000
     10      12.0695      0.00000
     11      12.8857      0.00000
     12      14.1596      0.00000

 k-point   273 :       0.4615   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.5787      2.00000
      2       0.5438      2.00000
      3       1.4639      2.00000
      4       3.1018      2.00000
      5       5.1935      1.99995
      6       6.4943      0.17764
      7       7.9332      0.00000
      8       9.7746      0.00000
      9      11.2748      0.00000
     10      12.1067      0.00000
     11      12.4559      0.00000
     12      14.5545      0.00000

 k-point   274 :       0.0000   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6253      2.00000
      2       0.7924      2.00000
      3       3.2831      2.00000
      4       5.3405      1.99980
      5       6.6153      0.05652
      6       7.8184      0.00000
      7       8.5922      0.00000
      8       8.9635      0.00000
      9      10.4868      0.00000
     10      11.0660      0.00000
     11      11.5022      0.00000
     12      12.1848      0.00000

 k-point   275 :       0.0769   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.5750      2.00000
      2       0.8378      2.00000
      3       3.3138      2.00000
      4       4.7051      2.00000
      5       7.0234      0.00098
      6       7.8525      0.00000
      7       8.2428      0.00000
      8       9.2684      0.00000
      9      10.3563      0.00000
     10      10.9164      0.00000
     11      11.7548      0.00000
     12      12.4996      0.00000

 k-point   276 :       0.1538   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4249      2.00000
      2       0.9708      2.00000
      3       3.3034      2.00000
      4       3.8379      2.00000
      5       6.8136      0.00797
      6       7.5065      0.00001
      7       9.1256      0.00000
      8       9.3517      0.00000
      9       9.6748      0.00000
     10      11.6039      0.00000
     11      11.9923      0.00000
     12      12.9690      0.00000

 k-point   277 :       0.2308   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.1774      2.00000
      2       1.1759      2.00000
      3       2.6129      2.00000
      4       3.7702      2.00000
      5       5.9385      1.92390
      6       7.6473      0.00000
      7       8.5446      0.00000
      8       9.6645      0.00000
      9      10.6948      0.00000
     10      12.0291      0.00000
     11      12.1246      0.00000
     12      12.8522      0.00000

 k-point   278 :       0.3077   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8390      2.00000
      2       1.3098      2.00000
      3       1.9066      2.00000
      4       4.0027      2.00000
      5       5.1279      1.99998
      6       7.3745      0.00003
      7       8.2792      0.00000
      8      10.0036      0.00000
      9      11.6367      0.00000
     10      11.9384      0.00000
     11      12.4025      0.00000
     12      12.8483      0.00000

 k-point   279 :       0.3846   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4291      2.00000
      2       0.7947      2.00000
      3       2.0004      2.00000
      4       4.0739      2.00000
      5       4.6646      2.00000
      6       6.7420      0.01624
      7       8.5342      0.00000
      8      10.3559      0.00000
      9      11.0246      0.00000
     10      12.1938      0.00000
     11      12.7970      0.00000
     12      13.0417      0.00000

 k-point   280 :       0.4615   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0374      2.00000
      2       0.2410      2.00000
      3       2.2967      2.00000
      4       3.7127      2.00000
      5       4.8170      2.00000
      6       6.2688      0.96355
      7       8.7969      0.00000
      8      10.4375      0.00000
      9      10.8447      0.00000
     10      11.8629      0.00000
     11      13.0735      0.00000
     12      13.1678      0.00000

 k-point   281 :       0.0000   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9623      2.00000
      2       1.6543      2.00000
      3       3.0334      2.00000
      4       4.9961      1.99999
      5       6.6172      0.05547
      6       8.4251      0.00000
      7       8.7280      0.00000
      8       9.5028      0.00000
      9      10.1058      0.00000
     10      10.8046      0.00000
     11      11.1532      0.00000
     12      12.4319      0.00000

 k-point   282 :       0.0769   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9125      2.00000
      2       1.7000      2.00000
      3       3.0550      2.00000
      4       4.3944      2.00000
      5       7.2708      0.00008
      6       8.4761      0.00000
      7       8.5321      0.00000
      8       9.2240      0.00000
      9       9.8467      0.00000
     10      10.6422      0.00000
     11      11.6709      0.00000
     12      12.7978      0.00000

 k-point   283 :       0.1538   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7636      2.00000
      2       1.8296      2.00000
      3       2.9798      2.00000
      4       3.6075      2.00000
      5       7.6621      0.00000
      6       8.1700      0.00000
      7       8.8468      0.00000
      8       9.0397      0.00000
      9       9.4062      0.00000
     10      10.7352      0.00000
     11      12.2804      0.00000
     12      13.4462      0.00000

 k-point   284 :       0.2308   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5186      2.00000
      2       1.9210      2.00000
      3       2.3929      2.00000
      4       3.5656      2.00000
      5       6.7606      0.01351
      6       7.9835      0.00000
      7       8.7915      0.00000
      8       9.2852      0.00000
      9      10.2043      0.00000
     10      11.0705      0.00000
     11      12.5990      0.00000
     12      13.5098      0.00000

 k-point   285 :       0.3077   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.1844      2.00000
      2       1.2790      2.00000
      3       2.4920      2.00000
      4       3.8122      2.00000
      5       5.8921      1.95144
      6       7.2367      0.00012
      7       9.0852      0.00000
      8       9.6215      0.00000
      9      10.8240      0.00000
     10      12.0438      0.00000
     11      12.6192      0.00000
     12      12.7276      0.00000

 k-point   286 :       0.3846   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.7826      2.00000
      2       0.5229      2.00000
      3       2.8667      2.00000
      4       4.1213      2.00000
      5       5.1313      1.99998
      6       6.5660      0.09084
      7       9.4475      0.00000
      8      10.0031      0.00000
      9      11.1218      0.00000
     10      11.8198      0.00000
     11      12.1718      0.00000
     12      13.3429      0.00000

 k-point   287 :       0.4615   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4074      2.00000
      2      -0.0378      2.00000
      3       3.2342      2.00000
      4       4.3420      2.00000
      5       4.6162      2.00000
      6       6.1198      1.60965
      7       9.7472      0.00000
      8      10.3943      0.00000
      9      11.2171      0.00000
     10      11.3455      0.00000
     11      11.7266      0.00000
     12      13.5174      0.00000

 k-point   288 :       0.0000   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2134      2.00000
      2       2.4329      2.00000
      3       3.0467      2.00000
      4       4.7439      2.00000
      5       6.4465      0.27178
      6       8.1482      0.00000
      7       8.9942      0.00000
      8       9.4471      0.00000
      9      10.3646      0.00000
     10      10.7901      0.00000
     11      11.6596      0.00000
     12      12.5574      0.00000

 k-point   289 :       0.0769   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1638      2.00000
      2       2.4841      2.00000
      3       3.0449      2.00000
      4       4.1716      2.00000
      5       7.1279      0.00035
      6       8.1794      0.00000
      7       8.9953      0.00000
      8       9.3859      0.00000
      9       9.7108      0.00000
     10      10.4959      0.00000
     11      12.1623      0.00000
     12      12.9939      0.00000

 k-point   290 :       0.1538   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0156      2.00000
      2       2.6373      2.00000
      3       2.7802      2.00000
      4       3.5590      2.00000
      5       8.1621      0.00000
      6       8.2211      0.00000
      7       8.7959      0.00000
      8       8.8442      0.00000
      9       9.3366      0.00000
     10      10.3267      0.00000
     11      12.5312      0.00000
     12      13.5181      0.00000

 k-point   291 :       0.2308   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7719      2.00000
      2       1.9506      2.00000
      3       2.8916      2.00000
      4       3.6059      2.00000
      5       7.4906      0.00001
      6       7.9528      0.00000
      7       8.7542      0.00000
      8       9.3710      0.00000
      9       9.5734      0.00000
     10      10.7538      0.00000
     11      12.6635      0.00000
     12      13.2183      0.00000

 k-point   292 :       0.3077   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4401      2.00000
      2       1.0769      2.00000
      3       3.2438      2.00000
      4       3.8472      2.00000
      5       6.6009      0.06497
      6       7.2385      0.00011
      7       9.0583      0.00000
      8       9.7015      0.00000
      9      10.0426      0.00000
     10      11.9231      0.00000
     11      12.1357      0.00000
     12      13.2255      0.00000

 k-point   293 :       0.3846   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0433      2.00000
      2       0.3039      2.00000
      3       3.6853      2.00000
      4       4.1442      2.00000
      5       5.7802      1.98388
      6       6.6069      0.06133
      7       9.4873      0.00000
      8       9.9320      0.00000
      9      10.4407      0.00000
     10      11.3908      0.00000
     11      12.5703      0.00000
     12      13.0855      0.00000

 k-point   294 :       0.4615   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6779      2.00000
      2      -0.2520      2.00000
      3       4.1620      2.00000
      4       4.3875      2.00000
      5       5.1108      1.99998
      6       6.1926      1.33137
      7       9.9946      0.00000
      8      10.0686      0.00000
      9      10.7109      0.00000
     10      10.8090      0.00000
     11      12.0274      0.00000
     12      12.9871      0.00000

 k-point   295 :       0.0000   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3699      2.00000
      2       2.5886      2.00000
      3       3.8129      2.00000
      4       4.5877      2.00000
      5       6.1918      1.33501
      6       7.1975      0.00017
      7       8.6997      0.00000
      8      10.2913      0.00000
      9      10.4517      0.00000
     10      11.4601      0.00000
     11      11.7465      0.00000
     12      12.6506      0.00000

 k-point   296 :       0.0769   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3203      2.00000
      2       2.6266      2.00000
      3       3.7131      2.00000
      4       4.1244      2.00000
      5       6.7652      0.01291
      6       7.3448      0.00004
      7       8.7312      0.00000
      8       9.8141      0.00000
      9      10.3282      0.00000
     10      11.1285      0.00000
     11      11.8243      0.00000
     12      13.0227      0.00000

 k-point   297 :       0.1538   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1726      2.00000
      2       2.6139      2.00000
      3       3.0288      2.00000
      4       4.1005      2.00000
      5       7.1561      0.00026
      6       8.1298      0.00000
      7       8.6939      0.00000
      8       9.1131      0.00000
      9      10.0238      0.00000
     10      10.6858      0.00000
     11      12.0744      0.00000
     12      12.9947      0.00000

 k-point   298 :       0.2308   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9296      2.00000
      2       1.8227      2.00000
      3       3.0889      2.00000
      4       4.3112      2.00000
      5       7.1900      0.00019
      6       8.0715      0.00000
      7       8.4514      0.00000
      8       9.2646      0.00000
      9      10.0621      0.00000
     10      10.9096      0.00000
     11      11.8974      0.00000
     12      12.6620      0.00000

 k-point   299 :       0.3077   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.5992      2.00000
      2       0.9395      2.00000
      3       3.4023      2.00000
      4       4.6142      2.00000
      5       6.6710      0.03278
      6       7.8481      0.00000
      7       8.0946      0.00000
      8       9.2806      0.00000
      9      10.9383      0.00000
     10      11.2198      0.00000
     11      11.7307      0.00000
     12      12.6727      0.00000

 k-point   300 :       0.3846   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.2051      2.00000
      2       0.1651      2.00000
      3       3.7975      2.00000
      4       4.9761      1.99999
      5       5.9693      1.89784
      6       7.2029      0.00016
      7       8.3751      0.00000
      8       9.4356      0.00000
      9      10.5440      0.00000
     10      11.3951      0.00000
     11      12.3884      0.00000
     12      12.9776      0.00000

 k-point   301 :       0.4615   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8452      2.00000
      2      -0.3869      2.00000
      3       4.1805      2.00000
      4       5.2663      1.99990
      5       5.4557      1.99937
      6       6.7036      0.02375
      7       8.6950      0.00000
      8       9.5650      0.00000
      9      10.0296      0.00000
     10      11.7624      0.00000
     11      12.1272      0.00000
     12      13.2966      0.00000

 k-point   302 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1862      2.00000
      2       1.6261      2.00000
      3       4.7458      2.00000
      4       4.7730      2.00000
      5       6.0354      1.81127
      6       7.0504      0.00075
      7       9.1988      0.00000
      8       9.4337      0.00000
      9       9.8708      0.00000
     10      10.7004      0.00000
     11      12.3877      0.00000
     12      13.1202      0.00000

 k-point   303 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1365      2.00000
      2       1.6674      2.00000
      3       4.1174      2.00000
      4       4.7999      2.00000
      5       6.3980      0.40691
      6       7.4432      0.00001
      7       8.8051      0.00000
      8       9.2996      0.00000
      9       9.9458      0.00000
     10      11.1219      0.00000
     11      12.0486      0.00000
     12      12.5575      0.00000

 k-point   304 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9881      2.00000
      2       1.7773      2.00000
      3       3.1291      2.00000
      4       4.9460      2.00000
      5       6.5754      0.08303
      6       7.9196      0.00000
      7       8.6001      0.00000
      8       9.4276      0.00000
      9      10.0618      0.00000
     10      10.9184      0.00000
     11      11.5096      0.00000
     12      12.6494      0.00000

 k-point   305 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7441      2.00000
      2       1.7657      2.00000
      3       2.3790      2.00000
      4       5.1881      1.99996
      5       6.3663      0.51904
      6       7.4699      0.00001
      7       9.5820      0.00000
      8       9.7100      0.00000
      9       9.9688      0.00000
     10      10.4111      0.00000
     11      11.4266      0.00000
     12      12.5015      0.00000

 k-point   306 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.4117      2.00000
      2       1.0778      2.00000
      3       2.4738      2.00000
      4       5.5182      1.99882
      5       5.7250      1.99068
      6       7.5532      0.00000
      7       8.8812      0.00000
      8       9.9452      0.00000
      9      10.1205      0.00000
     10      11.1644      0.00000
     11      11.4927      0.00000
     12      12.7079      0.00000

 k-point   307 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.0138      2.00000
      2       0.3222      2.00000
      3       2.8186      2.00000
      4       5.0307      1.99999
      5       5.9393      1.92328
      6       7.8208      0.00000
      7       8.0858      0.00000
      8       9.7746      0.00000
      9      10.4131      0.00000
     10      11.1593      0.00000
     11      12.3197      0.00000
     12      12.7387      0.00000

 k-point   308 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.6467      2.00000
      2      -0.2318      2.00000
      3       3.1518      2.00000
      4       4.5218      2.00000
      5       6.3601      0.54342
      6       7.4607      0.00001
      7       8.0810      0.00000
      8       9.4705      0.00000
      9      10.7460      0.00000
     10      11.2805      0.00000
     11      12.1884      0.00000
     12      12.6774      0.00000

 k-point   309 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1501      2.00000
      2       1.7183      2.00000
      3       4.2263      2.00000
      4       4.8076      2.00000
      5       6.3298      0.67104
      6       7.3250      0.00005
      7       8.3517      0.00000
      8       9.5311      0.00000
      9       9.8732      0.00000
     10      11.2413      0.00000
     11      12.2253      0.00000
     12      12.8798      0.00000

 k-point   310 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1003      2.00000
      2       1.7598      2.00000
      3       4.0790      2.00000
      4       4.3708      2.00000
      5       6.8526      0.00541
      6       7.5332      0.00001
      7       8.3297      0.00000
      8       9.0476      0.00000
      9       9.9678      0.00000
     10      11.4806      0.00000
     11      11.7629      0.00000
     12      13.0619      0.00000

 k-point   311 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9520      2.00000
      2       1.8696      2.00000
      3       3.1529      2.00000
      4       4.4514      2.00000
      5       7.1207      0.00037
      6       7.9353      0.00000
      7       8.3485      0.00000
      8       8.9327      0.00000
      9      10.0045      0.00000
     10      10.5829      0.00000
     11      12.3735      0.00000
     12      13.0615      0.00000

 k-point   312 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.7079      2.00000
      2       1.8336      2.00000
      3       2.4341      2.00000
      4       4.6656      2.00000
      5       6.7183      0.02054
      6       7.7422      0.00000
      7       8.6891      0.00000
      8       9.4456      0.00000
      9       9.8320      0.00000
     10      10.5993      0.00000
     11      12.1133      0.00000
     12      13.0789      0.00000

 k-point   313 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3754      2.00000
      2       1.1173      2.00000
      3       2.5604      2.00000
      4       4.9298      2.00000
      5       6.0009      1.86253
      6       7.9664      0.00000
      7       8.3827      0.00000
      8       9.2052      0.00000
      9      10.2161      0.00000
     10      11.4658      0.00000
     11      11.8279      0.00000
     12      12.6938      0.00000

 k-point   314 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9773      2.00000
      2       0.3587      2.00000
      3       2.9107      2.00000
      4       4.9483      2.00000
      5       5.6461      1.99576
      6       7.6390      0.00000
      7       8.3428      0.00000
      8       9.4674      0.00000
      9      10.1751      0.00000
     10      11.1748      0.00000
     11      11.9749      0.00000
     12      13.1831      0.00000

 k-point   315 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.6098      2.00000
      2      -0.1962      2.00000
      3       3.2485      2.00000
      4       4.5541      2.00000
      5       5.8820      1.95603
      6       7.1012      0.00045
      7       8.6403      0.00000
      8       9.7120      0.00000
      9       9.9074      0.00000
     10      11.2029      0.00000
     11      11.4767      0.00000
     12      13.1997      0.00000

 k-point   316 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -3.0153      2.00000
      2       1.8859      2.00000
      3       3.2291      2.00000
      4       4.9399      2.00000
      5       6.5168      0.14446
      6       7.4207      0.00002
      7       8.4689      0.00000
      8       9.7202      0.00000
      9       9.9550      0.00000
     10      11.0741      0.00000
     11      11.4816      0.00000
     12      12.7357      0.00000

 k-point   317 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9656      2.00000
      2       1.9296      2.00000
      3       3.2525      2.00000
      4       4.3356      2.00000
      5       7.0485      0.00076
      6       7.6150      0.00000
      7       8.4508      0.00000
      8       9.2118      0.00000
      9       9.9376      0.00000
     10      10.6115      0.00000
     11      12.1174      0.00000
     12      13.2506      0.00000

 k-point   318 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.8170      2.00000
      2       2.0477      2.00000
      3       3.1045      2.00000
      4       3.6311      2.00000
      5       7.3315      0.00005
      6       7.9964      0.00000
      7       8.4616      0.00000
      8       9.0427      0.00000
      9       9.3626      0.00000
     10      10.4633      0.00000
     11      13.0731      0.00000
     12      13.5417      0.00000

 k-point   319 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5724      2.00000
      2       2.0004      2.00000
      3       2.5311      2.00000
      4       3.7125      2.00000
      5       6.9473      0.00210
      6       7.6636      0.00000
      7       8.4856      0.00000
      8       8.9488      0.00000
      9       9.9606      0.00000
     10      10.8052      0.00000
     11      12.6250      0.00000
     12      13.1739      0.00000

 k-point   320 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.2392      2.00000
      2       1.2485      2.00000
      3       2.7176      2.00000
      4       3.9780      2.00000
      5       6.1379      1.54960
      6       7.3639      0.00003
      7       8.2572      0.00000
      8       9.2245      0.00000
      9      10.4589      0.00000
     10      11.5723      0.00000
     11      12.1311      0.00000
     12      12.6126      0.00000

 k-point   321 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.8394      2.00000
      2       0.4856      2.00000
      3       3.0863      2.00000
      4       4.2872      2.00000
      5       5.4074      1.99961
      6       6.7604      0.01353
      7       8.5038      0.00000
      8       9.5610      0.00000
      9      10.7037      0.00000
     10      10.9648      0.00000
     11      11.9110      0.00000
     12      13.5223      0.00000

 k-point   322 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4685      2.00000
      2      -0.0729      2.00000
      3       3.4378      2.00000
      4       4.4837      2.00000
      5       4.9424      2.00000
      6       6.3228      0.70276
      7       8.7588      0.00000
      8       9.8956      0.00000
      9      10.4057      0.00000
     10      10.9103      0.00000
     11      11.4552      0.00000
     12      13.4625      0.00000

 k-point   323 :       0.0000   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6165      2.00000
      2      -0.2866      2.00000
      3       3.0218      2.00000
      4       4.6909      2.00000
      5       6.4286      0.31667
      6       7.4259      0.00002
      7       8.1052      0.00000
      8       9.4304      0.00000
      9      10.7986      0.00000
     10      11.2377      0.00000
     11      12.3790      0.00000
     12      12.5965      0.00000

 k-point   324 :       0.0769   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5639      2.00000
      2      -0.2420      2.00000
      3       3.0690      2.00000
      4       4.6847      2.00000
      5       5.7739      1.98485
      6       6.9519      0.00201
      7       8.8754      0.00000
      8       9.9235      0.00000
      9      10.2168      0.00000
     10      11.2971      0.00000
     11      11.9746      0.00000
     12      12.9945      0.00000

 k-point   325 :       0.1538   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4064      2.00000
      2      -0.1097      2.00000
      3       3.2079      2.00000
      4       4.4958      2.00000
      5       4.8773      2.00000
      6       6.2048      1.27610
      7       9.1389      0.00000
      8      10.1938      0.00000
      9      10.9102      0.00000
     10      11.2368      0.00000
     11      11.4606      0.00000
     12      13.4953      0.00000

 k-point   326 :       0.2308   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1450      2.00000
      2       0.1053      2.00000
      3       3.4164      2.00000
      4       3.6144      2.00000
      5       4.4907      2.00000
      6       5.7367      1.98954
      7       8.1672      0.00000
      8      10.2291      0.00000
      9      11.6181      0.00000
     10      11.7631      0.00000
     11      12.1213      0.00000
     12      14.0118      0.00000

 k-point   327 :       0.3077   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.7824      2.00000
      2       0.3898      2.00000
      3       2.6588      2.00000
      4       3.5956      2.00000
      5       4.0733      2.00000
      6       5.6872      1.99361
      7       7.2811      0.00007
      8       9.5162      0.00000
      9      12.0142      0.00000
     10      12.8652      0.00000
     11      13.2663      0.00000
     12      14.8903      0.00000

 k-point   328 :       0.3846   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3267      2.00000
      2       0.7093      2.00000
      3       1.8096      2.00000
      4       3.1918      2.00000
      5       4.2732      2.00000
      6       5.7793      1.98403
      7       6.5393      0.11709
      8       8.9546      0.00000
      9      12.4386      0.00000
     10      13.3178      0.00000
     11      14.3385      0.00000
     12      14.8480      0.00000

 k-point   329 :       0.4615   -0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1726      2.00000
      2       0.9531      2.00000
      3       1.1242      2.00000
      4       2.8011      2.00000
      5       4.6400      2.00000
      6       5.6881      1.99355
      7       6.1710      1.42407
      8       8.6304      0.00000
      9      12.9066      0.00000
     10      13.5485      0.00000
     11      13.7243      0.00000
     12      15.7869      0.00000

 k-point   330 :       0.0000   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9585      2.00000
      2       0.2071      2.00000
      3       2.6614      2.00000
      4       5.3017      1.99986
      5       6.0258      1.82693
      6       7.9344      0.00000
      7       7.9966      0.00000
      8       9.6879      0.00000
      9      10.4034      0.00000
     10      11.2605      0.00000
     11      11.9852      0.00000
     12      13.0197      0.00000

 k-point   331 :       0.0769   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9074      2.00000
      2       0.2534      2.00000
      3       2.7036      2.00000
      4       5.0924      1.99998
      5       5.6801      1.99405
      6       7.4195      0.00002
      7       8.6355      0.00000
      8       9.7564      0.00000
      9      10.3238      0.00000
     10      11.3388      0.00000
     11      12.5609      0.00000
     12      12.6441      0.00000

 k-point   332 :       0.1538   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7545      2.00000
      2       0.3908      2.00000
      3       2.8236      2.00000
      4       4.2613      2.00000
      5       5.5352      1.99860
      6       6.5876      0.07389
      7       8.8140      0.00000
      8       9.8935      0.00000
      9      11.1191      0.00000
     10      11.6139      0.00000
     11      11.8443      0.00000
     12      13.4479      0.00000

 k-point   333 :       0.2308   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5017      2.00000
      2       0.6137      2.00000
      3       2.9361      2.00000
      4       3.3943      2.00000
      5       5.1903      1.99996
      6       6.1384      1.54798
      7       7.9125      0.00000
      8      10.7429      0.00000
      9      11.3388      0.00000
     10      11.6171      0.00000
     11      12.5481      0.00000
     12      14.0077      0.00000

 k-point   334 :       0.3077   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.1541      2.00000
      2       0.9044      2.00000
      3       2.3209      2.00000
      4       3.3714      2.00000
      5       4.5141      2.00000
      6       6.1220      1.60270
      7       7.1702      0.00023
      8      10.0323      0.00000
      9      11.8975      0.00000
     10      12.7678      0.00000
     11      13.2561      0.00000
     12      14.5556      0.00000

 k-point   335 :       0.3846   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7266      2.00000
      2       1.1466      2.00000
      3       1.6414      2.00000
      4       3.4601      2.00000
      5       4.0659      2.00000
      6       5.9315      1.92889
      7       6.8557      0.00524
      8       9.4259      0.00000
      9      12.3204      0.00000
     10      13.3958      0.00000
     11      14.2440      0.00000
     12      14.4571      0.00000

 k-point   336 :       0.4615   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.2962      2.00000
      2       0.7984      2.00000
      3       1.6748      2.00000
      4       3.1536      2.00000
      5       4.1925      2.00000
      6       5.5662      1.99809
      7       6.9052      0.00320
      8       9.0590      0.00000
      9      12.7551      0.00000
     10      13.5268      0.00000
     11      13.8237      0.00000
     12      15.0397      0.00000

 k-point   337 :       0.0000   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       0.9244      2.00000
      3       2.3558      2.00000
      4       5.6016      1.99728
      5       5.9979      1.86633
      6       7.7338      0.00000
      7       8.7795      0.00000
      8       9.9966      0.00000
      9      10.0533      0.00000
     10      11.1662      0.00000
     11      11.4059      0.00000
     12      12.7227      0.00000

 k-point   338 :       0.0769   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3111      2.00000
      2       0.9724      2.00000
      3       2.3927      2.00000
      4       4.9131      2.00000
      5       6.2396      1.10901
      6       8.0666      0.00000
      7       8.3761      0.00000
      8       9.4657      0.00000
      9      10.4614      0.00000
     10      11.5013      0.00000
     11      11.8248      0.00000
     12      12.9147      0.00000

 k-point   339 :       0.1538   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1606      2.00000
      2       1.1145      2.00000
      3       2.4913      2.00000
      4       3.9414      2.00000
      5       6.3546      0.56525
      6       7.1903      0.00019
      7       8.5181      0.00000
      8       9.5503      0.00000
      9      10.8512      0.00000
     10      12.1356      0.00000
     11      12.3373      0.00000
     12      12.7036      0.00000

 k-point   340 :       0.2308   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9122      2.00000
      2       1.3404      2.00000
      3       2.5138      2.00000
      4       3.1524      2.00000
      5       6.0025      1.86042
      6       6.6707      0.03285
      7       7.7612      0.00000
      8      10.8550      0.00000
      9      11.1203      0.00000
     10      11.6507      0.00000
     11      12.7636      0.00000
     12      13.1097      0.00000

 k-point   341 :       0.3077   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.5720      2.00000
      2       1.5452      2.00000
      3       2.0161      2.00000
      4       3.1350      2.00000
      5       5.1863      1.99996
      6       6.3839      0.45459
      7       7.4418      0.00001
      8      10.7120      0.00000
      9      11.4984      0.00000
     10      12.3718      0.00000
     11      13.1771      0.00000
     12      13.5613      0.00000

 k-point   342 :       0.3846   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.1584      2.00000
      2       1.0429      2.00000
      3       2.1515      2.00000
      4       3.3992      2.00000
      5       4.4318      2.00000
      6       5.8624      1.96370
      7       7.5793      0.00000
      8      10.0915      0.00000
      9      11.9016      0.00000
     10      13.0655      0.00000
     11      13.6722      0.00000
     12      14.1204      0.00000

 k-point   343 :       0.4615   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.7578      2.00000
      2       0.4786      2.00000
      3       2.4950      2.00000
      4       3.6097      2.00000
      5       3.9058      2.00000
      6       5.4720      1.99926
      7       7.7715      0.00000
      8       9.6879      0.00000
      9      12.2963      0.00000
     10      13.1533      0.00000
     11      13.5180      0.00000
     12      14.3402      0.00000

 k-point   344 :       0.0000   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7049      2.00000
      2       1.5714      2.00000
      3       2.3229      2.00000
      4       5.2534      1.99992
      5       6.5260      0.13259
      6       7.8186      0.00000
      7       9.5397      0.00000
      8       9.8268      0.00000
      9       9.9299      0.00000
     10      10.4527      0.00000
     11      11.2255      0.00000
     12      12.4587      0.00000

 k-point   345 :       0.0769   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6548      2.00000
      2       1.6231      2.00000
      3       2.3510      2.00000
      4       4.6198      2.00000
      5       6.9508      0.00203
      6       8.1378      0.00000
      7       8.7824      0.00000
      8       9.3502      0.00000
      9      10.0652      0.00000
     10      10.8193      0.00000
     11      11.8269      0.00000
     12      12.8010      0.00000

 k-point   346 :       0.1538   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5054      2.00000
      2       1.7778      2.00000
      3       2.4057      2.00000
      4       3.6739      2.00000
      5       7.2392      0.00011
      6       7.7402      0.00000
      7       8.4573      0.00000
      8       9.2585      0.00000
      9      10.2588      0.00000
     10      11.1342      0.00000
     11      12.7605      0.00000
     12      13.4412      0.00000

 k-point   347 :       0.2308   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2592      2.00000
      2       2.0344      2.00000
      3       2.2197      2.00000
      4       3.0635      2.00000
      5       6.7252      0.01918
      6       7.1116      0.00041
      7       8.0572      0.00000
      8      10.4792      0.00000
      9      10.5174      0.00000
     10      11.4052      0.00000
     11      12.7269      0.00000
     12      13.2553      0.00000

 k-point   348 :       0.3077   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9228      2.00000
      2       1.5060      2.00000
      3       2.3904      2.00000
      4       3.1221      2.00000
      5       5.7870      1.98276
      6       6.5408      0.11539
      7       8.1791      0.00000
      8      10.8590      0.00000
      9      11.1987      0.00000
     10      11.6813      0.00000
     11      12.6898      0.00000
     12      13.4892      0.00000

 k-point   349 :       0.3846   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5165      2.00000
      2       0.7538      2.00000
      3       2.8373      2.00000
      4       3.3603      2.00000
      5       4.9477      2.00000
      6       5.9628      1.90398
      7       8.4713      0.00000
      8      10.8473      0.00000
      9      11.2895      0.00000
     10      11.8316      0.00000
     11      13.1122      0.00000
     12      14.0429      0.00000

 k-point   350 :       0.4615   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1319      2.00000
      2       0.1868      2.00000
      3       3.3233      2.00000
      4       3.5608      2.00000
      5       4.2644      2.00000
      6       5.5900      1.99758
      7       8.7309      0.00000
      8      10.4473      0.00000
      9      11.7749      0.00000
     10      11.9801      0.00000
     11      12.5114      0.00000
     12      14.1019      0.00000

 k-point   351 :       0.0000   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9616      2.00000
      2       1.6638      2.00000
      3       3.0220      2.00000
      4       4.9968      1.99999
      5       6.6168      0.05567
      6       8.4195      0.00000
      7       8.7131      0.00000
      8       9.5133      0.00000
      9      10.1298      0.00000
     10      10.7922      0.00000
     11      11.1537      0.00000
     12      12.4191      0.00000

 k-point   352 :       0.0769   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9117      2.00000
      2       1.7096      2.00000
      3       3.0436      2.00000
      4       4.3949      2.00000
      5       7.2700      0.00008
      6       8.4788      0.00000
      7       8.5191      0.00000
      8       9.2239      0.00000
      9       9.8512      0.00000
     10      10.6500      0.00000
     11      11.6707      0.00000
     12      12.7894      0.00000

 k-point   353 :       0.1538   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7629      2.00000
      2       1.8396      2.00000
      3       2.9717      2.00000
      4       3.6045      2.00000
      5       7.6676      0.00000
      6       8.1689      0.00000
      7       8.8352      0.00000
      8       9.0239      0.00000
      9       9.4133      0.00000
     10      10.7513      0.00000
     11      12.2734      0.00000
     12      13.4529      0.00000

 k-point   354 :       0.2308   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5178      2.00000
      2       1.9292      2.00000
      3       2.3931      2.00000
      4       3.5561      2.00000
      5       6.7682      0.01253
      6       7.9743      0.00000
      7       8.7874      0.00000
      8       9.2646      0.00000
      9      10.2193      0.00000
     10      11.0812      0.00000
     11      12.5878      0.00000
     12      13.5003      0.00000

 k-point   355 :       0.3077   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.1836      2.00000
      2       1.2805      2.00000
      3       2.5003      2.00000
      4       3.8016      2.00000
      5       5.8993      1.94793
      6       7.2270      0.00013
      7       9.0822      0.00000
      8       9.5994      0.00000
      9      10.8488      0.00000
     10      12.0437      0.00000
     11      12.6029      0.00000
     12      12.7231      0.00000

 k-point   356 :       0.3846   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.7819      2.00000
      2       0.5238      2.00000
      3       2.8767      2.00000
      4       4.1107      2.00000
      5       5.1365      1.99997
      6       6.5572      0.09885
      7       9.4451      0.00000
      8       9.9786      0.00000
      9      11.1450      0.00000
     10      11.8103      0.00000
     11      12.1701      0.00000
     12      13.3331      0.00000

 k-point   357 :       0.4615   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4068      2.00000
      2      -0.0369      2.00000
      3       3.2457      2.00000
      4       4.3400      2.00000
      5       4.6102      2.00000
      6       6.1122      1.63319
      7       9.7445      0.00000
      8      10.3676      0.00000
      9      11.2039      0.00000
     10      11.3568      0.00000
     11      11.7463      0.00000
     12      13.5297      0.00000

 k-point   358 :       0.0000   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1230      2.00000
      2       1.6154      2.00000
      3       3.9932      2.00000
      4       4.8362      2.00000
      5       6.4465      0.27177
      6       7.5390      0.00001
      7       9.2538      0.00000
      8       9.4301      0.00000
      9       9.9622      0.00000
     10      10.6551      0.00000
     11      11.9085      0.00000
     12      12.2654      0.00000

 k-point   359 :       0.0769   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0733      2.00000
      2       1.6579      2.00000
      3       3.9312      2.00000
      4       4.3244      2.00000
      5       7.0304      0.00092
      6       7.6532      0.00000
      7       8.8426      0.00000
      8       9.3421      0.00000
      9       9.9908      0.00000
     10      11.0493      0.00000
     11      11.2956      0.00000
     12      12.6229      0.00000

 k-point   360 :       0.1538   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9248      2.00000
      2       1.7736      2.00000
      3       3.1472      2.00000
      4       4.2638      2.00000
      5       7.2323      0.00012
      6       8.0793      0.00000
      7       8.6070      0.00000
      8       9.5003      0.00000
      9       9.8019      0.00000
     10      10.6200      0.00000
     11      11.5542      0.00000
     12      13.2184      0.00000

 k-point   361 :       0.2308   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.6804      2.00000
      2       1.7983      2.00000
      3       2.3815      2.00000
      4       4.4722      2.00000
      5       6.6126      0.05801
      6       8.0681      0.00000
      7       8.9603      0.00000
      8       9.5818      0.00000
      9      10.0418      0.00000
     10      10.7418      0.00000
     11      11.7234      0.00000
     12      12.7644      0.00000

 k-point   362 :       0.3077   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3475      2.00000
      2       1.1329      2.00000
      3       2.4620      2.00000
      4       4.7608      2.00000
      5       5.8320      1.97309
      6       8.0835      0.00000
      7       8.4068      0.00000
      8       9.9722      0.00000
      9      10.5192      0.00000
     10      11.5103      0.00000
     11      11.7070      0.00000
     12      12.6772      0.00000

 k-point   363 :       0.3846   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9484      2.00000
      2       0.3778      2.00000
      3       2.8118      2.00000
      4       4.9047      2.00000
      5       5.3322      1.99982
      6       7.4037      0.00002
      7       8.6971      0.00000
      8      10.3421      0.00000
      9      10.5285      0.00000
     10      11.3308      0.00000
     11      12.3763      0.00000
     12      12.7094      0.00000

 k-point   364 :       0.4615   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.5788      2.00000
      2      -0.1782      2.00000
      3       3.1519      2.00000
      4       4.4899      2.00000
      5       5.5650      1.99811
      6       6.8799      0.00411
      7       9.0079      0.00000
      8      10.1863      0.00000
      9      10.7319      0.00000
     10      11.4098      0.00000
     11      12.1509      0.00000
     12      12.6879      0.00000

 k-point   365 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8573      2.00000
      2       0.7207      2.00000
      3       5.0689      1.99999
      4       5.1099      1.99998
      5       6.4071      0.37828
      6       7.2208      0.00014
      7       8.3246      0.00000
      8       8.4970      0.00000
      9       9.8025      0.00000
     10      11.2646      0.00000
     11      12.0441      0.00000
     12      13.3808      0.00000

 k-point   366 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8072      2.00000
      2       0.7643      2.00000
      3       4.4466      2.00000
      4       5.1247      1.99998
      5       6.6917      0.02672
      6       7.5928      0.00000
      7       7.9818      0.00000
      8       8.4669      0.00000
      9      10.2444      0.00000
     10      11.3584      0.00000
     11      12.1031      0.00000
     12      12.4198      0.00000

 k-point   367 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6575      2.00000
      2       0.8914      2.00000
      3       3.4327      2.00000
      4       5.2705      1.99990
      5       6.4685      0.22411
      6       7.4548      0.00001
      7       8.5502      0.00000
      8       8.8660      0.00000
      9      10.7722      0.00000
     10      11.1411      0.00000
     11      11.6098      0.00000
     12      12.5515      0.00000

 k-point   368 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.4110      2.00000
      2       1.0803      2.00000
      3       2.4709      2.00000
      4       5.5121      1.99889
      5       5.7198      1.99116
      6       7.5402      0.00001
      7       8.8015      0.00000
      8      10.0367      0.00000
      9      10.1826      0.00000
     10      11.1989      0.00000
     11      11.4874      0.00000
     12      12.6200      0.00000

 k-point   369 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.0743      2.00000
      2       1.1397      2.00000
      3       1.8020      2.00000
      4       4.9187      2.00000
      5       5.8464      1.96900
      6       7.8054      0.00000
      7       9.0560      0.00000
      8       9.2843      0.00000
      9      10.5828      0.00000
     10      11.3610      0.00000
     11      11.9942      0.00000
     12      12.5639      0.00000

 k-point   370 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.6681      2.00000
      2       0.5830      2.00000
      3       1.9196      2.00000
      4       4.2127      2.00000
      5       6.2591      1.01184
      6       8.1333      0.00000
      7       8.4091      0.00000
      8       9.4906      0.00000
      9      10.1993      0.00000
     10      11.5842      0.00000
     11      11.9537      0.00000
     12      12.5419      0.00000

 k-point   371 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.2846      2.00000
      2       0.0363      2.00000
      3       2.1968      2.00000
      4       3.7248      2.00000
      5       6.6779      0.03062
      6       7.7820      0.00000
      7       8.4456      0.00000
      8       9.7086      0.00000
      9       9.9035      0.00000
     10      11.3620      0.00000
     11      11.8521      0.00000
     12      12.8288      0.00000

 k-point   372 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.8246      2.00000
      2       0.8075      2.00000
      3       4.5933      2.00000
      4       5.1401      1.99997
      5       6.6242      0.05180
      6       7.2497      0.00010
      7       7.8045      0.00000
      8       8.5892      0.00000
      9      10.3830      0.00000
     10      11.3693      0.00000
     11      12.3812      0.00000
     12      12.5891      0.00000

 k-point   373 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7745      2.00000
      2       0.8513      2.00000
      3       4.4363      2.00000
      4       4.6958      2.00000
      5       7.1279      0.00035
      6       7.3122      0.00005
      7       7.7276      0.00000
      8       8.4347      0.00000
      9      10.8702      0.00000
     10      11.3952      0.00000
     11      11.7954      0.00000
     12      12.5682      0.00000

 k-point   374 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6249      2.00000
      2       0.9788      2.00000
      3       3.4583      2.00000
      4       4.7922      2.00000
      5       6.7615      0.01339
      6       7.4527      0.00001
      7       7.9662      0.00000
      8       9.0814      0.00000
      9      10.7325      0.00000
     10      11.5249      0.00000
     11      11.6228      0.00000
     12      12.8475      0.00000

 k-point   375 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3784      2.00000
      2       1.1671      2.00000
      3       2.5016      2.00000
      4       4.9679      2.00000
      5       5.9733      1.89392
      6       7.6980      0.00000
      7       8.1807      0.00000
      8       9.7642      0.00000
      9      10.3613      0.00000
     10      11.6231      0.00000
     11      11.9301      0.00000
     12      12.5108      0.00000

 k-point   376 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0418      2.00000
      2       1.2033      2.00000
      3       1.8587      2.00000
      4       4.8504      2.00000
      5       5.5928      1.99751
      6       8.0289      0.00000
      7       8.3506      0.00000
      8       8.9493      0.00000
      9      11.1363      0.00000
     10      11.7517      0.00000
     11      11.8668      0.00000
     12      12.2174      0.00000

 k-point   377 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.6358      2.00000
      2       0.6207      2.00000
      3       2.0058      2.00000
      4       4.2482      2.00000
      5       5.8774      1.95797
      6       7.9345      0.00000
      7       8.4913      0.00000
      8       8.7913      0.00000
      9      10.5576      0.00000
     10      11.2489      0.00000
     11      12.5651      0.00000
     12      12.6283      0.00000

 k-point   378 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2527      2.00000
      2       0.0715      2.00000
      3       2.2910      2.00000
      4       3.7730      2.00000
      5       6.2477      1.06913
      6       7.3970      0.00002
      7       8.9069      0.00000
      8       8.9403      0.00000
      9       9.9785      0.00000
     10      10.9479      0.00000
     11      12.7853      0.00000
     12      12.9672      0.00000

 k-point   379 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6925      2.00000
      2       0.9794      2.00000
      3       3.5799      2.00000
      4       5.2678      1.99990
      5       6.2306      1.15346
      6       7.1951      0.00018
      7       8.6751      0.00000
      8       8.7767      0.00000
      9      10.7630      0.00000
     10      11.4344      0.00000
     11      11.4825      0.00000
     12      12.8466      0.00000

 k-point   380 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6424      2.00000
      2       1.0240      2.00000
      3       3.6112      2.00000
      4       4.6324      2.00000
      5       6.3994      0.40231
      6       7.7588      0.00000
      7       8.0939      0.00000
      8       8.9721      0.00000
      9      10.7186      0.00000
     10      11.2756      0.00000
     11      11.6675      0.00000
     12      13.2470      0.00000

 k-point   381 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4927      2.00000
      2       1.1543      2.00000
      3       3.4687      2.00000
      4       3.8995      2.00000
      5       6.4686      0.22383
      6       7.2864      0.00007
      7       8.7260      0.00000
      8       9.3565      0.00000
      9       9.7849      0.00000
     10      11.6800      0.00000
     11      12.3382      0.00000
     12      12.7313      0.00000

 k-point   382 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.2460      2.00000
      2       1.3477      2.00000
      3       2.6002      2.00000
      4       4.0169      2.00000
      5       6.0521      1.78054
      6       7.0025      0.00121
      7       8.7694      0.00000
      8       9.1933      0.00000
      9      10.5682      0.00000
     10      11.6009      0.00000
     11      12.1467      0.00000
     12      13.0575      0.00000

 k-point   383 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.9089      2.00000
      2       1.3679      2.00000
      3       1.9893      2.00000
      4       4.2408      2.00000
      5       5.3513      1.99978
      6       7.1188      0.00038
      7       8.0148      0.00000
      8       9.4686      0.00000
      9      10.9275      0.00000
     10      11.7575      0.00000
     11      12.3957      0.00000
     12      12.9551      0.00000

 k-point   384 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.5020      2.00000
      2       0.7535      2.00000
      3       2.1795      2.00000
      4       4.2088      2.00000
      5       5.0336      1.99999
      6       6.9282      0.00254
      7       7.7501      0.00000
      8       9.7309      0.00000
      9      10.3630      0.00000
     10      11.7704      0.00000
     11      12.7742      0.00000
     12      13.6633      0.00000

 k-point   385 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.1166      2.00000
      2       0.1982      2.00000
      3       2.4834      2.00000
      4       3.8433      2.00000
      5       5.2273      1.99994
      6       6.4926      0.18045
      7       7.8934      0.00000
      8       9.7033      0.00000
      9      10.2551      0.00000
     10      11.4805      0.00000
     11      12.8936      0.00000
     12      14.2539      0.00000

 k-point   386 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4634      2.00000
      2       1.2218      2.00000
      3       2.5867      2.00000
      4       5.4064      1.99961
      5       5.4920      1.99909
      6       7.3931      0.00002
      7       9.0549      0.00000
      8       9.9554      0.00000
      9      10.3795      0.00000
     10      11.0653      0.00000
     11      11.4421      0.00000
     12      12.5241      0.00000

 k-point   387 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4131      2.00000
      2       1.2686      2.00000
      3       2.6259      2.00000
      4       4.7949      2.00000
      5       5.5710      1.99800
      6       8.0277      0.00000
      7       8.4585      0.00000
      8       9.7535      0.00000
      9      10.1800      0.00000
     10      11.5440      0.00000
     11      11.7505      0.00000
     12      12.6581      0.00000

 k-point   388 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.2631      2.00000
      2       1.4060      2.00000
      3       2.7290      2.00000
      4       3.8425      2.00000
      5       5.6587      1.99519
      6       7.4697      0.00001
      7       8.7907      0.00000
      8       9.3013      0.00000
      9      10.3998      0.00000
     10      11.5848      0.00000
     11      12.1432      0.00000
     12      12.8402      0.00000

 k-point   389 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.0158      2.00000
      2       1.6150      2.00000
      3       2.6465      2.00000
      4       3.1817      2.00000
      5       5.7266      1.99054
      6       6.5927      0.07033
      7       7.9112      0.00000
      8      10.4217      0.00000
      9      10.6302      0.00000
     10      11.1533      0.00000
     11      12.3199      0.00000
     12      13.8774      0.00000

 k-point   390 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.6777      2.00000
      2       1.6304      2.00000
      3       2.1722      2.00000
      4       3.3366      2.00000
      5       5.4005      1.99964
      6       6.1618      1.46100
      7       7.1931      0.00018
      8      10.0148      0.00000
      9      10.9623      0.00000
     10      12.0426      0.00000
     11      12.8489      0.00000
     12      13.9830      0.00000

 k-point   391 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.2682      2.00000
      2       0.9766      2.00000
      3       2.4333      2.00000
      4       3.6306      2.00000
      5       4.7419      2.00000
      6       5.9354      1.92617
      7       6.8866      0.00385
      8       9.4434      0.00000
      9      11.3309      0.00000
     10      12.4962      0.00000
     11      13.4524      0.00000
     12      14.2171      0.00000

 k-point   392 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.8773      2.00000
      2       0.4119      2.00000
      3       2.7684      2.00000
      4       3.8249      2.00000
      5       4.2875      2.00000
      6       5.6122      1.99698
      7       6.9229      0.00268
      8       9.0897      0.00000
      9      11.6672      0.00000
     10      12.5902      0.00000
     11      13.1179      0.00000
     12      14.7944      0.00000

 k-point   393 :       0.0000   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2440      2.00000
      2      -0.0421      2.00000
      3       2.1079      2.00000
      4       3.8626      2.00000
      5       6.7741      0.01181
      6       7.7383      0.00000
      7       8.4601      0.00000
      8       9.7001      0.00000
      9       9.8951      0.00000
     10      11.6250      0.00000
     11      11.6284      0.00000
     12      12.7932      0.00000

 k-point   394 :       0.0769   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1914      2.00000
      2       0.0044      2.00000
      3       2.1562      2.00000
      4       3.8798      2.00000
      5       6.1087      1.64337
      6       7.2139      0.00015
      7       9.2029      0.00000
      8       9.2751      0.00000
      9      10.2880      0.00000
     10      11.2158      0.00000
     11      12.3428      0.00000
     12      12.8518      0.00000

 k-point   395 :       0.1538   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0342      2.00000
      2       0.1428      2.00000
      3       2.2999      2.00000
      4       3.9146      2.00000
      5       5.0643      1.99999
      6       6.3279      0.67952
      7       8.2664      0.00000
      8      10.2023      0.00000
      9      10.5972      0.00000
     10      11.6261      0.00000
     11      12.9722      0.00000
     12      13.5950      0.00000

 k-point   396 :       0.2308   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.7732      2.00000
      2       0.3684      2.00000
      3       2.5340      2.00000
      4       3.8054      2.00000
      5       4.1642      2.00000
      6       5.5119      1.99889
      7       7.2932      0.00007
      8       9.4985      0.00000
      9      12.0440      0.00000
     10      12.8484      0.00000
     11      13.2264      0.00000
     12      14.8738      0.00000

 k-point   397 :       0.3077   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4110      2.00000
      2       0.6701      2.00000
      3       2.8319      2.00000
      4       3.0193      2.00000
      5       3.8550      2.00000
      6       4.9908      1.99999
      7       6.4062      0.38096
      8       8.8410      0.00000
      9      13.5348      0.00000
     10      13.5992      0.00000
     11      14.0156      0.00000
     12      15.4898      0.00000

 k-point   398 :       0.3846   -0.4615    0.3077
  band No.  band energies     occupation 
      1       0.0448      2.00000
      2       1.0167      2.00000
      3       2.1630      2.00000
      4       3.1023      2.00000
      5       3.5385      2.00000
      6       4.8488      2.00000
      7       5.6580      1.99522
      8       8.3405      0.00000
      9      13.9536      0.00000
     10      14.7291      0.00000
     11      15.1745      0.00000
     12      15.7520      0.00000

 k-point   399 :       0.4615   -0.4615    0.3077
  band No.  band energies     occupation 
      1       0.5473      2.00000
      2       1.3015      2.00000
      3       1.4711      2.00000
      4       2.8826      2.00000
      5       3.7266      2.00000
      6       4.7532      2.00000
      7       5.2164      1.99994
      8       8.0633      0.00000
      9      14.4123      0.00000
     10      15.0389      0.00000
     11      15.2020      0.00000
     12      16.5178      0.00000

 k-point   400 :       0.0000   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5947      2.00000
      2       0.4137      2.00000
      3       1.8167      2.00000
      4       4.4561      2.00000
      5       6.3803      0.46718
      6       8.2436      0.00000
      7       8.2832      0.00000
      8       9.5051      0.00000
      9       9.9566      0.00000
     10      11.4531      0.00000
     11      12.3156      0.00000
     12      12.7287      0.00000

 k-point   401 :       0.0769   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5434      2.00000
      2       0.4626      2.00000
      3       1.8595      2.00000
      4       4.4529      2.00000
      5       5.8078      1.97882
      6       7.6691      0.00000
      7       8.8516      0.00000
      8       9.0356      0.00000
      9      10.6757      0.00000
     10      11.7097      0.00000
     11      12.1457      0.00000
     12      12.8001      0.00000

 k-point   402 :       0.1538   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.3901      2.00000
      2       0.6083      2.00000
      3       1.9856      2.00000
      4       4.2978      2.00000
      5       5.0280      1.99999
      6       6.6978      0.02515
      7       8.0214      0.00000
      8      10.1781      0.00000
      9      10.9342      0.00000
     10      11.9000      0.00000
     11      12.9708      0.00000
     12      13.2166      0.00000

 k-point   403 :       0.2308   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.1366      2.00000
      2       0.8469      2.00000
      3       2.1828      2.00000
      4       3.5839      2.00000
      5       4.8154      2.00000
      6       5.7836      1.98333
      7       7.1521      0.00027
      8       9.9963      0.00000
      9      11.7461      0.00000
     10      12.9468      0.00000
     11      13.4030      0.00000
     12      14.3407      0.00000

 k-point   404 :       0.3077   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.7873      2.00000
      2       1.1660      2.00000
      3       2.3501      2.00000
      4       2.8255      2.00000
      5       4.5381      2.00000
      6       5.2186      1.99994
      7       6.4320      0.30767
      8       9.2948      0.00000
      9      13.2206      0.00000
     10      13.4610      0.00000
     11      14.2320      0.00000
     12      14.9810      0.00000

 k-point   405 :       0.3846   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.3561      2.00000
      2       1.4831      2.00000
      3       1.8894      2.00000
      4       2.8667      2.00000
      5       3.8973      2.00000
      6       5.0062      1.99999
      7       6.0227      1.83179
      8       8.7408      0.00000
      9      13.8415      0.00000
     10      14.6282      0.00000
     11      14.8571      0.00000
     12      15.4908      0.00000

 k-point   406 :       0.4615   -0.3846    0.3077
  band No.  band energies     occupation 
      1       0.0849      2.00000
      2       1.1411      2.00000
      3       1.9756      2.00000
      4       3.0906      2.00000
      5       3.3830      2.00000
      6       4.7583      2.00000
      7       5.9439      1.91988
      8       8.4231      0.00000
      9      14.2918      0.00000
     10      14.9311      0.00000
     11      15.2129      0.00000
     12      15.4577      0.00000

 k-point   407 :       0.0000   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0089      2.00000
      2       0.9145      2.00000
      3       1.7437      2.00000
      4       5.2038      1.99995
      5       5.9542      1.91149
      6       7.9440      0.00000
      7       8.9207      0.00000
      8       9.2868      0.00000
      9      10.2594      0.00000
     10      11.2789      0.00000
     11      12.2103      0.00000
     12      13.0854      0.00000

 k-point   408 :       0.0769   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9582      2.00000
      2       0.9665      2.00000
      3       1.7807      2.00000
      4       4.9981      1.99999
      5       5.6369      1.99613
      6       8.2014      0.00000
      7       8.4986      0.00000
      8       8.9151      0.00000
      9      11.0107      0.00000
     10      11.7884      0.00000
     11      12.2954      0.00000
     12      12.4810      0.00000

 k-point   409 :       0.1538   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8068      2.00000
      2       1.1220      2.00000
      3       1.8860      2.00000
      4       4.1938      2.00000
      5       5.5587      1.99823
      6       7.1348      0.00032
      7       7.9710      0.00000
      8       9.8606      0.00000
      9      11.6239      0.00000
     10      11.9753      0.00000
     11      12.6567      0.00000
     12      12.7217      0.00000

 k-point   410 :       0.2308   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.5568      2.00000
      2       1.3801      2.00000
      3       2.0280      2.00000
      4       3.2887      2.00000
      5       5.6097      1.99705
      6       6.1050      1.65400
      7       7.2332      0.00012
      8      10.6512      0.00000
      9      11.3850      0.00000
     10      12.4323      0.00000
     11      13.2741      0.00000
     12      13.6473      0.00000

 k-point   411 :       0.3077   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2136      2.00000
      2       1.7380      2.00000
      3       1.9697      2.00000
      4       2.6934      2.00000
      5       5.1575      1.99997
      6       5.5389      1.99855
      7       6.7693      0.01239
      8       9.9508      0.00000
      9      12.7617      0.00000
     10      12.8058      0.00000
     11      13.7657      0.00000
     12      14.2741      0.00000

 k-point   412 :       0.3846   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.7939      2.00000
      2       1.3666      2.00000
      3       2.1873      2.00000
      4       2.7660      2.00000
      5       4.3117      2.00000
      6       5.2254      1.99994
      7       6.7129      0.02168
      8       9.3474      0.00000
      9      13.2307      0.00000
     10      13.6890      0.00000
     11      14.6057      0.00000
     12      14.7961      0.00000

 k-point   413 :       0.4615   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.3793      2.00000
      2       0.7916      2.00000
      3       2.6758      2.00000
      4       2.9369      2.00000
      5       3.6242      2.00000
      6       4.9348      2.00000
      7       6.8088      0.00836
      8       8.9834      0.00000
      9      13.6921      0.00000
     10      14.0165      0.00000
     11      14.3816      0.00000
     12      15.2587      0.00000

 k-point   414 :       0.0000   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3604      2.00000
      2       0.9308      2.00000
      3       2.3477      2.00000
      4       5.6026      1.99725
      5       5.9961      1.86851
      6       7.7344      0.00000
      7       8.7870      0.00000
      8       9.9880      0.00000
      9      10.0444      0.00000
     10      11.1495      0.00000
     11      11.4198      0.00000
     12      12.7293      0.00000

 k-point   415 :       0.0769   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3100      2.00000
      2       0.9789      2.00000
      3       2.3847      2.00000
      4       4.9139      2.00000
      5       6.2379      1.11748
      6       8.0724      0.00000
      7       8.3763      0.00000
      8       9.4585      0.00000
      9      10.4459      0.00000
     10      11.4971      0.00000
     11      11.8404      0.00000
     12      12.9138      0.00000

 k-point   416 :       0.1538   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1595      2.00000
      2       1.1212      2.00000
      3       2.4832      2.00000
      4       3.9423      2.00000
      5       6.3538      0.56876
      6       7.1942      0.00018
      7       8.5114      0.00000
      8       9.5502      0.00000
      9      10.8299      0.00000
     10      12.1559      0.00000
     11      12.3374      0.00000
     12      12.7039      0.00000

 k-point   417 :       0.2308   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.9111      2.00000
      2       1.3476      2.00000
      3       2.5076      2.00000
      4       3.1510      2.00000
      5       6.0075      1.85375
      6       6.6669      0.03412
      7       7.7559      0.00000
      8      10.8476      0.00000
      9      11.1043      0.00000
     10      11.6559      0.00000
     11      12.7836      0.00000
     12      13.1014      0.00000

 k-point   418 :       0.3077   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.5709      2.00000
      2       1.5519      2.00000
      3       2.0160      2.00000
      4       3.1283      2.00000
      5       5.1910      1.99996
      6       6.3776      0.47701
      7       7.4389      0.00002
      8      10.7079      0.00000
      9      11.4754      0.00000
     10      12.3850      0.00000
     11      13.1906      0.00000
     12      13.5494      0.00000

 k-point   419 :       0.3846   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.1573      2.00000
      2       1.0446      2.00000
      3       2.1581      2.00000
      4       3.3919      2.00000
      5       4.4346      2.00000
      6       5.8565      1.96576
      7       7.5770      0.00000
      8      10.0889      0.00000
      9      11.8759      0.00000
     10      13.0880      0.00000
     11      13.6606      0.00000
     12      14.1063      0.00000

 k-point   420 :       0.4615   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.7569      2.00000
      2       0.4799      2.00000
      3       2.5035      2.00000
      4       3.6075      2.00000
      5       3.9010      2.00000
      6       5.4670      1.99929
      7       7.7692      0.00000
      8       9.6855      0.00000
      9      12.2674      0.00000
     10      13.1411      0.00000
     11      13.5464      0.00000
     12      14.3225      0.00000

 k-point   421 :       0.0000   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6234      2.00000
      2       0.8005      2.00000
      3       3.2715      2.00000
      4       5.3422      1.99980
      5       6.6137      0.05737
      6       7.8164      0.00000
      7       8.6007      0.00000
      8       8.9452      0.00000
      9      10.4830      0.00000
     10      11.0542      0.00000
     11      11.5265      0.00000
     12      12.1733      0.00000

 k-point   422 :       0.0769   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.5731      2.00000
      2       0.8459      2.00000
      3       3.3022      2.00000
      4       4.7066      2.00000
      5       7.0206      0.00101
      6       7.8591      0.00000
      7       8.2393      0.00000
      8       9.2512      0.00000
      9      10.3474      0.00000
     10      10.9134      0.00000
     11      11.7814      0.00000
     12      12.4903      0.00000

 k-point   423 :       0.1538   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4230      2.00000
      2       0.9791      2.00000
      3       3.2951      2.00000
      4       3.8362      2.00000
      5       6.8187      0.00758
      6       7.5035      0.00001
      7       9.1165      0.00000
      8       9.3369      0.00000
      9       9.6677      0.00000
     10      11.5952      0.00000
     11      12.0223      0.00000
     12      12.9692      0.00000

 k-point   424 :       0.2308   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.1756      2.00000
      2       1.1843      2.00000
      3       2.6130      2.00000
      4       3.7603      2.00000
      5       5.9446      1.91929
      6       7.6416      0.00000
      7       8.5351      0.00000
      8       9.6410      0.00000
      9      10.6969      0.00000
     10      12.0204      0.00000
     11      12.1429      0.00000
     12      12.8551      0.00000

 k-point   425 :       0.3077   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.8372      2.00000
      2       1.3167      2.00000
      3       1.9095      2.00000
      4       3.9929      2.00000
      5       5.1327      1.99997
      6       7.3649      0.00003
      7       8.2738      0.00000
      8       9.9791      0.00000
      9      11.6343      0.00000
     10      11.9376      0.00000
     11      12.4113      0.00000
     12      12.8438      0.00000

 k-point   426 :       0.3846   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.4274      2.00000
      2       0.7973      2.00000
      3       2.0084      2.00000
      4       4.0737      2.00000
      5       4.6586      2.00000
      6       6.7322      0.01790
      7       8.5294      0.00000
      8      10.3319      0.00000
      9      11.0192      0.00000
     10      12.1788      0.00000
     11      12.8029      0.00000
     12      13.0452      0.00000

 k-point   427 :       0.4615   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.0357      2.00000
      2       0.2433      2.00000
      3       2.3061      2.00000
      4       3.7173      2.00000
      5       4.8046      2.00000
      6       6.2597      1.00906
      7       8.7922      0.00000
      8      10.4298      0.00000
      9      10.8205      0.00000
     10      11.8448      0.00000
     11      13.0572      0.00000
     12      13.2005      0.00000

 k-point   428 :       0.0000   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       0.7205      2.00000
      3       4.2774      2.00000
      4       5.1774      1.99996
      5       6.7330      0.01776
      6       7.7828      0.00000
      7       8.3575      0.00000
      8       8.5013      0.00000
      9       9.8246      0.00000
     10      11.3667      0.00000
     11      11.9608      0.00000
     12      12.1741      0.00000

 k-point   429 :       0.0769   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7398      2.00000
      2       0.7645      2.00000
      3       4.2452      2.00000
      4       4.6182      2.00000
      5       7.3029      0.00006
      6       7.6336      0.00000
      7       8.1599      0.00000
      8       8.5583      0.00000
      9      10.2580      0.00000
     10      11.2214      0.00000
     11      11.6155      0.00000
     12      12.3682      0.00000

 k-point   430 :       0.1538   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.5900      2.00000
      2       0.8934      2.00000
      3       3.4652      2.00000
      4       4.5246      2.00000
      5       6.7161      0.02099
      6       8.1084      0.00000
      7       8.3076      0.00000
      8       9.1398      0.00000
      9      10.3048      0.00000
     10      10.8303      0.00000
     11      11.8463      0.00000
     12      12.8408      0.00000

 k-point   431 :       0.2308   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3431      2.00000
      2       1.0877      2.00000
      3       2.5154      2.00000
      4       4.7175      2.00000
      5       5.8498      1.96794
      6       8.3580      0.00000
      7       8.6023      0.00000
      8       9.4175      0.00000
      9      10.2798      0.00000
     10      11.2777      0.00000
     11      11.9824      0.00000
     12      13.0111      0.00000

 k-point   432 :       0.3077   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0058      2.00000
      2       1.1777      2.00000
      3       1.8219      2.00000
      4       4.7752      2.00000
      5       5.2683      1.99990
      6       8.3572      0.00000
      7       8.7131      0.00000
      8       9.0946      0.00000
      9      11.0164      0.00000
     10      11.8708      0.00000
     11      12.0998      0.00000
     12      12.4682      0.00000

 k-point   433 :       0.3846   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.5984      2.00000
      2       0.6421      2.00000
      3       1.9219      2.00000
      4       4.1915      2.00000
      5       5.5109      1.99890
      6       7.6740      0.00000
      7       9.0609      0.00000
      8       9.4303      0.00000
      9      10.9452      0.00000
     10      11.7117      0.00000
     11      11.8787      0.00000
     12      12.6797      0.00000

 k-point   434 :       0.4615   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2121      2.00000
      2       0.0939      2.00000
      3       2.2021      2.00000
      4       3.7114      2.00000
      5       5.8517      1.96734
      6       7.1395      0.00031
      7       9.3822      0.00000
      8       9.7932      0.00000
      9      10.5527      0.00000
     10      11.2479      0.00000
     11      11.9406      0.00000
     12      12.9573      0.00000

 k-point   435 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4667      2.00000
      2      -0.0582      2.00000
      3       5.4722      1.99925
      4       5.5276      1.99870
      5       6.8597      0.00504
      6       7.2989      0.00006
      7       7.6107      0.00000
      8       7.6784      0.00000
      9       8.9686      0.00000
     10      11.4671      0.00000
     11      13.1227      0.00000
     12      13.7081      0.00000

 k-point   436 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4157      2.00000
      2      -0.0143      2.00000
      3       4.8518      2.00000
      4       5.5282      1.99869
      5       6.7654      0.01288
      6       7.3103      0.00006
      7       7.7207      0.00000
      8       7.9584      0.00000
      9       9.4364      0.00000
     10      11.6513      0.00000
     11      12.6475      0.00000
     12      13.1961      0.00000

 k-point   437 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.2634      2.00000
      2       0.1155      2.00000
      3       3.8179      2.00000
      4       5.6725      1.99448
      5       5.9233      1.93425
      6       7.4223      0.00002
      7       7.9609      0.00000
      8       8.9874      0.00000
      9      10.1897      0.00000
     10      11.5602      0.00000
     11      12.2473      0.00000
     12      12.8702      0.00000

 k-point   438 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.0119      2.00000
      2       0.3236      2.00000
      3       2.8164      2.00000
      4       5.0300      1.99999
      5       5.9150      1.93932
      6       7.6623      0.00000
      7       8.1966      0.00000
      8       9.8344      0.00000
      9      10.5442      0.00000
     10      11.1665      0.00000
     11      12.1294      0.00000
     12      12.8712      0.00000

 k-point   439 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.6670      2.00000
      2       0.5839      2.00000
      3       1.9182      2.00000
      4       4.2117      2.00000
      5       6.2477      1.06865
      6       7.9949      0.00000
      7       8.5013      0.00000
      8       9.5982      0.00000
      9      10.2543      0.00000
     10      11.3965      0.00000
     11      12.0638      0.00000
     12      12.5311      0.00000

 k-point   440 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.2458      2.00000
      2       0.7189      2.00000
      3       1.2991      2.00000
      4       3.5227      2.00000
      5       6.6594      0.03672
      6       8.3924      0.00000
      7       8.7817      0.00000
      8       8.8826      0.00000
      9      10.2513      0.00000
     10      10.8680      0.00000
     11      11.4042      0.00000
     12      13.5859      0.00000

 k-point   441 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.8316      2.00000
      2       0.3292      2.00000
      3       1.3474      2.00000
      4       3.0716      2.00000
      5       7.0778      0.00057
      6       8.1669      0.00000
      7       8.8251      0.00000
      8       9.1542      0.00000
      9       9.8512      0.00000
     10      10.6783      0.00000
     11      11.0661      0.00000
     12      13.5001      0.00000

 k-point   442 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.4350      2.00000
      2       0.0202      2.00000
      3       5.0159      1.99999
      4       5.5544      1.99830
      5       6.5574      0.09859
      6       7.1591      0.00025
      7       7.7641      0.00000
      8       7.7923      0.00000
      9       9.6315      0.00000
     10      11.7983      0.00000
     11      12.9751      0.00000
     12      13.1274      0.00000

 k-point   443 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3841      2.00000
      2       0.0642      2.00000
      3       4.8691      2.00000
      4       5.0740      1.99999
      5       6.5986      0.06641
      6       7.1241      0.00036
      7       7.6921      0.00000
      8       8.2779      0.00000
      9      10.0518      0.00000
     10      11.8769      0.00000
     11      12.2445      0.00000
     12      13.1447      0.00000

 k-point   444 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2320      2.00000
      2       0.1946      2.00000
      3       3.8465      2.00000
      4       5.1697      1.99996
      5       6.0485      1.78749
      6       6.9774      0.00155
      7       8.0976      0.00000
      8       9.2938      0.00000
      9      10.7836      0.00000
     10      11.1195      0.00000
     11      12.3419      0.00000
     12      13.0373      0.00000

 k-point   445 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9808      2.00000
      2       0.4036      2.00000
      3       2.8473      2.00000
      4       4.9749      1.99999
      5       5.6188      1.99677
      6       7.1786      0.00021
      7       8.3547      0.00000
      8      10.1108      0.00000
      9      10.4949      0.00000
     10      11.4302      0.00000
     11      12.0255      0.00000
     12      12.6065      0.00000

 k-point   446 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6364      2.00000
      2       0.6638      2.00000
      3       1.9527      2.00000
      4       4.2436      2.00000
      5       5.8707      1.96062
      6       7.4739      0.00001
      7       8.6390      0.00000
      8       9.2110      0.00000
      9      11.0816      0.00000
     10      11.1412      0.00000
     11      12.0945      0.00000
     12      12.6862      0.00000

 k-point   447 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.2161      2.00000
      2       0.7779      2.00000
      3       1.3599      2.00000
      4       3.5681      2.00000
      5       6.2697      0.95890
      6       7.7970      0.00000
      7       8.4210      0.00000
      8       8.9736      0.00000
      9      10.3559      0.00000
     10      11.0727      0.00000
     11      12.0261      0.00000
     12      13.9105      0.00000

 k-point   448 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.8038      2.00000
      2       0.3673      2.00000
      3       1.4367      2.00000
      4       3.1166      2.00000
      5       6.6895      0.02731
      6       7.7076      0.00000
      7       8.1807      0.00000
      8       9.2942      0.00000
      9       9.7785      0.00000
     10      10.8333      0.00000
     11      12.1124      0.00000
     12      14.1052      0.00000

 k-point   449 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.3025      2.00000
      2       0.1850      2.00000
      3       3.9824      2.00000
      4       5.6388      1.99606
      5       5.6784      1.99415
      6       7.4454      0.00001
      7       7.9464      0.00000
      8       8.8176      0.00000
      9      10.2273      0.00000
     10      11.8295      0.00000
     11      12.5717      0.00000
     12      12.9726      0.00000

 k-point   450 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2517      2.00000
      2       0.2298      2.00000
      3       4.0231      2.00000
      4       4.9823      1.99999
      5       5.7453      1.98861
      6       7.3842      0.00003
      7       8.1366      0.00000
      8       9.0954      0.00000
      9      10.6323      0.00000
     10      11.1476      0.00000
     11      12.5766      0.00000
     12      13.0023      0.00000

 k-point   451 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0997      2.00000
      2       0.3622      2.00000
      3       3.9166      2.00000
      4       4.2094      2.00000
      5       5.6904      1.99341
      6       6.6610      0.03613
      7       9.1148      0.00000
      8       9.6219      0.00000
      9      10.1113      0.00000
     10      11.5548      0.00000
     11      11.9656      0.00000
     12      13.0765      0.00000

 k-point   452 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.8488      2.00000
      2       0.5748      2.00000
      3       2.9609      2.00000
      4       4.3473      2.00000
      5       5.2622      1.99991
      6       6.4327      0.30583
      7       9.1219      0.00000
      8       9.4829      0.00000
      9      10.8306      0.00000
     10      11.2244      0.00000
     11      12.3982      0.00000
     12      13.3745      0.00000

 k-point   453 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.5046      2.00000
      2       0.8402      2.00000
      3       2.0735      2.00000
      4       4.2157      2.00000
      5       4.9848      1.99999
      6       6.5763      0.08233
      7       8.2330      0.00000
      8       9.7134      0.00000
      9      10.4572      0.00000
     10      12.1971      0.00000
     11      12.8854      0.00000
     12      13.2161      0.00000

 k-point   454 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.0845      2.00000
      2       0.9386      2.00000
      3       1.5088      2.00000
      4       3.6446      2.00000
      5       5.2833      1.99989
      6       6.7785      0.01131
      7       7.4798      0.00001
      8       9.5606      0.00000
      9      10.3538      0.00000
     10      12.2129      0.00000
     11      13.1951      0.00000
     12      14.0254      0.00000

 k-point   455 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.6722      2.00000
      2       0.5023      2.00000
      3       1.6261      2.00000
      4       3.2018      2.00000
      5       5.6671      1.99477
      6       6.6926      0.02647
      7       7.1574      0.00026
      8       9.2490      0.00000
      9      10.6030      0.00000
     10      11.8226      0.00000
     11      13.4544      0.00000
     12      14.4577      0.00000

 k-point   456 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0714      2.00000
      2       0.4304      2.00000
      3       2.9550      2.00000
      4       4.7618      2.00000
      5       5.8987      1.94821
      6       7.7004      0.00000
      7       8.2219      0.00000
      8       9.8341      0.00000
      9      10.7790      0.00000
     10      10.9209      0.00000
     11      12.3299      0.00000
     12      12.6039      0.00000

 k-point   457 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0206      2.00000
      2       0.4763      2.00000
      3       3.0002      2.00000
      4       4.7211      2.00000
      5       5.3531      1.99977
      6       7.6508      0.00000
      7       8.4250      0.00000
      8      10.1026      0.00000
      9      10.2958      0.00000
     10      11.1414      0.00000
     11      12.1168      0.00000
     12      12.9697      0.00000

 k-point   458 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.8686      2.00000
      2       0.6126      2.00000
      3       3.1291      2.00000
      4       4.1379      2.00000
      5       4.9906      1.99999
      6       6.7742      0.01179
      7       9.1215      0.00000
      8       9.6675      0.00000
      9      10.6255      0.00000
     10      11.1836      0.00000
     11      12.1907      0.00000
     12      13.5060      0.00000

 k-point   459 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.6177      2.00000
      2       0.8325      2.00000
      3       3.0956      2.00000
      4       3.4440      2.00000
      5       4.9346      2.00000
      6       6.0294      1.82127
      7       8.1493      0.00000
      8      10.1916      0.00000
      9      10.8377      0.00000
     10      11.4048      0.00000
     11      13.2630      0.00000
     12      13.7405      0.00000

 k-point   460 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.2734      2.00000
      2       1.1099      2.00000
      3       2.2708      2.00000
      4       3.6496      2.00000
      5       4.6083      2.00000
      6       5.7489      1.98819
      7       7.2665      0.00009
      8       9.5172      0.00000
      9      11.2961      0.00000
     10      12.7255      0.00000
     11      13.8954      0.00000
     12      14.0693      0.00000

 k-point   461 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.8525      2.00000
      2       1.1994      2.00000
      3       1.7389      2.00000
      4       3.6572      2.00000
      5       4.3858      2.00000
      6       5.7865      1.98285
      7       6.5339      0.12315
      8       8.9685      0.00000
      9      11.6817      0.00000
     10      13.4802      0.00000
     11      14.1947      0.00000
     12      14.4877      0.00000

 k-point   462 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.4376      2.00000
      2       0.7308      2.00000
      3       1.9126      2.00000
      4       3.3116      2.00000
      5       4.6412      2.00000
      6       5.6837      1.99383
      7       6.1786      1.39227
      8       8.6501      0.00000
      9      12.0304      0.00000
     10      13.1170      0.00000
     11      14.6067      0.00000
     12      14.9053      0.00000

 k-point   463 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.7467      2.00000
      2       0.7372      2.00000
      3       2.0118      2.00000
      4       3.9805      2.00000
      5       6.2127      1.23938
      6       8.0159      0.00000
      7       8.5811      0.00000
      8       9.8303      0.00000
      9      10.3197      0.00000
     10      11.5809      0.00000
     11      11.7069      0.00000
     12      12.1544      0.00000

 k-point   464 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6958      2.00000
      2       0.7854      2.00000
      3       2.0584      2.00000
      4       3.9940      2.00000
      5       5.6080      1.99710
      6       7.9807      0.00000
      7       8.7330      0.00000
      8       9.2076      0.00000
      9      10.9346      0.00000
     10      11.2688      0.00000
     11      12.2046      0.00000
     12      12.3628      0.00000

 k-point   465 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5436      2.00000
      2       0.9287      2.00000
      3       2.1961      2.00000
      4       3.9715      2.00000
      5       4.6957      2.00000
      6       7.0163      0.00105
      7       8.2226      0.00000
      8       9.9146      0.00000
      9      10.4769      0.00000
     10      12.0227      0.00000
     11      12.6890      0.00000
     12      13.3999      0.00000

 k-point   466 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.2923      2.00000
      2       1.1615      2.00000
      3       2.4129      2.00000
      4       3.4348      2.00000
      5       4.3549      2.00000
      6       6.0739      1.73427
      7       7.2632      0.00009
      8       9.5545      0.00000
      9      11.4903      0.00000
     10      12.5178      0.00000
     11      13.7663      0.00000
     12      14.0286      0.00000

 k-point   467 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.9470      2.00000
      2       1.4626      2.00000
      3       2.4649      2.00000
      4       2.8474      2.00000
      5       4.3625      2.00000
      6       5.2803      1.99989
      7       6.3971      0.40984
      8       8.9013      0.00000
      9      12.6929      0.00000
     10      13.1640      0.00000
     11      14.3571      0.00000
     12      14.9302      0.00000

 k-point   468 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.5236      2.00000
      2       1.5550      2.00000
      3       2.0328      2.00000
      4       3.1240      2.00000
      5       4.1187      2.00000
      6       4.8860      2.00000
      7       5.6861      1.99368
      8       8.4004      0.00000
      9      13.1765      0.00000
     10      14.2744      0.00000
     11      14.9652      0.00000
     12      15.1544      0.00000

 k-point   469 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.1024      2.00000
      2       1.0445      2.00000
      3       2.2878      2.00000
      4       3.3502      2.00000
      5       3.7708      2.00000
      6       4.7668      2.00000
      7       5.2890      1.99988
      8       8.1226      0.00000
      9      13.5534      0.00000
     10      14.4406      0.00000
     11      14.9009      0.00000
     12      16.2688      0.00000

 k-point   470 :       0.0000   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7788      2.00000
      2       0.2013      2.00000
      3       1.3309      2.00000
      4       3.1683      2.00000
      5       7.1994      0.00017
      6       8.1071      0.00000
      7       8.9090      0.00000
      8       9.1267      0.00000
      9       9.8210      0.00000
     10      10.7828      0.00000
     11      10.9409      0.00000
     12      13.5152      0.00000

 k-point   471 :       0.0769   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7264      2.00000
      2       0.2510      2.00000
      3       1.3797      2.00000
      4       3.1907      2.00000
      5       6.5373      0.11928
      6       7.4970      0.00001
      7       8.5139      0.00000
      8       9.6575      0.00000
      9      10.2188      0.00000
     10      10.7075      0.00000
     11      11.6867      0.00000
     12      13.9461      0.00000

 k-point   472 :       0.1538   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5696      2.00000
      2       0.3990      2.00000
      3       1.5251      2.00000
      4       3.2534      2.00000
      5       5.4865      1.99914
      6       6.4992      0.16982
      7       7.5286      0.00001
      8       9.6004      0.00000
      9      11.0019      0.00000
     10      11.8832      0.00000
     11      12.9292      0.00000
     12      14.4899      0.00000

 k-point   473 :       0.2308   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3093      2.00000
      2       0.6424      2.00000
      3       1.7638      2.00000
      4       3.3375      2.00000
      5       4.4648      2.00000
      6       5.5247      1.99874
      7       6.5544      0.10146
      8       8.9170      0.00000
      9      12.4695      0.00000
     10      13.2652      0.00000
     11      14.3131      0.00000
     12      14.7314      0.00000

 k-point   474 :       0.3077   -0.4615    0.3846
  band No.  band energies     occupation 
      1       0.0522      2.00000
      2       0.9733      2.00000
      3       2.0865      2.00000
      4       3.3106      2.00000
      5       3.6249      2.00000
      6       4.6624      2.00000
      7       5.6635      1.99496
      8       8.3208      0.00000
      9      14.0176      0.00000
     10      14.6596      0.00000
     11      15.0700      0.00000
     12      15.7380      0.00000

 k-point   475 :       0.3846   -0.4615    0.3846
  band No.  band energies     occupation 
      1       0.5075      2.00000
      2       1.3682      2.00000
      3       2.4572      2.00000
      4       2.6170      2.00000
      5       3.4108      2.00000
      6       4.0657      2.00000
      7       4.8990      2.00000
      8       7.8781      0.00000
      9      15.4115      0.00000
     10      15.6142      0.00000
     11      15.9096      0.00000
     12      16.8345      0.00000

 k-point   476 :       0.4615   -0.4615    0.3846
  band No.  band energies     occupation 
      1       1.0121      2.00000
      2       1.7290      2.00000
      3       1.9099      2.00000
      4       2.8124      2.00000
      5       3.0583      2.00000
      6       3.9230      2.00000
      7       4.3686      2.00000
      8       7.6394      0.00000
      9      15.8969      0.00000
     10      16.4723      0.00000
     11      16.6071      0.00000
     12      16.9511      0.00000

 k-point   477 :       0.0000   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1590      2.00000
      2       0.4728      2.00000
      3       1.2928      2.00000
      4       3.7148      2.00000
      5       6.8094      0.00831
      6       8.5079      0.00000
      7       8.6191      0.00000
      8       8.8721      0.00000
      9       9.9520      0.00000
     10      11.0741      0.00000
     11      11.4591      0.00000
     12      13.7094      0.00000

 k-point   478 :       0.0769   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1074      2.00000
      2       0.5249      2.00000
      3       1.3356      2.00000
      4       3.7347      2.00000
      5       6.1905      1.34066
      6       7.7924      0.00000
      7       8.3892      0.00000
      8       9.3382      0.00000
      9      10.7473      0.00000
     10      10.9047      0.00000
     11      11.7957      0.00000
     12      14.0394      0.00000

 k-point   479 :       0.1538   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9532      2.00000
      2       0.6810      2.00000
      3       1.4618      2.00000
      4       3.7776      2.00000
      5       5.2005      1.99995
      6       6.7202      0.02016
      7       7.5322      0.00001
      8      10.0465      0.00000
      9      10.7530      0.00000
     10      12.0509      0.00000
     11      12.8985      0.00000
     12      14.1796      0.00000

 k-point   480 :       0.2308   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.6979      2.00000
      2       0.9399      2.00000
      3       1.6634      2.00000
      4       3.6965      2.00000
      5       4.3877      2.00000
      6       5.6850      1.99375
      7       6.6671      0.03404
      8       9.3512      0.00000
      9      12.1449      0.00000
     10      13.4335      0.00000
     11      14.1942      0.00000
     12      14.4192      0.00000

 k-point   481 :       0.3077   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.3452      2.00000
      2       1.2988      2.00000
      3       1.9153      2.00000
      4       3.0697      2.00000
      5       4.2182      2.00000
      6       4.7332      2.00000
      7       5.9064      1.94421
      8       8.6994      0.00000
      9      13.6756      0.00000
     10      14.6488      0.00000
     11      14.8284      0.00000
     12      15.4583      0.00000

 k-point   482 :       0.3846   -0.3846    0.3846
  band No.  band energies     occupation 
      1       0.0931      2.00000
      2       1.7492      2.00000
      3       2.0348      2.00000
      4       2.4615      2.00000
      5       3.8843      2.00000
      6       4.2347      2.00000
      7       5.3430      1.99979
      8       8.2053      0.00000
      9      15.1377      0.00000
     10      15.1903      0.00000
     11      15.6244      0.00000
     12      16.1608      0.00000

 k-point   483 :       0.4615   -0.3846    0.3846
  band No.  band energies     occupation 
      1       0.5529      2.00000
      2       1.5446      2.00000
      3       2.2378      2.00000
      4       2.5330      2.00000
      5       3.1958      2.00000
      6       4.1764      2.00000
      7       5.0821      1.99998
      8       7.9331      0.00000
      9      15.6175      0.00000
     10      16.0098      0.00000
     11      16.0902      0.00000
     12      16.3043      0.00000

 k-point   484 :       0.0000   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5931      2.00000
      2       0.4171      2.00000
      3       1.8119      2.00000
      4       4.4541      2.00000
      5       6.3818      0.46204
      6       8.2454      0.00000
      7       8.2874      0.00000
      8       9.4998      0.00000
      9       9.9564      0.00000
     10      11.4500      0.00000
     11      12.3131      0.00000
     12      12.7032      0.00000

 k-point   485 :       0.0769   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5418      2.00000
      2       0.4660      2.00000
      3       1.8547      2.00000
      4       4.4511      2.00000
      5       5.8092      1.97852
      6       7.6723      0.00000
      7       8.8493      0.00000
      8       9.0351      0.00000
      9      10.6761      0.00000
     10      11.7061      0.00000
     11      12.1424      0.00000
     12      12.7764      0.00000

 k-point   486 :       0.1538   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.3886      2.00000
      2       0.6119      2.00000
      3       1.9807      2.00000
      4       4.2972      2.00000
      5       5.0284      1.99999
      6       6.6999      0.02464
      7       8.0175      0.00000
      8      10.1791      0.00000
      9      10.9331      0.00000
     10      11.8970      0.00000
     11      12.9475      0.00000
     12      13.2157      0.00000

 k-point   487 :       0.2308   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.1351      2.00000
      2       0.8507      2.00000
      3       2.1777      2.00000
      4       3.5850      2.00000
      5       4.8151      2.00000
      6       5.7839      1.98328
      7       7.1487      0.00028
      8       9.9943      0.00000
      9      11.7473      0.00000
     10      12.9296      0.00000
     11      13.3918      0.00000
     12      14.3519      0.00000

 k-point   488 :       0.3077   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.7858      2.00000
      2       1.1703      2.00000
      3       2.3459      2.00000
      4       2.8258      2.00000
      5       4.5402      2.00000
      6       5.2153      1.99994
      7       6.4293      0.31464
      8       9.2927      0.00000
      9      13.2142      0.00000
     10      13.4442      0.00000
     11      14.2198      0.00000
     12      15.0099      0.00000

 k-point   489 :       0.3846   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.3546      2.00000
      2       1.4879      2.00000
      3       1.8902      2.00000
      4       2.8625      2.00000
      5       3.8983      2.00000
      6       5.0025      1.99999
      7       6.0206      1.83501
      8       8.7388      0.00000
      9      13.8144      0.00000
     10      14.6168      0.00000
     11      14.8631      0.00000
     12      15.5021      0.00000

 k-point   490 :       0.4615   -0.3077    0.3846
  band No.  band energies     occupation 
      1       0.0863      2.00000
      2       1.1431      2.00000
      3       1.9809      2.00000
      4       3.0882      2.00000
      5       3.3796      2.00000
      6       4.7555      2.00000
      7       5.9417      1.92151
      8       8.4212      0.00000
      9      14.2628      0.00000
     10      14.9094      0.00000
     11      15.1912      0.00000
     12      15.4897      0.00000

 k-point   491 :       0.0000   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9559      2.00000
      2       0.2121      2.00000
      3       2.6535      2.00000
      4       5.2977      1.99987
      5       6.0282      1.82307
      6       7.9371      0.00000
      7       8.0020      0.00000
      8       9.6851      0.00000
      9      10.3955      0.00000
     10      11.2367      0.00000
     11      11.9788      0.00000
     12      13.0079      0.00000

 k-point   492 :       0.0769   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9047      2.00000
      2       0.2584      2.00000
      3       2.6956      2.00000
      4       5.0913      1.99998
      5       5.6797      1.99407
      6       7.4238      0.00002
      7       8.6377      0.00000
      8       9.7499      0.00000
      9      10.3187      0.00000
     10      11.3171      0.00000
     11      12.5519      0.00000
     12      12.6386      0.00000

 k-point   493 :       0.1538   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7518      2.00000
      2       0.3959      2.00000
      3       2.8157      2.00000
      4       4.2633      2.00000
      5       5.5333      1.99862
      6       6.5897      0.07241
      7       8.8071      0.00000
      8       9.8954      0.00000
      9      11.1000      0.00000
     10      11.6106      0.00000
     11      11.8326      0.00000
     12      13.4389      0.00000

 k-point   494 :       0.2308   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.4991      2.00000
      2       0.6191      2.00000
      3       2.9299      2.00000
      4       3.3949      2.00000
      5       5.1923      1.99995
      6       6.1353      1.55888
      7       7.9059      0.00000
      8      10.7384      0.00000
      9      11.3301      0.00000
     10      11.6022      0.00000
     11      12.5368      0.00000
     12      14.0178      0.00000

 k-point   495 :       0.3077   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.1515      2.00000
      2       0.9101      2.00000
      3       2.3224      2.00000
      4       3.3652      2.00000
      5       4.5164      2.00000
      6       6.1166      1.61966
      7       7.1645      0.00024
      8      10.0276      0.00000
      9      11.8715      0.00000
     10      12.7600      0.00000
     11      13.2497      0.00000
     12      14.5826      0.00000

 k-point   496 :       0.3846   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.7241      2.00000
      2       1.1521      2.00000
      3       1.6444      2.00000
      4       3.4588      2.00000
      5       4.0618      2.00000
      6       5.9250      1.93318
      7       6.8512      0.00548
      8       9.4215      0.00000
      9      12.2938      0.00000
     10      13.3731      0.00000
     11      14.2266      0.00000
     12      14.4690      0.00000

 k-point   497 :       0.4615   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.2940      2.00000
      2       0.8017      2.00000
      3       1.6813      2.00000
      4       3.1553      2.00000
      5       4.1837      2.00000
      6       5.5603      1.99820
      7       6.9007      0.00334
      8       9.0548      0.00000
      9      12.7271      0.00000
     10      13.5033      0.00000
     11      13.8006      0.00000
     12      15.0749      0.00000

 k-point   498 :       0.0000   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2258      2.00000
      2       0.0444      2.00000
      3       3.6224      2.00000
      4       5.7656      1.98606
      5       6.1725      1.41763
      6       7.7433      0.00000
      7       7.7991      0.00000
      8       9.0539      0.00000
      9       9.9610      0.00000
     10      11.4075      0.00000
     11      11.9658      0.00000
     12      12.7138      0.00000

 k-point   499 :       0.0769   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.1747      2.00000
      2       0.0893      2.00000
      3       3.6600      2.00000
      4       5.0719      1.99999
      5       6.3427      0.61495
      6       7.2364      0.00012
      7       8.3955      0.00000
      8       9.4320      0.00000
      9      10.2089      0.00000
     10      10.7170      0.00000
     11      12.1770      0.00000
     12      13.1824      0.00000

 k-point   500 :       0.1538   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0220      2.00000
      2       0.2223      2.00000
      3       3.7103      2.00000
      4       4.1321      2.00000
      5       6.0092      1.85148
      6       6.8373      0.00630
      7       9.5560      0.00000
      8       9.7323      0.00000
      9       9.7996      0.00000
     10      10.9016      0.00000
     11      12.3503      0.00000
     12      13.0308      0.00000

 k-point   501 :       0.2308   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.7698      2.00000
      2       0.4369      2.00000
      3       2.9998      2.00000
      4       4.0378      2.00000
      5       5.2216      1.99994
      6       6.9511      0.00202
      7       8.7957      0.00000
      8      10.0235      0.00000
      9      10.9122      0.00000
     10      11.4174      0.00000
     11      11.9392      0.00000
     12      13.6291      0.00000

 k-point   502 :       0.3077   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.4233      2.00000
      2       0.7117      2.00000
      3       2.1130      2.00000
      4       4.0578      2.00000
      5       4.6823      2.00000
      6       7.1236      0.00036
      7       8.0169      0.00000
      8      10.3349      0.00000
      9      10.9024      0.00000
     10      11.7220      0.00000
     11      12.8154      0.00000
     12      13.5410      0.00000

 k-point   503 :       0.3846   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.9986      2.00000
      2       0.9074      2.00000
      3       1.4463      2.00000
      4       3.5421      2.00000
      5       4.8688      2.00000
      6       6.9293      0.00251
      7       7.7684      0.00000
      8      10.1619      0.00000
      9      10.8521      0.00000
     10      12.0484      0.00000
     11      12.8648      0.00000
     12      14.1781      0.00000

 k-point   504 :       0.4615   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.5757      2.00000
      2       0.5479      2.00000
      3       1.4711      2.00000
      4       3.1044      2.00000
      5       5.1820      1.99996
      6       6.4855      0.19248
      7       7.9264      0.00000
      8       9.7676      0.00000
      9      11.2498      0.00000
     10      12.0850      0.00000
     11      12.4350      0.00000
     12      14.5447      0.00000

 k-point   505 :       0.0000   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3968      2.00000
      2      -0.0491      2.00000
      3       4.6484      2.00000
      4       5.5981      1.99737
      5       6.8639      0.00483
      6       7.6903      0.00000
      7       7.7410      0.00000
      8       8.0329      0.00000
      9       9.0554      0.00000
     10      11.5412      0.00000
     11      12.5215      0.00000
     12      13.0149      0.00000

 k-point   506 :       0.0769   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3457      2.00000
      2      -0.0050      2.00000
      3       4.6474      2.00000
      4       4.9763      1.99999
      5       6.9162      0.00287
      6       7.3255      0.00005
      7       8.1309      0.00000
      8       8.3095      0.00000
      9       9.4918      0.00000
     10      11.5521      0.00000
     11      11.9486      0.00000
     12      13.3234      0.00000

 k-point   507 :       0.1538   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.1932      2.00000
      2       0.1257      2.00000
      3       3.8631      2.00000
      4       4.8509      2.00000
      5       6.0297      1.82078
      6       7.5714      0.00000
      7       8.4478      0.00000
      8       9.2340      0.00000
      9      10.2086      0.00000
     10      10.7417      0.00000
     11      12.3599      0.00000
     12      13.3223      0.00000

 k-point   508 :       0.2308   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9414      2.00000
      2       0.3356      2.00000
      3       2.8714      2.00000
      4       4.8578      2.00000
      5       5.3387      1.99980
      6       7.8215      0.00000
      7       8.7090      0.00000
      8       9.6950      0.00000
      9      10.1754      0.00000
     10      11.2049      0.00000
     11      12.5974      0.00000
     12      13.0892      0.00000

 k-point   509 :       0.3077   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.5958      2.00000
      2       0.6006      2.00000
      3       1.9724      2.00000
      4       4.1939      2.00000
      5       5.4951      1.99906
      6       8.1001      0.00000
      7       8.8857      0.00000
      8       9.0529      0.00000
      9      10.5708      0.00000
     10      11.7489      0.00000
     11      12.3160      0.00000
     12      12.6117      0.00000

 k-point   510 :       0.3846   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.1731      2.00000
      2       0.7623      2.00000
      3       1.3285      2.00000
      4       3.5190      2.00000
      5       5.8649      1.96280
      6       7.9631      0.00000
      7       8.6302      0.00000
      8       9.4625      0.00000
      9      10.7317      0.00000
     10      11.0777      0.00000
     11      11.6252      0.00000
     12      13.8030      0.00000

 k-point   511 :       0.4615   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.7554      2.00000
      2       0.3895      2.00000
      3       1.3590      2.00000
      4       3.0695      2.00000
      5       6.2329      1.14214
      6       7.4514      0.00001
      7       8.8945      0.00000
      8       9.8908      0.00000
      9      10.4443      0.00000
     10      10.7761      0.00000
     11      11.2500      0.00000
     12      13.7051      0.00000

 k-point   512 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.1141      2.00000
      2      -0.6058      2.00000
      3       5.8953      1.94990
      4       5.9548      1.91105
      5       6.8264      0.00702
      6       7.0505      0.00075
      7       7.4250      0.00002
      8       7.5198      0.00001
      9       8.2404      0.00000
     10      11.3072      0.00000
     11      14.0251      0.00000
     12      14.4702      0.00000

 k-point   513 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0615      2.00000
      2      -0.5631      2.00000
      3       5.2551      1.99991
      4       5.9441      1.91969
      5       6.3487      0.58971
      6       6.8808      0.00408
      7       7.7866      0.00000
      8       8.1336      0.00000
      9       8.7375      0.00000
     10      11.4740      0.00000
     11      13.0416      0.00000
     12      13.9681      0.00000

 k-point   514 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9041      2.00000
      2      -0.4366      2.00000
      3       4.1882      2.00000
      4       5.4071      1.99961
      5       6.0957      1.67990
      6       7.0303      0.00092
      7       7.9931      0.00000
      8       8.9930      0.00000
      9       9.8565      0.00000
     10      11.8582      0.00000
     11      12.0878      0.00000
     12      13.0268      0.00000

 k-point   515 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6432      2.00000
      2      -0.2321      2.00000
      3       3.1511      2.00000
      4       4.5183      2.00000
      5       6.3340      0.65243
      6       7.2756      0.00008
      7       8.2547      0.00000
      8       9.5108      0.00000
      9      10.9055      0.00000
     10      11.2727      0.00000
     11      12.0440      0.00000
     12      12.7300      0.00000

 k-point   516 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.2819      2.00000
      2       0.0355      2.00000
      3       2.1962      2.00000
      4       3.7225      2.00000
      5       6.6655      0.03458
      6       7.6110      0.00000
      7       8.6008      0.00000
      8       9.7643      0.00000
      9      10.0468      0.00000
     10      11.1307      0.00000
     11      11.9585      0.00000
     12      12.8075      0.00000

 k-point   517 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.8299      2.00000
      2       0.3279      2.00000
      3       1.3476      2.00000
      4       3.0705      2.00000
      5       7.0779      0.00057
      6       8.0164      0.00000
      7       9.0193      0.00000
      8       9.1570      0.00000
      9      10.0337      0.00000
     10      10.3482      0.00000
     11      11.1811      0.00000
     12      13.4848      0.00000

 k-point   518 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.3450      2.00000
      2       0.5077      2.00000
      3       0.7096      2.00000
      4       2.6637      2.00000
      5       7.5052      0.00001
      6       8.3974      0.00000
      7       8.5427      0.00000
      8       9.4350      0.00000
      9       9.7187      0.00000
     10      10.2115      0.00000
     11      10.5458      0.00000
     12      13.3758      0.00000

 k-point   519 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0738      2.00000
      2      -0.5460      2.00000
      3       5.3154      1.99984
      4       5.9860      1.88038
      5       6.2039      1.28022
      6       7.1218      0.00037
      7       7.5545      0.00000
      8       7.9044      0.00000
      9       8.9582      0.00000
     10      11.5361      0.00000
     11      13.1592      0.00000
     12      14.2136      0.00000

 k-point   520 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0214      2.00000
      2      -0.5030      2.00000
      3       5.2779      1.99989
      4       5.3795      1.99970
      5       6.0609      1.76292
      6       6.7513      0.01481
      7       8.1435      0.00000
      8       8.3353      0.00000
      9       9.3039      0.00000
     10      11.6530      0.00000
     11      12.4061      0.00000
     12      13.7860      0.00000

 k-point   521 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8643      2.00000
      2      -0.3757      2.00000
      3       4.2265      2.00000
      4       5.3599      1.99976
      5       5.5327      1.99863
      6       6.6788      0.03036
      7       8.4166      0.00000
      8       9.4772      0.00000
      9      10.1141      0.00000
     10      11.3469      0.00000
     11      11.9745      0.00000
     12      12.9350      0.00000

 k-point   522 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.6040      2.00000
      2      -0.1697      2.00000
      3       3.1914      2.00000
      4       4.5327      2.00000
      5       5.7671      1.98585
      6       6.8590      0.00507
      7       8.6786      0.00000
      8      10.2136      0.00000
      9      10.3390      0.00000
     10      11.3346      0.00000
     11      11.6909      0.00000
     12      12.9048      0.00000

 k-point   523 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2437      2.00000
      2       0.1002      2.00000
      3       2.2385      2.00000
      4       3.7521      2.00000
      5       6.1088      1.64305
      6       7.1374      0.00031
      7       8.9864      0.00000
      8       9.4227      0.00000
      9      10.5051      0.00000
     10      10.9718      0.00000
     11      12.3538      0.00000
     12      12.8673      0.00000

 k-point   524 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.7937      2.00000
      2       0.3952      2.00000
      3       1.3937      2.00000
      4       3.1032      2.00000
      5       6.5392      0.11712
      6       7.4599      0.00001
      7       8.5811      0.00000
      8       9.3591      0.00000
      9      10.1189      0.00000
     10      10.8886      0.00000
     11      11.7340      0.00000
     12      13.9948      0.00000

 k-point   525 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.3142      2.00000
      2       0.5618      2.00000
      3       0.7791      2.00000
      4       2.6944      2.00000
      5       7.0078      0.00115
      6       7.7207      0.00000
      7       7.9212      0.00000
      8       9.5199      0.00000
      9       9.8596      0.00000
     10      10.8506      0.00000
     11      11.3927      0.00000
     12      13.8448      0.00000

 k-point   526 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.9303      2.00000
      2      -0.4013      2.00000
      3       4.2436      2.00000
      4       5.2958      1.99987
      5       6.1132      1.63016
      6       7.2914      0.00007
      7       7.7444      0.00000
      8       8.8843      0.00000
      9       9.8604      0.00000
     10      12.0436      0.00000
     11      12.1786      0.00000
     12      13.3131      0.00000

 k-point   527 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8780      2.00000
      2      -0.3576      2.00000
      3       4.2933      2.00000
      4       5.2335      1.99993
      5       5.4767      1.99922
      6       6.8494      0.00558
      7       8.5080      0.00000
      8       9.2451      0.00000
      9      10.0897      0.00000
     10      11.3557      0.00000
     11      12.0849      0.00000
     12      13.0072      0.00000

 k-point   528 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7214      2.00000
      2      -0.2281      2.00000
      3       4.3431      2.00000
      4       4.4554      2.00000
      5       5.0964      1.99998
      6       6.2904      0.85660
      7       9.5737      0.00000
      8       9.8213      0.00000
      9      10.3290      0.00000
     10      10.8383      0.00000
     11      11.5597      0.00000
     12      12.9916      0.00000

 k-point   529 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4618      2.00000
      2      -0.0183      2.00000
      3       3.3272      2.00000
      4       4.4970      2.00000
      5       4.7196      2.00000
      6       6.1618      1.46094
      7       9.2913      0.00000
      8       9.8622      0.00000
      9      10.8233      0.00000
     10      11.1425      0.00000
     11      11.7625      0.00000
     12      13.5366      0.00000

 k-point   530 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.1028      2.00000
      2       0.2578      2.00000
      3       2.3787      2.00000
      4       3.8059      2.00000
      5       5.0525      1.99999
      6       6.3002      0.80894
      7       8.3702      0.00000
      8       9.8958      0.00000
      9      10.3959      0.00000
     10      11.9159      0.00000
     11      13.0465      0.00000
     12      13.4624      0.00000

 k-point   531 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.6551      2.00000
      2       0.5614      2.00000
      3       1.5390      2.00000
      4       3.1758      2.00000
      5       5.4904      1.99910
      6       6.5138      0.14851
      7       7.5429      0.00001
      8       9.4080      0.00000
      9      10.6836      0.00000
     10      12.2112      0.00000
     11      12.8853      0.00000
     12      14.5610      0.00000

 k-point   532 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.1805      2.00000
      2       0.7182      2.00000
      3       0.9518      2.00000
      4       2.7648      2.00000
      5       5.9745      1.89264
      6       6.6805      0.02984
      7       6.8634      0.00485
      8       9.0694      0.00000
      9      11.0405      0.00000
     10      12.0518      0.00000
     11      12.7271      0.00000
     12      14.8265      0.00000

 k-point   533 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6853      2.00000
      2      -0.1772      2.00000
      3       3.1986      2.00000
      4       4.4208      2.00000
      5       6.3356      0.64552
      6       7.5560      0.00000
      7       8.0027      0.00000
      8       9.5241      0.00000
      9      11.0201      0.00000
     10      11.0490      0.00000
     11      12.2614      0.00000
     12      12.5577      0.00000

 k-point   534 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6331      2.00000
      2      -0.1323      2.00000
      3       3.2494      2.00000
      4       4.4245      2.00000
      5       5.6741      1.99439
      6       7.0697      0.00062
      7       8.7651      0.00000
      8      10.0561      0.00000
      9      10.3513      0.00000
     10      11.0832      0.00000
     11      11.7983      0.00000
     12      13.3395      0.00000

 k-point   535 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4770      2.00000
      2       0.0010      2.00000
      3       3.4013      2.00000
      4       4.3577      2.00000
      5       4.6831      2.00000
      6       6.2795      0.91041
      7       9.2974      0.00000
      8      10.0773      0.00000
      9      10.7442      0.00000
     10      10.9081      0.00000
     11      11.7101      0.00000
     12      13.7280      0.00000

 k-point   536 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2184      2.00000
      2       0.2175      2.00000
      3       3.5450      2.00000
      4       3.6558      2.00000
      5       4.3124      2.00000
      6       5.6848      1.99376
      7       8.2906      0.00000
      8       9.9898      0.00000
      9      11.2827      0.00000
     10      11.6004      0.00000
     11      12.5914      0.00000
     12      14.1668      0.00000

 k-point   537 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.8608      2.00000
      2       0.5042      2.00000
      3       2.6128      2.00000
      4       3.8139      2.00000
      5       4.0408      2.00000
      6       5.5049      1.99896
      7       7.3578      0.00003
      8       9.3086      0.00000
      9      11.6751      0.00000
     10      12.9746      0.00000
     11      13.5225      0.00000
     12      14.7007      0.00000

 k-point   538 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.4153      2.00000
      2       0.8237      2.00000
      3       1.7799      2.00000
      4       3.2734      2.00000
      5       4.4623      2.00000
      6       5.5690      1.99804
      7       6.5225      0.13699
      8       8.7782      0.00000
      9      12.0760      0.00000
     10      13.6242      0.00000
     11      14.2160      0.00000
     12      14.8219      0.00000

 k-point   539 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.0551      2.00000
      2       0.9756      2.00000
      3       1.2248      2.00000
      4       2.8672      2.00000
      5       4.9539      2.00000
      6       5.6573      1.99526
      7       5.8329      1.97286
      8       8.4772      0.00000
      9      12.4616      0.00000
     10      13.4364      0.00000
     11      14.1801      0.00000
     12      16.0005      0.00000

 k-point   540 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.3424      2.00000
      2       0.1122      2.00000
      3       2.2341      2.00000
      4       3.6409      2.00000
      5       6.6511      0.03982
      6       7.9064      0.00000
      7       8.3455      0.00000
      8       9.8618      0.00000
      9      10.0971      0.00000
     10      11.3244      0.00000
     11      11.6892      0.00000
     12      12.4745      0.00000

 k-point   541 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2904      2.00000
      2       0.1589      2.00000
      3       2.2854      2.00000
      4       3.6586      2.00000
      5       5.9931      1.87212
      6       7.3714      0.00003
      7       9.0879      0.00000
      8       9.4371      0.00000
      9      10.3611      0.00000
     10      11.0414      0.00000
     11      12.4204      0.00000
     12      12.5901      0.00000

 k-point   542 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1348      2.00000
      2       0.2979      2.00000
      3       2.4391      2.00000
      4       3.6991      2.00000
      5       4.9539      2.00000
      6       6.4689      0.22332
      7       8.3784      0.00000
      8       9.9980      0.00000
      9      10.4736      0.00000
     10      11.7480      0.00000
     11      12.7754      0.00000
     12      13.7145      0.00000

 k-point   543 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.8771      2.00000
      2       0.5248      2.00000
      3       2.6938      2.00000
      4       3.6567      2.00000
      5       4.0135      2.00000
      6       5.6165      1.99684
      7       7.3614      0.00003
      8       9.3197      0.00000
      9      11.8917      0.00000
     10      12.7474      0.00000
     11      13.3195      0.00000
     12      15.0469      0.00000

 k-point   544 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.5208      2.00000
      2       0.8283      2.00000
      3       2.9266      2.00000
      4       3.0449      2.00000
      5       3.7263      2.00000
      6       4.9907      1.99999
      7       6.4221      0.33441
      8       8.6906      0.00000
      9      13.1220      0.00000
     10      13.5072      0.00000
     11      14.4420      0.00000
     12      15.6692      0.00000

 k-point   545 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.0771      2.00000
      2       1.1743      2.00000
      3       2.1088      2.00000
      4       3.3270      2.00000
      5       3.5451      2.00000
      6       4.7433      2.00000
      7       5.5806      1.99780
      8       8.2156      0.00000
      9      13.5757      0.00000
     10      14.8868      0.00000
     11      15.2749      0.00000
     12      15.6011      0.00000

 k-point   546 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.3908      2.00000
      2       1.3311      2.00000
      3       1.5913      2.00000
      4       2.9868      2.00000
      5       4.0109      2.00000
      6       4.7167      2.00000
      7       4.8840      2.00000
      8       7.9551      0.00000
      9      13.9726      0.00000
     10      14.8812      0.00000
     11      15.6688      0.00000
     12      16.2550      0.00000

 k-point   547 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.9112      2.00000
      2       0.4282      2.00000
      3       1.3695      2.00000
      4       3.0112      2.00000
      5       7.0520      0.00074
      6       8.3102      0.00000
      7       8.7653      0.00000
      8       9.2879      0.00000
      9      10.0743      0.00000
     10      10.5345      0.00000
     11      10.8929      0.00000
     12      13.3931      0.00000

 k-point   548 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8593      2.00000
      2       0.4776      2.00000
      3       1.4213      2.00000
      4       3.0323      2.00000
      5       6.3978      0.40762
      6       7.7075      0.00000
      7       8.6047      0.00000
      8       9.4964      0.00000
      9      10.1165      0.00000
     10      10.8938      0.00000
     11      11.6501      0.00000
     12      13.7717      0.00000

 k-point   549 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7042      2.00000
      2       0.6250      2.00000
      3       1.5764      2.00000
      4       3.0913      2.00000
      5       5.3562      1.99977
      6       6.7146      0.02131
      7       7.5548      0.00000
      8       9.4545      0.00000
      9      10.8577      0.00000
     10      12.1141      0.00000
     11      12.9458      0.00000
     12      14.2365      0.00000

 k-point   550 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.4471      2.00000
      2       0.8672      2.00000
      3       1.8337      2.00000
      4       3.1703      2.00000
      5       4.3444      2.00000
      6       5.7408      1.98910
      7       6.5301      0.12760
      8       8.8011      0.00000
      9      12.3091      0.00000
     10      13.4900      0.00000
     11      14.3523      0.00000
     12      14.5214      0.00000

 k-point   551 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.0915      2.00000
      2       1.1961      2.00000
      3       2.1909      2.00000
      4       3.1529      2.00000
      5       3.5097      2.00000
      6       4.8684      2.00000
      7       5.5846      1.99770
      8       8.2278      0.00000
      9      13.8324      0.00000
     10      14.7003      0.00000
     11      15.0692      0.00000
     12      15.7688      0.00000

 k-point   552 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.3517      2.00000
      2       1.5851      2.00000
      3       2.5033      2.00000
      4       2.6401      2.00000
      5       3.3393      2.00000
      6       4.1874      2.00000
      7       4.7379      2.00000
      8       7.8029      0.00000
      9      15.0568      0.00000
     10      15.4943      0.00000
     11      16.2213      0.00000
     12      16.6198      0.00000

 k-point   553 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.8208      2.00000
      2       1.7748      2.00000
      3       2.0272      2.00000
      4       3.0621      2.00000
      5       3.2138      2.00000
      6       3.8860      2.00000
      7       4.0376      2.00000
      8       7.5747      0.00000
      9      15.5121      0.00000
     10      16.2849      0.00000
     11      16.5946      0.00000
     12      17.0861      0.00000

 k-point   554 :       0.0000   -0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2919      2.00000
      2       0.2509      2.00000
      3       0.8700      2.00000
      4       2.7049      2.00000
      5       7.6215      0.00000
      6       8.3016      0.00000
      7       8.7339      0.00000
      8       9.3918      0.00000
      9       9.7681      0.00000
     10      10.1454      0.00000
     11      10.4554      0.00000
     12      13.3727      0.00000

 k-point   555 :       0.0769   -0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2397      2.00000
      2       0.3031      2.00000
      3       0.9205      2.00000
      4       2.7264      2.00000
      5       6.9728      0.00163
      6       7.5859      0.00000
      7       8.1123      0.00000
      8       9.7887      0.00000
      9      10.1434      0.00000
     10      10.5687      0.00000
     11      11.2302      0.00000
     12      13.7595      0.00000

 k-point   556 :       0.1538   -0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.0833      2.00000
      2       0.4594      2.00000
      3       1.0712      2.00000
      4       2.7881      2.00000
      5       5.9283      1.93102
      6       6.5113      0.15206
      7       7.0945      0.00048
      8       9.1941      0.00000
      9      11.4500      0.00000
     10      11.8954      0.00000
     11      12.5122      0.00000
     12      14.6815      0.00000

 k-point   557 :       0.2308   -0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1763      2.00000
      2       0.7187      2.00000
      3       1.3195      2.00000
      4       2.8818      2.00000
      5       4.9020      2.00000
      6       5.4737      1.99924
      7       6.0903      1.69408
      8       8.5650      0.00000
      9      12.9150      0.00000
     10      13.3408      0.00000
     11      13.9294      0.00000
     12      15.8570      0.00000

 k-point   558 :       0.3077   -0.4615    0.4615
  band No.  band energies     occupation 
      1       0.5369      2.00000
      2       1.0781      2.00000
      3       1.6586      2.00000
      4       2.9917      2.00000
      5       3.9557      2.00000
      6       4.5200      2.00000
      7       5.1650      1.99997
      8       8.0192      0.00000
      9      14.4588      0.00000
     10      14.8281      0.00000
     11      15.4007      0.00000
     12      16.1648      0.00000

 k-point   559 :       0.3846   -0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9921      2.00000
      2       1.5290      2.00000
      3       2.0659      2.00000
      4       3.0163      2.00000
      5       3.1972      2.00000
      6       3.6698      2.00000
      7       4.3466      2.00000
      8       7.6174      0.00000
      9      16.0194      0.00000
     10      16.2248      0.00000
     11      16.6320      0.00000
     12      16.8356      0.00000

 k-point   560 :       0.4615   -0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4997      2.00000
      2       2.0172      2.00000
      3       2.3765      2.00000
      4       2.4405      2.00000
      5       2.9812      2.00000
      6       3.2762      2.00000
      7       3.6893      2.00000
      8       7.4030      0.00002
      9      16.9868      0.00000
     10      17.4024      0.00000
     11      17.4541      0.00000
     12      17.6659      0.00000

 k-point   561 :       0.0000   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7764      2.00000
      2       0.2014      2.00000
      3       1.3292      2.00000
      4       3.1666      2.00000
      5       7.2017      0.00017
      6       8.1071      0.00000
      7       8.9117      0.00000
      8       9.1256      0.00000
      9       9.8195      0.00000
     10      10.7806      0.00000
     11      10.9396      0.00000
     12      13.5123      0.00000

 k-point   562 :       0.0769   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7240      2.00000
      2       0.2510      2.00000
      3       1.3780      2.00000
      4       3.1890      2.00000
      5       6.5397      0.11660
      6       7.4966      0.00001
      7       8.5129      0.00000
      8       9.6599      0.00000
      9      10.2182      0.00000
     10      10.7047      0.00000
     11      11.6856      0.00000
     12      13.9427      0.00000

 k-point   563 :       0.1538   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.5672      2.00000
      2       0.3991      2.00000
      3       1.5234      2.00000
      4       3.2517      2.00000
      5       5.4889      1.99912
      6       6.4984      0.17114
      7       7.5275      0.00001
      8       9.5989      0.00000
      9      11.0047      0.00000
     10      11.8810      0.00000
     11      12.9282      0.00000
     12      14.4651      0.00000

 k-point   564 :       0.2308   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.3069      2.00000
      2       0.6427      2.00000
      3       1.7620      2.00000
      4       3.3359      2.00000
      5       4.4673      2.00000
      6       5.5235      1.99875
      7       6.5533      0.10249
      8       8.9155      0.00000
      9      12.4724      0.00000
     10      13.2624      0.00000
     11      14.3117      0.00000
     12      14.7069      0.00000

 k-point   565 :       0.3077   -0.3846    0.4615
  band No.  band energies     occupation 
      1       0.0545      2.00000
      2       0.9738      2.00000
      3       2.0847      2.00000
      4       3.3107      2.00000
      5       3.6260      2.00000
      6       4.6607      2.00000
      7       5.6624      1.99501
      8       8.3195      0.00000
      9      14.0209      0.00000
     10      14.6535      0.00000
     11      15.0460      0.00000
     12      15.7361      0.00000

 k-point   566 :       0.3846   -0.3846    0.4615
  band No.  band energies     occupation 
      1       0.5098      2.00000
      2       1.3692      2.00000
      3       2.4551      2.00000
      4       2.6194      2.00000
      5       3.4099      2.00000
      6       4.0634      2.00000
      7       4.8978      2.00000
      8       7.8770      0.00000
      9      15.3895      0.00000
     10      15.6170      0.00000
     11      15.8945      0.00000
     12      16.8154      0.00000

 k-point   567 :       0.4615   -0.3846    0.4615
  band No.  band energies     occupation 
      1       1.0141      2.00000
      2       1.7309      2.00000
      3       1.9124      2.00000
      4       2.8103      2.00000
      5       3.0561      2.00000
      6       3.9217      2.00000
      7       4.3669      2.00000
      8       7.6383      0.00000
      9      15.8703      0.00000
     10      16.4478      0.00000
     11      16.5834      0.00000
     12      16.9671      0.00000

 k-point   568 :       0.0000   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2402      2.00000
      2      -0.0405      2.00000
      3       2.1037      2.00000
      4       3.8588      2.00000
      5       6.7778      0.01138
      6       7.7399      0.00000
      7       8.4641      0.00000
      8       9.6985      0.00000
      9       9.8914      0.00000
     10      11.6203      0.00000
     11      11.6245      0.00000
     12      12.7659      0.00000

 k-point   569 :       0.0769   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1877      2.00000
      2       0.0060      2.00000
      3       2.1520      2.00000
      4       3.8760      2.00000
      5       6.1125      1.63227
      6       7.2148      0.00014
      7       9.2044      0.00000
      8       9.2739      0.00000
      9      10.2870      0.00000
     10      11.2105      0.00000
     11      12.3384      0.00000
     12      12.8251      0.00000

 k-point   570 :       0.1538   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0305      2.00000
      2       0.1445      2.00000
      3       2.2956      2.00000
      4       3.9112      2.00000
      5       5.0680      1.99999
      6       6.3281      0.67872
      7       8.2629      0.00000
      8      10.1994      0.00000
      9      10.6009      0.00000
     10      11.6225      0.00000
     11      12.9449      0.00000
     12      13.5908      0.00000

 k-point   571 :       0.2308   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.7695      2.00000
      2       0.3703      2.00000
      3       2.5297      2.00000
      4       3.8052      2.00000
      5       4.1653      2.00000
      6       5.5110      1.99890
      7       7.2897      0.00007
      8       9.4948      0.00000
      9      12.0483      0.00000
     10      12.8416      0.00000
     11      13.1994      0.00000
     12      14.8565      0.00000

 k-point   572 :       0.3077   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.4074      2.00000
      2       0.6722      2.00000
      3       2.8277      2.00000
      4       3.0227      2.00000
      5       3.8540      2.00000
      6       4.9877      1.99999
      7       6.4028      0.39144
      8       8.8375      0.00000
      9      13.5076      0.00000
     10      13.6040      0.00000
     11      14.0002      0.00000
     12      15.4794      0.00000

 k-point   573 :       0.3846   -0.3077    0.4615
  band No.  band energies     occupation 
      1       0.0484      2.00000
      2       1.0193      2.00000
      3       2.1667      2.00000
      4       3.0996      2.00000
      5       3.5363      2.00000
      6       4.8445      2.00000
      7       5.6547      1.99538
      8       8.3373      0.00000
      9      13.9261      0.00000
     10      14.7036      0.00000
     11      15.1816      0.00000
     12      15.7272      0.00000

 k-point   574 :       0.4615   -0.3077    0.4615
  band No.  band energies     occupation 
      1       0.5505      2.00000
      2       1.3049      2.00000
      3       1.4750      2.00000
      4       2.8815      2.00000
      5       3.7216      2.00000
      6       4.7497      2.00000
      7       5.2125      1.99994
      8       8.0603      0.00000
      9      14.3842      0.00000
     10      15.0111      0.00000
     11      15.1754      0.00000
     12      16.5375      0.00000

 k-point   575 :       0.0000   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6118      2.00000
      2      -0.2839      2.00000
      3       3.0151      2.00000
      4       4.6850      2.00000
      5       6.4331      0.30472
      6       7.4287      0.00002
      7       8.1100      0.00000
      8       9.4273      0.00000
      9      10.7925      0.00000
     10      11.2123      0.00000
     11      12.3701      0.00000
     12      12.5891      0.00000

 k-point   576 :       0.0769   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.5592      2.00000
      2      -0.2393      2.00000
      3       3.0622      2.00000
      4       4.6791      2.00000
      5       5.7784      1.98416
      6       6.9537      0.00197
      7       8.8802      0.00000
      8       9.9203      0.00000
      9      10.2109      0.00000
     10      11.2717      0.00000
     11      11.9653      0.00000
     12      12.9810      0.00000

 k-point   577 :       0.1538   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4017      2.00000
      2      -0.1068      2.00000
      3       3.2011      2.00000
      4       4.4955      2.00000
      5       4.8777      2.00000
      6       6.2048      1.27610
      7       9.1330      0.00000
      8      10.1983      0.00000
      9      10.9077      0.00000
     10      11.2251      0.00000
     11      11.4360      0.00000
     12      13.4801      0.00000

 k-point   578 :       0.2308   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.1404      2.00000
      2       0.1083      2.00000
      3       3.4099      2.00000
      4       3.6185      2.00000
      5       4.4893      2.00000
      6       5.7332      1.98989
      7       8.1613      0.00000
      8      10.2229      0.00000
      9      11.6041      0.00000
     10      11.7568      0.00000
     11      12.1080      0.00000
     12      14.0037      0.00000

 k-point   579 :       0.3077   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.7779      2.00000
      2       0.3931      2.00000
      3       2.6633      2.00000
      4       3.5919      2.00000
      5       4.0705      2.00000
      6       5.6814      1.99397
      7       7.2753      0.00008
      8       9.5102      0.00000
      9      11.9889      0.00000
     10      12.8438      0.00000
     11      13.2722      0.00000
     12      14.8872      0.00000

 k-point   580 :       0.3846   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.3222      2.00000
      2       0.7131      2.00000
      3       1.8143      2.00000
      4       3.1917      2.00000
      5       4.2666      2.00000
      6       5.7727      1.98504
      7       6.5335      0.12359
      8       8.9488      0.00000
      9      12.4131      0.00000
     10      13.2925      0.00000
     11      14.3143      0.00000
     12      14.8564      0.00000

 k-point   581 :       0.4615   -0.2308    0.4615
  band No.  band energies     occupation 
      1       0.1768      2.00000
      2       0.9576      2.00000
      3       1.1291      2.00000
      4       2.8009      2.00000
      5       4.6325      2.00000
      6       5.6823      1.99392
      7       6.1646      1.44966
      8       8.6249      0.00000
      9      12.8808      0.00000
     10      13.5222      0.00000
     11      13.6996      0.00000
     12      15.7628      0.00000

 k-point   582 :       0.0000   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8827      2.00000
      2      -0.4700      2.00000
      3       4.0182      2.00000
      4       5.5915      1.99754
      5       6.1792      1.38960
      6       7.2054      0.00016
      7       7.8557      0.00000
      8       8.9614      0.00000
      9       9.7613      0.00000
     10      11.8014      0.00000
     11      11.9543      0.00000
     12      13.2739      0.00000

 k-point   583 :       0.0769   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8301      2.00000
      2      -0.4265      2.00000
      3       4.0629      2.00000
      4       5.3592      1.99976
      5       5.7135      1.99170
      6       6.7810      0.01103
      7       8.6205      0.00000
      8       9.4692      0.00000
      9       9.8143      0.00000
     10      11.1087      0.00000
     11      12.0319      0.00000
     12      13.1973      0.00000

 k-point   584 :       0.1538   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.6724      2.00000
      2      -0.2976      2.00000
      3       4.1818      2.00000
      4       4.3981      2.00000
      5       5.3116      1.99985
      6       6.3657      0.52153
      7       9.8077      0.00000
      8      10.0540      0.00000
      9      10.1375      0.00000
     10      10.3507      0.00000
     11      11.7721      0.00000
     12      12.9412      0.00000

 k-point   585 :       0.2308   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4110      2.00000
      2      -0.0889      2.00000
      3       3.3615      2.00000
      4       4.2830      2.00000
      5       4.7496      2.00000
      6       6.3829      0.45803
      7       9.1151      0.00000
      8      10.1928      0.00000
      9      10.8611      0.00000
     10      11.2045      0.00000
     11      11.5238      0.00000
     12      13.5038      0.00000

 k-point   586 :       0.3077   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.0485      2.00000
      2       0.1857      2.00000
      3       2.4099      2.00000
      4       3.7483      2.00000
      5       4.8640      2.00000
      6       6.5750      0.08333
      7       8.2317      0.00000
      8      10.2450      0.00000
      9      10.5400      0.00000
     10      11.6132      0.00000
     11      13.0230      0.00000
     12      13.6951      0.00000

 k-point   587 :       0.3846   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.5935      2.00000
      2       0.4896      2.00000
      3       1.5583      2.00000
      4       3.1293      2.00000
      5       5.2442      1.99992
      6       6.7869      0.01040
      7       7.4896      0.00001
      8       9.6424      0.00000
      9      10.9698      0.00000
     10      11.9143      0.00000
     11      12.9196      0.00000
     12      14.6048      0.00000

 k-point   588 :       0.4615   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.0987      2.00000
      2       0.7067      2.00000
      3       0.8847      2.00000
      4       2.7242      2.00000
      5       5.6359      1.99617
      6       6.6956      0.02571
      7       7.1890      0.00019
      8       9.2667      0.00000
      9      11.4501      0.00000
     10      12.0790      0.00000
     11      12.2695      0.00000
     12      14.5922      0.00000

 k-point   589 :       0.0000   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0504      2.00000
      2      -0.5797      2.00000
      3       5.0693      1.99999
      4       6.0194      1.83689
      5       6.4892      0.18604
      6       7.0785      0.00057
      7       7.6708      0.00000
      8       8.2709      0.00000
      9       8.4987      0.00000
     10      11.4455      0.00000
     11      12.9080      0.00000
     12      13.9712      0.00000

 k-point   590 :       0.0769   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.9978      2.00000
      2      -0.5368      2.00000
      3       5.1044      1.99998
      4       5.3145      1.99985
      5       6.2775      0.92013
      6       6.8485      0.00563
      7       8.2920      0.00000
      8       8.6417      0.00000
      9       8.8129      0.00000
     10      11.5523      0.00000
     11      12.2262      0.00000
     12      14.0580      0.00000

 k-point   591 :       0.1538   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8402      2.00000
      2      -0.4098      2.00000
      3       4.2432      2.00000
      4       5.1542      1.99997
      5       5.5433      1.99848
      6       6.9455      0.00214
      7       8.6237      0.00000
      8       9.4232      0.00000
      9       9.8807      0.00000
     10      11.0991      0.00000
     11      12.0784      0.00000
     12      13.1342      0.00000

 k-point   592 :       0.2308   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.5789      2.00000
      2      -0.2045      2.00000
      3       3.2083      2.00000
      4       4.5020      2.00000
      5       5.5632      1.99815
      6       7.1641      0.00024
      7       8.8855      0.00000
      8       9.8937      0.00000
      9      10.2079      0.00000
     10      11.3051      0.00000
     11      11.9548      0.00000
     12      13.1362      0.00000

 k-point   593 :       0.3077   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2168      2.00000
      2       0.0646      2.00000
      3       2.2533      2.00000
      4       3.7278      2.00000
      5       5.8771      1.95808
      6       7.4587      0.00001
      7       9.1337      0.00000
      8       9.3251      0.00000
      9      10.2854      0.00000
     10      11.1807      0.00000
     11      12.4454      0.00000
     12      12.8951      0.00000

 k-point   594 :       0.3846   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.7631      2.00000
      2       0.3598      2.00000
      3       1.4024      2.00000
      4       3.0812      2.00000
      5       6.2788      0.91387
      6       7.7804      0.00000
      7       8.4480      0.00000
      8       9.6954      0.00000
      9      10.2096      0.00000
     10      10.7545      0.00000
     11      11.6697      0.00000
     12      13.8362      0.00000

 k-point   595 :       0.4615   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.2730      2.00000
      2       0.5562      2.00000
      3       0.7447      2.00000
      4       2.6749      2.00000
      5       6.6840      0.02884
      6       7.7449      0.00000
      7       8.1779      0.00000
      8       9.8246      0.00000
      9      10.2017      0.00000
     10      10.7672      0.00000
     11      10.9907      0.00000
     12      13.6973      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000  -0.000
  5.264  22.371  -0.000  -0.000  -0.000
 -0.000  -0.000  -0.285   0.000  -0.000
 -0.000  -0.000   0.000  -0.285   0.000
 -0.000  -0.000  -0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.081  -0.022   0.000   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.094  -0.006   0.000
  0.000   0.000  -0.006   0.094   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.2868: real time    0.2868
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.5864: real time    0.5864
    STRESS:  cpu time    7.1521: real time    7.1588
    FORCOR:  cpu time    0.0495: real time    0.0495
    FORHAR:  cpu time    0.0129: real time    0.0129
    MIXING:  cpu time    0.0058: real time    0.0058
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.46749   -72.19435   -72.35000    -0.00000    -1.91784    -0.00000
  Hartree     1.13385     1.12329     1.14399    -0.00000     0.06837    -0.00000
  E(xc)     -27.42501   -27.43445   -27.42840     0.00006     0.06582     0.00001
  Local      -3.92736    -4.14658    -4.01127    -0.00000     1.74375    -0.00000
  n-local    58.92573    59.02834    58.96203     0.05154    -0.70640     0.24219
  augment    -3.03573    -3.03905    -3.03631    -0.00000     0.03415    -0.00000
  Kinetic    46.92828    46.88463    46.90496    -0.07677    -0.13082    -3.57279
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.01904     0.10859     0.07176     0.00000    -0.84296     0.00000
  in kB       0.46743     2.66532     1.76141     0.00000   -20.69045     0.00000
  external pressure =        1.63 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.201341607     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000 -0.012416708  0.248334166

  length of vectors
     4.025488200  4.031862538  4.026832140     0.248417074  0.248334166  0.248644390


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.990E-16 0.111E-15 -.185E-15   -.444E-15 0.518E-17 -.176E-15   -.974E-27 0.812E-26 -.417E-26   0.751E-16 -.951E-17 -.207E-17
   -.237E-14 -.398E-13 0.149E-13   0.694E-16 0.934E-15 -.448E-15   -.640E-26 0.355E-26 -.178E-26   -.583E-15 0.111E-15 -.564E-17
   -.196E-14 -.125E-13 -.922E-13   -.199E-15 -.104E-14 0.384E-15   0.568E-26 -.527E-25 0.603E-25   -.563E-15 -.939E-16 0.233E-16
   0.207E-14 -.310E-14 -.422E-14   0.429E-15 0.139E-15 0.230E-15   0.238E-26 0.196E-25 -.538E-26   0.612E-15 0.704E-16 0.193E-16
 -----------------------------------------------------------------------------------------------
   -.215E-14 -.554E-13 -.817E-13   -.144E-15 0.336E-16 -.115E-16   0.686E-27 -.214E-25 0.490E-25   -.459E-15 0.783E-16 0.349E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000     -0.000000
      2.01274      2.01342      0.10067        -0.000000      0.000000     -0.000000
      2.01274      0.00000      2.01342         0.000000      0.000000      0.000000
      0.00000      2.01342      2.11409         0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.53197308 eV

  energy  without entropy=      -13.48945555  energy(sigma->0) =      -13.51071432
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.2053395E-04-0.205E-04
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.6246157E-04-0.625E-04


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0559: real time    0.0559


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   5/ 13
  Displacement:        1/  2
  Total:               9/ 26
  LATTYP: Found a simple monoclinic cell.
 ALAT       =     5.5542555672
 B/A-ratio  =     0.7247574678
 C/A-ratio  =     1.5900478922
 COS(beta)  =    -0.9437810254
  
  Lattice vectors:
  
 A1 = (   0.0000000000,  -4.0268321403,  -3.8254905333)
 A2 = (  -4.0254882003,   0.0000000000,   0.0000000000)
 A3 = (   0.0000000000,   8.0536642805,   3.6241489262)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    595 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.000000  0.000000  0.076923      2.000000
  0.076923  0.000000  0.076923      4.000000
  0.153846  0.000000  0.076923      4.000000
  0.230769  0.000000  0.076923      4.000000
  0.307692  0.000000  0.076923      4.000000
  0.384615  0.000000  0.076923      4.000000
  0.461538  0.000000  0.076923      4.000000
  0.000000  0.076923  0.076923      2.000000
  0.076923  0.076923  0.076923      4.000000
  0.153846  0.076923  0.076923      4.000000
  0.230769  0.076923  0.076923      4.000000
  0.307692  0.076923  0.076923      4.000000
  0.384615  0.076923  0.076923      4.000000
  0.461538  0.076923  0.076923      4.000000
  0.000000  0.153846  0.076923      2.000000
  0.076923  0.153846  0.076923      4.000000
  0.153846  0.153846  0.076923      4.000000
  0.230769  0.153846  0.076923      4.000000
  0.307692  0.153846  0.076923      4.000000
  0.384615  0.153846  0.076923      4.000000
  0.461538  0.153846  0.076923      4.000000
  0.000000  0.230769  0.076923      2.000000
  0.076923  0.230769  0.076923      4.000000
  0.153846  0.230769  0.076923      4.000000
  0.230769  0.230769  0.076923      4.000000
  0.307692  0.230769  0.076923      4.000000
  0.384615  0.230769  0.076923      4.000000
  0.461538  0.230769  0.076923      4.000000
  0.000000  0.307692  0.076923      2.000000
  0.076923  0.307692  0.076923      4.000000
  0.153846  0.307692  0.076923      4.000000
  0.230769  0.307692  0.076923      4.000000
  0.307692  0.307692  0.076923      4.000000
  0.384615  0.307692  0.076923      4.000000
  0.461538  0.307692  0.076923      4.000000
  0.000000  0.384615  0.076923      2.000000
  0.076923  0.384615  0.076923      4.000000
  0.153846  0.384615  0.076923      4.000000
  0.230769  0.384615  0.076923      4.000000
  0.307692  0.384615  0.076923      4.000000
  0.384615  0.384615  0.076923      4.000000
  0.461538  0.384615  0.076923      4.000000
  0.000000  0.461538  0.076923      2.000000
  0.076923  0.461538  0.076923      4.000000
  0.153846  0.461538  0.076923      4.000000
  0.230769  0.461538  0.076923      4.000000
  0.307692  0.461538  0.076923      4.000000
  0.384615  0.461538  0.076923      4.000000
  0.461538  0.461538  0.076923      4.000000
  0.000000 -0.461538  0.076923      2.000000
  0.076923 -0.461538  0.076923      4.000000
  0.153846 -0.461538  0.076923      4.000000
  0.230769 -0.461538  0.076923      4.000000
  0.307692 -0.461538  0.076923      4.000000
  0.384615 -0.461538  0.076923      4.000000
  0.461538 -0.461538  0.076923      4.000000
  0.000000 -0.384615  0.076923      2.000000
  0.076923 -0.384615  0.076923      4.000000
  0.153846 -0.384615  0.076923      4.000000
  0.230769 -0.384615  0.076923      4.000000
  0.307692 -0.384615  0.076923      4.000000
  0.384615 -0.384615  0.076923      4.000000
  0.461538 -0.384615  0.076923      4.000000
  0.000000 -0.307692  0.076923      2.000000
  0.076923 -0.307692  0.076923      4.000000
  0.153846 -0.307692  0.076923      4.000000
  0.230769 -0.307692  0.076923      4.000000
  0.307692 -0.307692  0.076923      4.000000
  0.384615 -0.307692  0.076923      4.000000
  0.461538 -0.307692  0.076923      4.000000
  0.000000 -0.230769  0.076923      2.000000
  0.076923 -0.230769  0.076923      4.000000
  0.153846 -0.230769  0.076923      4.000000
  0.230769 -0.230769  0.076923      4.000000
  0.307692 -0.230769  0.076923      4.000000
  0.384615 -0.230769  0.076923      4.000000
  0.461538 -0.230769  0.076923      4.000000
  0.000000 -0.153846  0.076923      2.000000
  0.076923 -0.153846  0.076923      4.000000
  0.153846 -0.153846  0.076923      4.000000
  0.230769 -0.153846  0.076923      4.000000
  0.307692 -0.153846  0.076923      4.000000
  0.384615 -0.153846  0.076923      4.000000
  0.461538 -0.153846  0.076923      4.000000
  0.000000 -0.076923  0.076923      2.000000
  0.076923 -0.076923  0.076923      4.000000
  0.153846 -0.076923  0.076923      4.000000
  0.230769 -0.076923  0.076923      4.000000
  0.307692 -0.076923  0.076923      4.000000
  0.384615 -0.076923  0.076923      4.000000
  0.461538 -0.076923  0.076923      4.000000
  0.000000  0.000000  0.153846      2.000000
  0.076923  0.000000  0.153846      4.000000
  0.153846  0.000000  0.153846      4.000000
  0.230769  0.000000  0.153846      4.000000
  0.307692  0.000000  0.153846      4.000000
  0.384615  0.000000  0.153846      4.000000
  0.461538  0.000000  0.153846      4.000000
  0.000000  0.076923  0.153846      2.000000
  0.076923  0.076923  0.153846      4.000000
  0.153846  0.076923  0.153846      4.000000
  0.230769  0.076923  0.153846      4.000000
  0.307692  0.076923  0.153846      4.000000
  0.384615  0.076923  0.153846      4.000000
  0.461538  0.076923  0.153846      4.000000
  0.000000  0.153846  0.153846      2.000000
  0.076923  0.153846  0.153846      4.000000
  0.153846  0.153846  0.153846      4.000000
  0.230769  0.153846  0.153846      4.000000
  0.307692  0.153846  0.153846      4.000000
  0.384615  0.153846  0.153846      4.000000
  0.461538  0.153846  0.153846      4.000000
  0.000000  0.230769  0.153846      2.000000
  0.076923  0.230769  0.153846      4.000000
  0.153846  0.230769  0.153846      4.000000
  0.230769  0.230769  0.153846      4.000000
  0.307692  0.230769  0.153846      4.000000
  0.384615  0.230769  0.153846      4.000000
  0.461538  0.230769  0.153846      4.000000
  0.000000  0.307692  0.153846      2.000000
  0.076923  0.307692  0.153846      4.000000
  0.153846  0.307692  0.153846      4.000000
  0.230769  0.307692  0.153846      4.000000
  0.307692  0.307692  0.153846      4.000000
  0.384615  0.307692  0.153846      4.000000
  0.461538  0.307692  0.153846      4.000000
  0.000000  0.384615  0.153846      2.000000
  0.076923  0.384615  0.153846      4.000000
  0.153846  0.384615  0.153846      4.000000
  0.230769  0.384615  0.153846      4.000000
  0.307692  0.384615  0.153846      4.000000
  0.384615  0.384615  0.153846      4.000000
  0.461538  0.384615  0.153846      4.000000
  0.000000  0.461538  0.153846      2.000000
  0.076923  0.461538  0.153846      4.000000
  0.153846  0.461538  0.153846      4.000000
  0.230769  0.461538  0.153846      4.000000
  0.307692  0.461538  0.153846      4.000000
  0.384615  0.461538  0.153846      4.000000
  0.461538  0.461538  0.153846      4.000000
  0.000000 -0.461538  0.153846      2.000000
  0.076923 -0.461538  0.153846      4.000000
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    WAVPRE:  cpu time    0.6764: real time    1.0927
    FEWALD:  cpu time    0.0029: real time    0.0029
    GENKIN:  cpu time    0.1470: real time    0.1470
    ORTHCH:  cpu time    3.8396: real time    3.8399
     LOOP+:  cpu time  271.1099: real time  271.6659


--------------------------------------- Iteration     11(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0497: real time    0.0505
    SETDIJ:  cpu time    0.0040: real time    0.0040
     EDDAV:  cpu time   43.3674: real time   43.4027
       DOS:  cpu time    0.0180: real time    0.0180
    CHARGE:  cpu time    0.2844: real time    0.2845
    MIXING:  cpu time    0.0030: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time   43.7266: real time   43.7627

 eigenvalue-minimisations  : 17500
 total energy-change (2. order) :-0.2028581E-01  (-0.1586492E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1066252 magnetization 

 Broyden mixing:
  rms(total) = 0.80095E-01    rms(broyden)= 0.80095E-01
  rms(prec ) = 0.22119E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.39828842
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80313741
  PAW double counting   =       429.52679396     -328.18089875
  entropy T*S    EENTRO =        -0.04291698
  eigenvalues    EBANDS =        22.55566330
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55225915 eV

  energy without entropy =      -13.50934216  energy(sigma->0) =      -13.53080065


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0483: real time    0.0487
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   41.3414: real time   41.3615
       DOS:  cpu time    0.0190: real time    0.0190
    CHARGE:  cpu time    0.2837: real time    0.2837
    MIXING:  cpu time    0.0055: real time    0.0055
    --------------------------------------------
      LOOP:  cpu time   41.7010: real time   41.7215

 eigenvalue-minimisations  : 16220
 total energy-change (2. order) : 0.1253542E-01  (-0.4338307E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1061892 magnetization 

 Broyden mixing:
  rms(total) = 0.48284E-01    rms(broyden)= 0.48284E-01
  rms(prec ) = 0.13222E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4312
  2.4312

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.38924862
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80460789
  PAW double counting   =       427.62859534     -326.28331408
  entropy T*S    EENTRO =        -0.04272472
  eigenvalues    EBANDS =        22.56105108
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53972372 eV

  energy without entropy =      -13.49699901  energy(sigma->0) =      -13.51836136


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0540: real time    0.0543
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   41.8105: real time   41.8303
       DOS:  cpu time    0.0207: real time    0.0207
    CHARGE:  cpu time    0.2832: real time    0.2832
    MIXING:  cpu time    0.0054: real time    0.0054
    --------------------------------------------
      LOOP:  cpu time   42.1776: real time   42.1978

 eigenvalue-minimisations  : 16988
 total energy-change (2. order) : 0.7729504E-02  (-0.1669807E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060557 magnetization 

 Broyden mixing:
  rms(total) = 0.43969E-02    rms(broyden)= 0.43969E-02
  rms(prec ) = 0.12972E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7688
  1.1954  2.3422

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.40298953
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80099748
  PAW double counting   =       428.29185696     -326.94659035
  entropy T*S    EENTRO =        -0.04249071
  eigenvalues    EBANDS =        22.57869173
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53199422 eV

  energy without entropy =      -13.48950351  energy(sigma->0) =      -13.51074886


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0502: real time    0.0506
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   41.1065: real time   41.1240
       DOS:  cpu time    0.0173: real time    0.0173
    CHARGE:  cpu time    0.2846: real time    0.2847
    MIXING:  cpu time    0.0045: real time    0.0045
    --------------------------------------------
      LOOP:  cpu time   41.4669: real time   41.4848

 eigenvalue-minimisations  : 16676
 total energy-change (2. order) : 0.2097860E-04  (-0.7974482E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060600 magnetization 

 Broyden mixing:
  rms(total) = 0.25835E-02    rms(broyden)= 0.25835E-02
  rms(prec ) = 0.59492E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7713
  0.9300  2.3345  2.0494

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.40048783
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80138176
  PAW double counting   =       428.77908140     -327.43343760
  entropy T*S    EENTRO =        -0.04251428
  eigenvalues    EBANDS =        22.57624167
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53197324 eV

  energy without entropy =      -13.48945896  energy(sigma->0) =      -13.51071610


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0488: real time    0.0491
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   41.9966: real time   42.0126
       DOS:  cpu time    0.0212: real time    0.0212
    --------------------------------------------
      LOOP:  cpu time   42.0699: real time   42.0862

 eigenvalue-minimisations  : 17724
 total energy-change (2. order) : 0.7750812E-06  (-0.2281152E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060600 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01171226
  -Hartree energ DENC   =        -3.40098625
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80119239
  PAW double counting   =       429.27658803     -327.93070566
  entropy T*S    EENTRO =        -0.04251741
  eigenvalues    EBANDS =        22.57631607
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53197246 eV

  energy without entropy =      -13.48945505  energy(sigma->0) =      -13.51071376


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2434       2 -74.2384       3 -74.2398       4 -74.2410
 
 
 
 E-fermi :   6.2615     XC(G=0):  -9.5660     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6253      2.00000
      2       4.2561      2.00000
      3       4.3329      2.00000
      4       4.4071      2.00000
      5       5.5481      1.99841
      6       5.5661      1.99809
      7       7.6089      0.00000
      8      11.8848      0.00000
      9      12.5258      0.00000
     10      12.6902      0.00000
     11      12.7432      0.00000
     12      12.8210      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5759      2.00000
      2       3.6446      2.00000
      3       4.3043      2.00000
      4       4.4568      2.00000
      5       5.6135      1.99694
      6       6.1594      1.47029
      7       7.8082      0.00000
      8      11.4539      0.00000
      9      11.6542      0.00000
     10      12.1829      0.00000
     11      12.2442      0.00000
     12      12.7258      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4288      2.00000
      2       2.6154      2.00000
      3       4.4482      2.00000
      4       4.6058      2.00000
      5       5.7720      1.98514
      6       6.7663      0.01276
      7       8.5772      0.00000
      8      10.4130      0.00000
      9      10.5139      0.00000
     10      11.4190      0.00000
     11      12.3060      0.00000
     12      12.7091      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1871      2.00000
      2       1.6217      2.00000
      3       4.6858      2.00000
      4       4.8535      2.00000
      5       6.0350      1.81187
      6       7.0530      0.00073
      7       9.3952      0.00000
      8       9.4666      0.00000
      9       9.8457      0.00000
     10      10.5385      0.00000
     11      12.3094      0.00000
     12      13.1569      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7174      2.00000
      3       5.0110      1.99999
      4       5.1982      1.99995
      5       6.4007      0.39800
      6       7.2294      0.00013
      7       8.4754      0.00000
      8       8.5204      0.00000
      9       9.6654      0.00000
     10      11.2302      0.00000
     11      12.0102      0.00000
     12      12.8483      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4694      2.00000
      2      -0.0601      2.00000
      3       5.4043      1.99962
      4       5.6340      1.99624
      5       6.8661      0.00472
      6       7.3566      0.00004
      7       7.6745      0.00000
      8       7.6922      0.00000
      9       8.8477      0.00000
     10      11.4191      0.00000
     11      13.1395      0.00000
     12      13.7761      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1185      2.00000
      2      -0.6059      2.00000
      3       5.7752      1.98466
      4       6.1179      1.61562
      5       6.9952      0.00130
      6       7.1162      0.00039
      7       7.4151      0.00002
      8       7.4329      0.00002
      9       8.1143      0.00000
     10      11.2678      0.00000
     11      13.6611      0.00000
     12      14.0301      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6298      2.00000
      3       4.3820      2.00000
      4       4.3943      2.00000
      5       5.6167      1.99684
      6       6.1576      1.47741
      7       7.8050      0.00000
      8      11.1983      0.00000
      9      11.5744      0.00000
     10      12.3811      0.00000
     11      12.8675      0.00000
     12      13.0175      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5266      2.00000
      2       3.5597      2.00000
      3       3.8325      2.00000
      4       4.4453      2.00000
      5       5.9503      1.91477
      6       6.5033      0.16366
      7       7.9581      0.00000
      8      10.8015      0.00000
      9      11.2807      0.00000
     10      11.7569      0.00000
     11      12.4928      0.00000
     12      12.9042      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3794      2.00000
      2       2.6477      2.00000
      3       3.8686      2.00000
      4       4.5921      2.00000
      5       6.1609      1.46438
      6       7.1324      0.00033
      7       8.6252      0.00000
      8       9.8220      0.00000
      9      10.5152      0.00000
     10      11.4709      0.00000
     11      11.8773      0.00000
     12      13.0503      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1374      2.00000
      2       1.6628      2.00000
      3       4.1018      2.00000
      4       4.8354      2.00000
      5       6.4053      0.38355
      6       7.4358      0.00002
      7       8.8229      0.00000
      8       9.4877      0.00000
      9       9.9093      0.00000
     10      10.9759      0.00000
     11      11.7256      0.00000
     12      12.5876      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7608      2.00000
      3       4.4289      2.00000
      4       5.1717      1.99996
      5       6.6948      0.02590
      6       7.5801      0.00000
      7       8.0387      0.00000
      8       8.5620      0.00000
      9      10.1298      0.00000
     10      11.3440      0.00000
     11      11.9150      0.00000
     12      12.2920      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0163      2.00000
      3       4.8287      2.00000
      4       5.5888      1.99761
      5       6.7619      0.01333
      6       7.4581      0.00001
      7       7.7023      0.00000
      8       7.9323      0.00000
      9       9.3537      0.00000
     10      11.5965      0.00000
     11      12.4466      0.00000
     12      13.1217      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5633      2.00000
      3       5.2180      1.99994
      4       6.0216      1.83355
      5       6.3456      0.60274
      6       7.1022      0.00045
      7       7.6415      0.00000
      8       8.1293      0.00000
      9       8.6805      0.00000
     10      11.4339      0.00000
     11      12.7784      0.00000
     12      14.2674      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4290      2.00000
      2       2.6063      2.00000
      3       4.5286      2.00000
      4       4.5308      2.00000
      5       5.7793      1.98402
      6       6.7683      0.01251
      7       8.5646      0.00000
      8      10.1897      0.00000
      9      10.4578      0.00000
     10      11.6019      0.00000
     11      12.8796      0.00000
     12      12.9647      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3796      2.00000
      2       2.6390      2.00000
      3       3.8832      2.00000
      4       4.5829      2.00000
      5       6.1660      1.44402
      6       7.1363      0.00032
      7       8.6146      0.00000
      8       9.7930      0.00000
      9      10.3058      0.00000
     10      11.8235      0.00000
     11      12.0110      0.00000
     12      12.9079      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2319      2.00000
      2       2.5789      2.00000
      3       3.0685      2.00000
      4       4.7293      2.00000
      5       6.4306      0.31126
      6       8.0448      0.00000
      7       8.6516      0.00000
      8       9.1465      0.00000
      9      10.3718      0.00000
     10      10.7575      0.00000
     11      12.0071      0.00000
     12      12.7207      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9892      2.00000
      2       1.7721      2.00000
      3       3.1201      2.00000
      4       4.9718      1.99999
      5       6.5869      0.07435
      6       7.9187      0.00000
      7       8.5820      0.00000
      8       9.6213      0.00000
      9      10.0421      0.00000
     10      10.6611      0.00000
     11      11.4447      0.00000
     12      12.8065      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6594      2.00000
      2       0.8875      2.00000
      3       3.4224      2.00000
      4       5.3062      1.99986
      5       6.4660      0.22905
      6       7.4853      0.00001
      7       8.6112      0.00000
      8       8.9038      0.00000
      9      10.6170      0.00000
     10      11.0443      0.00000
     11      11.5359      0.00000
     12      12.6319      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2663      2.00000
      2       0.1131      2.00000
      3       3.8055      2.00000
      4       5.7085      1.99210
      5       5.9303      1.92964
      6       7.6073      0.00000
      7       7.8619      0.00000
      8       8.9798      0.00000
      9      10.1195      0.00000
     10      11.3720      0.00000
     11      12.2510      0.00000
     12      12.9386      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9087      2.00000
      2      -0.4371      2.00000
      3       4.1717      2.00000
      4       5.4010      1.99963
      5       6.1531      1.49434
      6       7.2420      0.00011
      7       7.8328      0.00000
      8       8.9799      0.00000
      9       9.8279      0.00000
     10      11.7059      0.00000
     11      11.9843      0.00000
     12      13.2372      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1875      2.00000
      2       1.6147      2.00000
      3       4.7626      2.00000
      4       4.7718      2.00000
      5       6.0482      1.78811
      6       7.0555      0.00071
      7       9.2040      0.00000
      8       9.4222      0.00000
      9       9.8423      0.00000
     10      10.7008      0.00000
     11      12.3899      0.00000
     12      13.1392      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1378      2.00000
      2       1.6559      2.00000
      3       4.1170      2.00000
      4       4.8166      2.00000
      5       6.4157      0.35249
      6       7.4420      0.00001
      7       8.7963      0.00000
      8       9.3024      0.00000
      9       9.9201      0.00000
     10      11.1247      0.00000
     11      12.0632      0.00000
     12      12.5582      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9895      2.00000
      2       1.7659      2.00000
      3       3.1284      2.00000
      4       4.9628      2.00000
      5       6.5916      0.07104
      6       7.9133      0.00000
      7       8.5963      0.00000
      8       9.4316      0.00000
      9      10.0397      0.00000
     10      10.9327      0.00000
     11      11.5203      0.00000
     12      12.6646      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7454      2.00000
      2       1.7582      2.00000
      3       2.3742      2.00000
      4       5.2048      1.99995
      5       6.3679      0.51297
      6       7.4790      0.00001
      7       9.5881      0.00000
      8       9.7017      0.00000
      9       9.9772      0.00000
     10      10.4023      0.00000
     11      11.4403      0.00000
     12      12.5113      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4130      2.00000
      2       1.0756      2.00000
      3       2.4634      2.00000
      4       5.5341      1.99861
      5       5.7189      1.99124
      6       7.5718      0.00000
      7       8.8962      0.00000
      8       9.9496      0.00000
      9      10.1119      0.00000
     10      11.1641      0.00000
     11      11.4959      0.00000
     12      12.7124      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0151      2.00000
      2       0.3206      2.00000
      3       2.8071      2.00000
      4       5.0223      1.99999
      5       5.9560      1.90999
      6       7.8424      0.00000
      7       8.1014      0.00000
      8       9.7836      0.00000
      9      10.4173      0.00000
     10      11.1371      0.00000
     11      12.3284      0.00000
     12      12.7418      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6479      2.00000
      2      -0.2333      2.00000
      3       3.1395      2.00000
      4       4.5136      2.00000
      5       6.3769      0.47959
      6       7.4765      0.00001
      7       8.1046      0.00000
      8       9.4833      0.00000
      9      10.7520      0.00000
     10      11.2492      0.00000
     11      12.1910      0.00000
     12      12.6837      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8598      2.00000
      2       0.7117      2.00000
      3       5.0847      1.99998
      4       5.1077      1.99998
      5       6.4189      0.34333
      6       7.2266      0.00013
      7       8.3324      0.00000
      8       8.4879      0.00000
      9       9.8056      0.00000
     10      11.2363      0.00000
     11      12.0429      0.00000
     12      13.4007      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8096      2.00000
      2       0.7553      2.00000
      3       4.4451      2.00000
      4       5.1404      1.99997
      5       6.7081      0.02273
      6       7.5892      0.00000
      7       7.9808      0.00000
      8       8.4729      0.00000
      9      10.2484      0.00000
     10      11.3277      0.00000
     11      12.1068      0.00000
     12      12.4299      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2       0.8823      2.00000
      3       3.4310      2.00000
      4       5.2863      1.99988
      5       6.4712      0.21882
      6       7.4643      0.00001
      7       8.5580      0.00000
      8       8.8656      0.00000
      9      10.7796      0.00000
     10      11.1474      0.00000
     11      11.5900      0.00000
     12      12.5548      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4134      2.00000
      2       1.0712      2.00000
      3       2.4689      2.00000
      4       5.5278      1.99870
      5       5.7148      1.99158
      6       7.5580      0.00000
      7       8.8100      0.00000
      8      10.0419      0.00000
      9      10.1946      0.00000
     10      11.2070      0.00000
     11      11.4741      0.00000
     12      12.6187      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0766      2.00000
      2       1.1329      2.00000
      3       1.7973      2.00000
      4       4.9123      2.00000
      5       5.8621      1.96381
      6       7.8254      0.00000
      7       9.0660      0.00000
      8       9.2976      0.00000
      9      10.5968      0.00000
     10      11.3693      0.00000
     11      11.9763      0.00000
     12      12.5660      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6704      2.00000
      2       0.5798      2.00000
      3       1.9108      2.00000
      4       4.2063      2.00000
      5       6.2749      0.93317
      6       8.1545      0.00000
      7       8.4239      0.00000
      8       9.5000      0.00000
      9      10.2153      0.00000
     10      11.5968      0.00000
     11      11.9604      0.00000
     12      12.5115      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2869      2.00000
      2       0.0335      2.00000
      3       2.1867      2.00000
      4       3.7190      2.00000
      5       6.6938      0.02618
      6       7.7967      0.00000
      7       8.4682      0.00000
      8       9.7237      0.00000
      9       9.9135      0.00000
     10      11.3699      0.00000
     11      11.8660      0.00000
     12      12.7943      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4706      2.00000
      2      -0.0648      2.00000
      3       5.4867      1.99914
      4       5.5240      1.99875
      5       6.8706      0.00451
      6       7.3045      0.00006
      7       7.6200      0.00000
      8       7.6716      0.00000
      9       8.9746      0.00000
     10      11.4697      0.00000
     11      13.0893      0.00000
     12      13.7228      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4196      2.00000
      2      -0.0210      2.00000
      3       4.8488      2.00000
      4       5.5426      1.99849
      5       6.7690      0.01243
      6       7.3196      0.00005
      7       7.7270      0.00000
      8       7.9617      0.00000
      9       9.4408      0.00000
     10      11.6525      0.00000
     11      12.6543      0.00000
     12      13.1712      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2673      2.00000
      2       0.1088      2.00000
      3       3.8147      2.00000
      4       5.6869      1.99363
      5       5.9201      1.93627
      6       7.4376      0.00002
      7       7.9738      0.00000
      8       8.9902      0.00000
      9      10.1938      0.00000
     10      11.5725      0.00000
     11      12.2465      0.00000
     12      12.8649      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0158      2.00000
      2       0.3167      2.00000
      3       2.8129      2.00000
      4       5.0258      1.99999
      5       5.9295      1.93022
      6       7.6784      0.00000
      7       8.2102      0.00000
      8       9.8462      0.00000
      9      10.5569      0.00000
     10      11.1652      0.00000
     11      12.1433      0.00000
     12      12.8800      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6708      2.00000
      2       0.5768      2.00000
      3       1.9145      2.00000
      4       4.2073      2.00000
      5       6.2622      0.99659
      6       8.0114      0.00000
      7       8.5153      0.00000
      8       9.6116      0.00000
      9      10.2703      0.00000
     10      11.4117      0.00000
     11      12.0751      0.00000
     12      12.5261      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2495      2.00000
      2       0.7127      2.00000
      3       1.2938      2.00000
      4       3.5187      2.00000
      5       6.6738      0.03185
      6       8.4092      0.00000
      7       8.7959      0.00000
      8       8.8961      0.00000
      9      10.2692      0.00000
     10      10.8820      0.00000
     11      11.4173      0.00000
     12      13.5933      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8352      2.00000
      2       0.3246      2.00000
      3       1.3395      2.00000
      4       3.0682      2.00000
      5       7.0924      0.00049
      6       8.1801      0.00000
      7       8.8436      0.00000
      8       9.1680      0.00000
      9       9.8679      0.00000
     10      10.6904      0.00000
     11      11.0822      0.00000
     12      13.5110      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1199      2.00000
      2      -0.6101      2.00000
      3       5.9080      1.94330
      4       5.9493      1.91560
      5       6.8402      0.00611
      6       7.0461      0.00078
      7       7.4236      0.00002
      8       7.5328      0.00001
      9       8.2495      0.00000
     10      11.3125      0.00000
     11      14.0352      0.00000
     12      14.4370      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0673      2.00000
      2      -0.5674      2.00000
      3       5.2497      1.99992
      4       5.9566      1.90945
      5       6.3470      0.59681
      6       6.8947      0.00355
      7       7.8018      0.00000
      8       8.1359      0.00000
      9       8.7397      0.00000
     10      11.4780      0.00000
     11      13.0518      0.00000
     12      13.9830      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9099      2.00000
      2      -0.4410      2.00000
      3       4.1827      2.00000
      4       5.4052      1.99962
      5       6.1082      1.64472
      6       7.0442      0.00080
      7       8.0106      0.00000
      8       9.0034      0.00000
      9       9.8525      0.00000
     10      11.8664      0.00000
     11      12.0913      0.00000
     12      13.0414      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6489      2.00000
      2      -0.2367      2.00000
      3       3.1454      2.00000
      4       4.5162      2.00000
      5       6.3466      0.59835
      6       7.2894      0.00007
      7       8.2727      0.00000
      8       9.5261      0.00000
      9      10.9164      0.00000
     10      11.2670      0.00000
     11      12.0584      0.00000
     12      12.7406      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2876      2.00000
      2       0.0307      2.00000
      3       2.1904      2.00000
      4       3.7206      2.00000
      5       6.6781      0.03056
      6       7.6247      0.00000
      7       8.6190      0.00000
      8       9.7809      0.00000
      9      10.0592      0.00000
     10      11.1451      0.00000
     11      11.9753      0.00000
     12      12.8015      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8355      2.00000
      2       0.3226      2.00000
      3       1.3417      2.00000
      4       3.0689      2.00000
      5       7.0905      0.00050
      6       8.0300      0.00000
      7       9.0379      0.00000
      8       9.1687      0.00000
      9      10.0523      0.00000
     10      10.3627      0.00000
     11      11.1980      0.00000
     12      13.4990      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3503      2.00000
      2       0.5017      2.00000
      3       0.7035      2.00000
      4       2.6626      2.00000
      5       7.5180      0.00001
      6       8.4107      0.00000
      7       8.5541      0.00000
      8       9.4538      0.00000
      9       9.7346      0.00000
     10      10.2297      0.00000
     11      10.5624      0.00000
     12      13.3904      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2       3.4614      2.00000
      3       3.8629      2.00000
      4       4.4359      2.00000
      5       5.9680      1.89907
      6       6.5502      0.10560
      7       7.9936      0.00000
      8      11.3484      0.00000
      9      11.3939      0.00000
     10      11.8570      0.00000
     11      11.8949      0.00000
     12      12.7803      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4725      2.00000
      2       3.5114      2.00000
      3       3.6192      2.00000
      4       4.0978      2.00000
      5       6.5857      0.07521
      6       6.6042      0.06294
      7       8.1099      0.00000
      8      10.6647      0.00000
      9      11.0382      0.00000
     10      11.5317      0.00000
     11      12.1048      0.00000
     12      13.0639      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3252      2.00000
      2       2.6854      2.00000
      3       3.6619      2.00000
      4       4.1617      2.00000
      5       6.7457      0.01566
      6       7.3466      0.00004
      7       8.6703      0.00000
      8       9.6313      0.00000
      9      10.1333      0.00000
     10      11.6325      0.00000
     11      12.1408      0.00000
     12      12.6030      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0829      2.00000
      2       1.7077      2.00000
      3       3.9109      2.00000
      4       4.3780      2.00000
      5       6.9774      0.00155
      6       7.6287      0.00000
      7       8.6472      0.00000
      8       9.1320      0.00000
      9      10.0082      0.00000
     10      11.4718      0.00000
     11      11.8598      0.00000
     12      12.7645      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7539      2.00000
      2       0.8081      2.00000
      3       4.2549      2.00000
      4       4.6821      2.00000
      5       7.1887      0.00019
      6       7.5772      0.00000
      7       7.8663      0.00000
      8       8.5842      0.00000
      9      10.6251      0.00000
     10      11.3865      0.00000
     11      12.0820      0.00000
     12      12.4470      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3625      2.00000
      2       0.0312      2.00000
      3       4.6822      2.00000
      4       5.0463      1.99999
      5       6.7467      0.01550
      6       7.1486      0.00028
      7       7.9415      0.00000
      8       8.4366      0.00000
      9       9.8221      0.00000
     10      11.8059      0.00000
     11      12.4480      0.00000
     12      13.2908      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0081      2.00000
      2      -0.5172      2.00000
      3       5.1277      1.99998
      4       5.3775      1.99971
      5       6.1435      1.52986
      6       6.7037      0.02373
      7       8.4361      0.00000
      8       8.4612      0.00000
      9       9.1031      0.00000
     10      11.6191      0.00000
     11      12.8408      0.00000
     12      14.0799      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3703      2.00000
      2       2.5758      2.00000
      3       3.8277      2.00000
      4       4.5873      2.00000
      5       6.1969      1.31223
      6       7.2060      0.00016
      7       8.6822      0.00000
      8      10.2929      0.00000
      9      10.4386      0.00000
     10      11.4595      0.00000
     11      11.7619      0.00000
     12      12.6547      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3208      2.00000
      2       2.6137      2.00000
      3       3.7230      2.00000
      4       4.1293      2.00000
      5       6.7775      0.01142
      6       7.3449      0.00004
      7       8.7142      0.00000
      8       9.8037      0.00000
      9      10.3309      0.00000
     10      11.1410      0.00000
     11      11.8271      0.00000
     12      13.0145      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1730      2.00000
      2       2.6046      2.00000
      3       3.0268      2.00000
      4       4.1137      2.00000
      5       7.1749      0.00022
      6       8.1157      0.00000
      7       8.6796      0.00000
      8       9.1122      0.00000
      9      10.0317      0.00000
     10      10.6889      0.00000
     11      12.0829      0.00000
     12      13.0108      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9301      2.00000
      2       1.8215      2.00000
      3       3.0778      2.00000
      4       4.3252      2.00000
      5       7.1983      0.00017
      6       8.0694      0.00000
      7       8.4453      0.00000
      8       9.2649      0.00000
      9      10.0613      0.00000
     10      10.9114      0.00000
     11      11.9119      0.00000
     12      12.6674      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.5997      2.00000
      2       0.9389      2.00000
      3       3.3901      2.00000
      4       4.6285      2.00000
      5       6.6636      0.03525
      6       7.8648      0.00000
      7       8.1026      0.00000
      8       9.2645      0.00000
      9      10.9397      0.00000
     10      11.2314      0.00000
     11      11.7306      0.00000
     12      12.6665      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2055      2.00000
      2       0.1646      2.00000
      3       3.7844      2.00000
      4       4.9905      1.99999
      5       5.9605      1.90599
      6       7.2158      0.00014
      7       8.3948      0.00000
      8       9.4186      0.00000
      9      10.5468      0.00000
     10      11.3964      0.00000
     11      12.3763      0.00000
     12      12.9837      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8457      2.00000
      2      -0.3874      2.00000
      3       4.1662      2.00000
      4       5.2690      1.99990
      5       5.4606      1.99934
      6       6.7153      0.02115
      7       8.7197      0.00000
      8       9.5617      0.00000
      9      10.0119      0.00000
     10      11.7636      0.00000
     11      12.1174      0.00000
     12      13.2978      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1242      2.00000
      2       1.6044      2.00000
      3       4.0083      2.00000
      4       4.8351      2.00000
      5       6.4507      0.26193
      6       7.5539      0.00000
      7       9.2573      0.00000
      8       9.4188      0.00000
      9       9.9346      0.00000
     10      10.6572      0.00000
     11      11.9240      0.00000
     12      12.2696      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0745      2.00000
      2       1.6468      2.00000
      3       3.9418      2.00000
      4       4.3280      2.00000
      5       7.0410      0.00082
      6       7.6598      0.00000
      7       8.8345      0.00000
      8       9.3443      0.00000
      9       9.9676      0.00000
     10      11.0560      0.00000
     11      11.3043      0.00000
     12      12.6210      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9260      2.00000
      2       1.7624      2.00000
      3       3.1477      2.00000
      4       4.2776      2.00000
      5       7.2412      0.00011
      6       8.0812      0.00000
      7       8.6054      0.00000
      8       9.5040      0.00000
      9       9.7959      0.00000
     10      10.6149      0.00000
     11      11.5627      0.00000
     12      13.2294      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6816      2.00000
      2       1.7904      2.00000
      3       2.3778      2.00000
      4       4.4866      2.00000
      5       6.6069      0.06129
      6       8.0867      0.00000
      7       8.9693      0.00000
      8       9.5860      0.00000
      9      10.0295      0.00000
     10      10.7316      0.00000
     11      11.7372      0.00000
     12      12.7801      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3487      2.00000
      2       1.1308      2.00000
      3       2.4519      2.00000
      4       4.7747      2.00000
      5       5.8247      1.97496
      6       8.1004      0.00000
      7       8.4241      0.00000
      8       9.9764      0.00000
      9      10.4985      0.00000
     10      11.5201      0.00000
     11      11.7137      0.00000
     12      12.6828      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9496      2.00000
      2       0.3763      2.00000
      3       2.8006      2.00000
      4       4.9037      2.00000
      5       5.3399      1.99980
      6       7.4174      0.00002
      7       8.7196      0.00000
      8      10.3472      0.00000
      9      10.5298      0.00000
     10      11.3164      0.00000
     11      12.3869      0.00000
     12      12.7114      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5800      2.00000
      2      -0.1795      2.00000
      3       3.1397      2.00000
      4       4.4824      2.00000
      5       5.5806      1.99779
      6       6.8928      0.00362
      7       9.0325      0.00000
      8      10.2005      0.00000
      9      10.7361      0.00000
     10      11.3793      0.00000
     11      12.1524      0.00000
     12      12.6985      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7923      2.00000
      2       0.7116      2.00000
      3       4.2918      2.00000
      4       5.1754      1.99996
      5       6.7352      0.01738
      6       7.7998      0.00000
      7       8.3630      0.00000
      8       8.4923      0.00000
      9       9.8294      0.00000
     10      11.3386      0.00000
     11      11.9632      0.00000
     12      12.1887      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7421      2.00000
      2       0.7557      2.00000
      3       4.2561      2.00000
      4       4.6198      2.00000
      5       7.3106      0.00006
      6       7.6312      0.00000
      7       8.1687      0.00000
      8       8.5622      0.00000
      9      10.2635      0.00000
     10      11.2160      0.00000
     11      11.6039      0.00000
     12      12.3674      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5923      2.00000
      2       0.8845      2.00000
      3       3.4644      2.00000
      4       4.5378      2.00000
      5       6.7118      0.02191
      6       8.1244      0.00000
      7       8.3151      0.00000
      8       9.1408      0.00000
      9      10.3167      0.00000
     10      10.8360      0.00000
     11      11.8182      0.00000
     12      12.8379      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3454      2.00000
      2       1.0787      2.00000
      3       2.5139      2.00000
      4       4.7306      2.00000
      5       5.8443      1.96963
      6       8.3790      0.00000
      7       8.6096      0.00000
      8       9.4295      0.00000
      9      10.2831      0.00000
     10      11.2806      0.00000
     11      11.9629      0.00000
     12      13.0253      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0081      2.00000
      2       1.1708      2.00000
      3       1.8178      2.00000
      4       4.7760      2.00000
      5       5.2750      1.99990
      6       8.3711      0.00000
      7       8.7335      0.00000
      8       9.1019      0.00000
      9      11.0309      0.00000
     10      11.8673      0.00000
     11      12.0950      0.00000
     12      12.4732      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6006      2.00000
      2       0.6390      2.00000
      3       1.9133      2.00000
      4       4.1856      2.00000
      5       5.5249      1.99874
      6       7.6871      0.00000
      7       9.0832      0.00000
      8       9.4373      0.00000
      9      10.9635      0.00000
     10      11.7227      0.00000
     11      11.8870      0.00000
     12      12.6504      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2142      2.00000
      2       0.0912      2.00000
      3       2.1922      2.00000
      4       3.7059      2.00000
      5       5.8666      1.96219
      6       7.1521      0.00027
      7       9.4045      0.00000
      8       9.8015      0.00000
      9      10.5715      0.00000
     10      11.2540      0.00000
     11      11.9565      0.00000
     12      12.9227      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4006      2.00000
      2      -0.0555      2.00000
      3       4.6617      2.00000
      4       5.5947      1.99746
      5       6.8672      0.00467
      6       7.6836      0.00000
      7       7.7441      0.00000
      8       8.0500      0.00000
      9       9.0641      0.00000
     10      11.5461      0.00000
     11      12.5346      0.00000
     12      12.9918      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3496      2.00000
      2      -0.0114      2.00000
      3       4.6584      2.00000
      4       4.9752      1.99999
      5       6.9145      0.00291
      6       7.3292      0.00005
      7       8.1392      0.00000
      8       8.3209      0.00000
      9       9.4978      0.00000
     10      11.5610      0.00000
     11      11.9519      0.00000
     12      13.2932      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.1971      2.00000
      2       0.1191      2.00000
      3       3.8604      2.00000
      4       4.8629      2.00000
      5       6.0259      1.82672
      6       7.5796      0.00000
      7       8.4681      0.00000
      8       9.2370      0.00000
      9      10.2151      0.00000
     10      10.7520      0.00000
     11      12.3572      0.00000
     12      13.3001      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9452      2.00000
      2       0.3289      2.00000
      3       2.8682      2.00000
      4       4.8610      2.00000
      5       5.3439      1.99979
      6       7.8303      0.00000
      7       8.7300      0.00000
      8       9.7082      0.00000
      9      10.1870      0.00000
     10      11.2036      0.00000
     11      12.6027      0.00000
     12      13.1053      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.5995      2.00000
      2       0.5937      2.00000
      3       1.9689      2.00000
      4       4.1901      2.00000
      5       5.5076      1.99894
      6       8.1094      0.00000
      7       8.8981      0.00000
      8       9.0737      0.00000
      9      10.5878      0.00000
     10      11.7570      0.00000
     11      12.3348      0.00000
     12      12.6065      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1767      2.00000
      2       0.7561      2.00000
      3       1.3235      2.00000
      4       3.5153      2.00000
      5       5.8781      1.95765
      6       7.9749      0.00000
      7       8.6394      0.00000
      8       9.4841      0.00000
      9      10.7475      0.00000
     10      11.0900      0.00000
     11      11.6439      0.00000
     12      13.8126      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7588      2.00000
      2       0.3851      2.00000
      3       1.3513      2.00000
      4       3.0664      2.00000
      5       6.2466      1.07429
      6       7.4631      0.00001
      7       8.9036      0.00000
      8       9.9130      0.00000
      9      10.4535      0.00000
     10      10.7958      0.00000
     11      11.2684      0.00000
     12      13.7177      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0561      2.00000
      2      -0.5838      2.00000
      3       5.0811      1.99999
      4       6.0139      1.84483
      5       6.4987      0.17071
      6       7.0743      0.00059
      7       7.6672      0.00000
      8       8.2800      0.00000
      9       8.5177      0.00000
     10      11.4531      0.00000
     11      12.9192      0.00000
     12      13.9759      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0035      2.00000
      2      -0.5410      2.00000
      3       5.1158      1.99998
      4       5.3096      1.99985
      5       6.2791      0.91213
      6       6.8544      0.00531
      7       8.2972      0.00000
      8       8.6543      0.00000
      9       8.8190      0.00000
     10      11.5591      0.00000
     11      12.2357      0.00000
     12      14.0667      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8459      2.00000
      2      -0.4141      2.00000
      3       4.2378      2.00000
      4       5.1617      1.99997
      5       5.5459      1.99844
      6       6.9556      0.00193
      7       8.6431      0.00000
      8       9.4355      0.00000
      9       9.8766      0.00000
     10      11.1094      0.00000
     11      12.0814      0.00000
     12      13.1427      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5845      2.00000
      2      -0.2089      2.00000
      3       3.2028      2.00000
      4       4.5007      2.00000
      5       5.5744      1.99793
      6       7.1748      0.00022
      7       8.9054      0.00000
      8       9.9105      0.00000
      9      10.2190      0.00000
     10      11.2996      0.00000
     11      11.9637      0.00000
     12      13.1388      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2224      2.00000
      2       0.0600      2.00000
      3       2.2477      2.00000
      4       3.7261      2.00000
      5       5.8887      1.95304
      6       7.4697      0.00001
      7       9.1484      0.00000
      8       9.3416      0.00000
      9      10.3040      0.00000
     10      11.1916      0.00000
     11      12.4641      0.00000
     12      12.8893      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7686      2.00000
      2       0.3547      2.00000
      3       1.3966      2.00000
      4       3.0797      2.00000
      5       6.2906      0.85564
      6       7.7915      0.00000
      7       8.4589      0.00000
      8       9.7154      0.00000
      9      10.2235      0.00000
     10      10.7721      0.00000
     11      11.6894      0.00000
     12      13.8523      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2782      2.00000
      2       0.5504      2.00000
      3       0.7387      2.00000
      4       2.6740      2.00000
      5       6.6961      0.02558
      6       7.7556      0.00000
      7       8.1889      0.00000
      8       9.8359      0.00000
      9      10.2220      0.00000
     10      10.7882      0.00000
     11      11.0102      0.00000
     12      13.7137      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2134      2.00000
      2       2.4329      2.00000
      3       3.0467      2.00000
      4       4.7439      2.00000
      5       6.4465      0.27173
      6       8.1481      0.00000
      7       8.9943      0.00000
      8       9.4471      0.00000
      9      10.3646      0.00000
     10      10.7902      0.00000
     11      11.6596      0.00000
     12      12.5575      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1638      2.00000
      2       2.4840      2.00000
      3       3.0450      2.00000
      4       4.1716      2.00000
      5       7.1279      0.00035
      6       8.1794      0.00000
      7       8.9953      0.00000
      8       9.3859      0.00000
      9       9.7108      0.00000
     10      10.4959      0.00000
     11      12.1624      0.00000
     12      12.9905      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0156      2.00000
      2       2.6372      2.00000
      3       2.7802      2.00000
      4       3.5589      2.00000
      5       8.1620      0.00000
      6       8.2211      0.00000
      7       8.7959      0.00000
      8       8.8441      0.00000
      9       9.3366      0.00000
     10      10.3267      0.00000
     11      12.5313      0.00000
     12      13.5180      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7719      2.00000
      2       1.9506      2.00000
      3       2.8915      2.00000
      4       3.6058      2.00000
      5       7.4905      0.00001
      6       7.9528      0.00000
      7       8.7541      0.00000
      8       9.3710      0.00000
      9       9.5733      0.00000
     10      10.7538      0.00000
     11      12.6636      0.00000
     12      13.2182      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4402      2.00000
      2       1.0769      2.00000
      3       3.2438      2.00000
      4       3.8472      2.00000
      5       6.6009      0.06498
      6       7.2386      0.00011
      7       9.0583      0.00000
      8       9.7015      0.00000
      9      10.0426      0.00000
     10      11.9231      0.00000
     11      12.1357      0.00000
     12      13.2256      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0433      2.00000
      2       0.3040      2.00000
      3       3.6852      2.00000
      4       4.1442      2.00000
      5       5.7802      1.98388
      6       6.6069      0.06128
      7       9.4872      0.00000
      8       9.9320      0.00000
      9      10.4406      0.00000
     10      11.3907      0.00000
     11      12.5704      0.00000
     12      13.0855      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6779      2.00000
      2      -0.2520      2.00000
      3       4.1619      2.00000
      4       4.3875      2.00000
      5       5.1108      1.99998
      6       6.1927      1.33100
      7       9.9945      0.00000
      8      10.0686      0.00000
      9      10.7109      0.00000
     10      10.8089      0.00000
     11      12.0276      0.00000
     12      12.9870      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9623      2.00000
      2       1.6543      2.00000
      3       3.0334      2.00000
      4       4.9961      1.99999
      5       6.6172      0.05546
      6       8.4252      0.00000
      7       8.7279      0.00000
      8       9.5028      0.00000
      9      10.1058      0.00000
     10      10.8046      0.00000
     11      11.1532      0.00000
     12      12.4318      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9125      2.00000
      2       1.7000      2.00000
      3       3.0550      2.00000
      4       4.3944      2.00000
      5       7.2708      0.00008
      6       8.4761      0.00000
      7       8.5321      0.00000
      8       9.2240      0.00000
      9       9.8467      0.00000
     10      10.6422      0.00000
     11      11.6710      0.00000
     12      12.7977      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7636      2.00000
      2       1.8296      2.00000
      3       2.9798      2.00000
      4       3.6075      2.00000
      5       7.6620      0.00000
      6       8.1700      0.00000
      7       8.8468      0.00000
      8       9.0397      0.00000
      9       9.4062      0.00000
     10      10.7352      0.00000
     11      12.2805      0.00000
     12      13.4461      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5186      2.00000
      2       1.9211      2.00000
      3       2.3928      2.00000
      4       3.5656      2.00000
      5       6.7605      0.01351
      6       7.9836      0.00000
      7       8.7914      0.00000
      8       9.2851      0.00000
      9      10.2043      0.00000
     10      11.0704      0.00000
     11      12.5991      0.00000
     12      13.5098      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.1844      2.00000
      2       1.2791      2.00000
      3       2.4919      2.00000
      4       3.8122      2.00000
      5       5.8921      1.95144
      6       7.2367      0.00012
      7       9.0851      0.00000
      8       9.6214      0.00000
      9      10.8241      0.00000
     10      12.0438      0.00000
     11      12.6193      0.00000
     12      12.7275      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.7827      2.00000
      2       0.5229      2.00000
      3       2.8666      2.00000
      4       4.1213      2.00000
      5       5.1313      1.99998
      6       6.5661      0.09078
      7       9.4474      0.00000
      8      10.0030      0.00000
      9      11.1218      0.00000
     10      11.8198      0.00000
     11      12.1718      0.00000
     12      13.3434      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4075      2.00000
      2      -0.0377      2.00000
      3       3.2341      2.00000
      4       4.3420      2.00000
      5       4.6162      2.00000
      6       6.1199      1.60941
      7       9.7471      0.00000
      8      10.3942      0.00000
      9      11.2172      0.00000
     10      11.3455      0.00000
     11      11.7266      0.00000
     12      13.5175      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6253      2.00000
      2       0.7924      2.00000
      3       3.2831      2.00000
      4       5.3405      1.99980
      5       6.6152      0.05653
      6       7.8184      0.00000
      7       8.5922      0.00000
      8       8.9634      0.00000
      9      10.4869      0.00000
     10      11.0660      0.00000
     11      11.5022      0.00000
     12      12.1847      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.5750      2.00000
      2       0.8377      2.00000
      3       3.3138      2.00000
      4       4.7051      2.00000
      5       7.0233      0.00098
      6       7.8525      0.00000
      7       8.2428      0.00000
      8       9.2684      0.00000
      9      10.3563      0.00000
     10      10.9165      0.00000
     11      11.7548      0.00000
     12      12.4995      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4249      2.00000
      2       0.9708      2.00000
      3       3.3034      2.00000
      4       3.8379      2.00000
      5       6.8136      0.00797
      6       7.5064      0.00001
      7       9.1256      0.00000
      8       9.3517      0.00000
      9       9.6748      0.00000
     10      11.6039      0.00000
     11      11.9923      0.00000
     12      12.9689      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.1774      2.00000
      2       1.1758      2.00000
      3       2.6129      2.00000
      4       3.7702      2.00000
      5       5.9385      1.92390
      6       7.6473      0.00000
      7       8.5446      0.00000
      8       9.6645      0.00000
      9      10.6949      0.00000
     10      12.0291      0.00000
     11      12.1246      0.00000
     12      12.8522      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8390      2.00000
      2       1.3098      2.00000
      3       1.9065      2.00000
      4       4.0027      2.00000
      5       5.1278      1.99998
      6       7.3745      0.00003
      7       8.2791      0.00000
      8      10.0036      0.00000
      9      11.6368      0.00000
     10      11.9385      0.00000
     11      12.4025      0.00000
     12      12.8483      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4292      2.00000
      2       0.7947      2.00000
      3       2.0003      2.00000
      4       4.0740      2.00000
      5       4.6645      2.00000
      6       6.7421      0.01623
      7       8.5341      0.00000
      8      10.3558      0.00000
      9      11.0246      0.00000
     10      12.1939      0.00000
     11      12.7969      0.00000
     12      13.0417      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0374      2.00000
      2       0.2411      2.00000
      3       2.2967      2.00000
      4       3.7128      2.00000
      5       4.8169      2.00000
      6       6.2689      0.96318
      7       8.7968      0.00000
      8      10.4375      0.00000
      9      10.8446      0.00000
     10      11.8629      0.00000
     11      13.0734      0.00000
     12      13.1677      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2292      2.00000
      2       0.0385      2.00000
      3       3.6331      2.00000
      4       5.7625      1.98648
      5       6.1778      1.39549
      6       7.7412      0.00000
      7       7.7929      0.00000
      8       9.0653      0.00000
      9       9.9765      0.00000
     10      11.4180      0.00000
     11      11.9793      0.00000
     12      12.7046      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.1781      2.00000
      2       0.0834      2.00000
      3       3.6707      2.00000
      4       5.0693      1.99999
      5       6.3473      0.59536
      6       7.2322      0.00012
      7       8.3939      0.00000
      8       9.4482      0.00000
      9      10.2190      0.00000
     10      10.7274      0.00000
     11      12.1859      0.00000
     12      13.1647      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       0.2163      2.00000
      3       3.7186      2.00000
      4       4.1314      2.00000
      5       6.0071      1.85437
      6       6.8413      0.00605
      7       9.5595      0.00000
      8       9.7451      0.00000
      9       9.8141      0.00000
     10      10.9110      0.00000
     11      12.3551      0.00000
     12      13.0252      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.7732      2.00000
      2       0.4307      2.00000
      3       2.9976      2.00000
      4       4.0466      2.00000
      5       5.2185      1.99994
      6       6.9576      0.00189
      7       8.8053      0.00000
      8      10.0471      0.00000
      9      10.9164      0.00000
     10      11.4278      0.00000
     11      11.9418      0.00000
     12      13.6164      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4266      2.00000
      2       0.7052      2.00000
      3       2.1101      2.00000
      4       4.0596      2.00000
      5       4.6870      2.00000
      6       7.1312      0.00033
      7       8.0257      0.00000
      8      10.3579      0.00000
      9      10.9109      0.00000
     10      11.7391      0.00000
     11      12.8102      0.00000
     12      13.5591      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0018      2.00000
      2       0.9015      2.00000
      3       1.4420      2.00000
      4       3.5393      2.00000
      5       4.8791      2.00000
      6       6.9385      0.00229
      7       7.7753      0.00000
      8      10.1703      0.00000
      9      10.8746      0.00000
     10      12.0695      0.00000
     11      12.8856      0.00000
     12      14.1596      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.5787      2.00000
      2       0.5439      2.00000
      3       1.4638      2.00000
      4       3.1018      2.00000
      5       5.1934      1.99995
      6       6.4944      0.17751
      7       7.9331      0.00000
      8       9.7746      0.00000
      9      11.2748      0.00000
     10      12.1068      0.00000
     11      12.4559      0.00000
     12      14.5545      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8880      2.00000
      2      -0.4735      2.00000
      3       4.0276      2.00000
      4       5.5994      1.99734
      5       6.1741      1.41100
      6       7.2018      0.00016
      7       7.8504      0.00000
      8       8.9678      0.00000
      9       9.7840      0.00000
     10      11.8101      0.00000
     11      11.9687      0.00000
     12      13.2797      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8354      2.00000
      2      -0.4301      2.00000
      3       4.0722      2.00000
      4       5.3589      1.99976
      5       5.7155      1.99152
      6       6.7796      0.01118
      7       8.6154      0.00000
      8       9.4758      0.00000
      9       9.8368      0.00000
     10      11.1179      0.00000
     11      12.0440      0.00000
     12      13.2059      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6777      2.00000
      2      -0.3013      2.00000
      3       4.1907      2.00000
      4       4.3935      2.00000
      5       5.3133      1.99985
      6       6.3701      0.50480
      7       9.8168      0.00000
      8      10.0596      0.00000
      9      10.1489      0.00000
     10      10.3617      0.00000
     11      11.7808      0.00000
     12      12.9472      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4163      2.00000
      2      -0.0928      2.00000
      3       3.3564      2.00000
      4       4.2882      2.00000
      5       4.7527      2.00000
      6       6.3904      0.43189
      7       9.1237      0.00000
      8      10.2150      0.00000
      9      10.8771      0.00000
     10      11.2121      0.00000
     11      11.5200      0.00000
     12      13.5047      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0537      2.00000
      2       0.1815      2.00000
      3       2.4046      2.00000
      4       3.7476      2.00000
      5       4.8728      2.00000
      6       6.5835      0.07681
      7       8.2401      0.00000
      8      10.2548      0.00000
      9      10.5625      0.00000
     10      11.6330      0.00000
     11      13.0169      0.00000
     12      13.7162      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.5987      2.00000
      2       0.4850      2.00000
      3       1.5528      2.00000
      4       3.1284      2.00000
      5       5.2535      1.99992
      6       6.7958      0.00951
      7       7.4979      0.00001
      8       9.6511      0.00000
      9      10.9925      0.00000
     10      11.9369      0.00000
     11      12.9416      0.00000
     12      14.5972      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1035      2.00000
      2       0.7014      2.00000
      3       0.8791      2.00000
      4       2.7237      2.00000
      5       5.6458      1.99577
      6       6.7040      0.02367
      7       7.1976      0.00017
      8       9.2750      0.00000
      9      11.4730      0.00000
     10      12.1026      0.00000
     11      12.2916      0.00000
     12      14.6123      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7049      2.00000
      2       1.5714      2.00000
      3       2.3229      2.00000
      4       5.2534      1.99992
      5       6.5260      0.13262
      6       7.8186      0.00000
      7       9.5397      0.00000
      8       9.8267      0.00000
      9       9.9299      0.00000
     10      10.4527      0.00000
     11      11.2255      0.00000
     12      12.4588      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6549      2.00000
      2       1.6230      2.00000
      3       2.3511      2.00000
      4       4.6198      2.00000
      5       6.9508      0.00203
      6       8.1379      0.00000
      7       8.7823      0.00000
      8       9.3502      0.00000
      9      10.0651      0.00000
     10      10.8194      0.00000
     11      11.8269      0.00000
     12      12.8011      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5054      2.00000
      2       1.7777      2.00000
      3       2.4057      2.00000
      4       3.6738      2.00000
      5       7.2392      0.00011
      6       7.7401      0.00000
      7       8.4573      0.00000
      8       9.2586      0.00000
      9      10.2588      0.00000
     10      11.1342      0.00000
     11      12.7605      0.00000
     12      13.4413      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2592      2.00000
      2       2.0344      2.00000
      3       2.2197      2.00000
      4       3.0635      2.00000
      5       6.7252      0.01919
      6       7.1117      0.00041
      7       8.0572      0.00000
      8      10.4793      0.00000
      9      10.5174      0.00000
     10      11.4052      0.00000
     11      12.7269      0.00000
     12      13.2554      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9228      2.00000
      2       1.5060      2.00000
      3       2.3904      2.00000
      4       3.1221      2.00000
      5       5.7870      1.98277
      6       6.5409      0.11530
      7       8.1790      0.00000
      8      10.8590      0.00000
      9      11.1987      0.00000
     10      11.6813      0.00000
     11      12.6897      0.00000
     12      13.4893      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5166      2.00000
      2       0.7539      2.00000
      3       2.8372      2.00000
      4       3.3602      2.00000
      5       4.9477      2.00000
      6       5.9628      1.90391
      7       8.4713      0.00000
      8      10.8474      0.00000
      9      11.2894      0.00000
     10      11.8316      0.00000
     11      13.1122      0.00000
     12      14.0429      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1320      2.00000
      2       0.1868      2.00000
      3       3.3232      2.00000
      4       3.5608      2.00000
      5       4.2644      2.00000
      6       5.5900      1.99758
      7       8.7308      0.00000
      8      10.4473      0.00000
      9      11.7748      0.00000
     10      11.9801      0.00000
     11      12.5114      0.00000
     12      14.1019      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       0.9244      2.00000
      3       2.3558      2.00000
      4       5.6017      1.99728
      5       5.9978      1.86638
      6       7.7338      0.00000
      7       8.7795      0.00000
      8       9.9965      0.00000
      9      10.0533      0.00000
     10      11.1662      0.00000
     11      11.4059      0.00000
     12      12.7227      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3111      2.00000
      2       0.9724      2.00000
      3       2.3927      2.00000
      4       4.9131      2.00000
      5       6.2396      1.10909
      6       8.0666      0.00000
      7       8.3761      0.00000
      8       9.4657      0.00000
      9      10.4613      0.00000
     10      11.5013      0.00000
     11      11.8248      0.00000
     12      12.9147      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1606      2.00000
      2       1.1145      2.00000
      3       2.4913      2.00000
      4       3.9414      2.00000
      5       6.3546      0.56527
      6       7.1903      0.00019
      7       8.5181      0.00000
      8       9.5504      0.00000
      9      10.8511      0.00000
     10      12.1356      0.00000
     11      12.3374      0.00000
     12      12.7036      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9122      2.00000
      2       1.3404      2.00000
      3       2.5138      2.00000
      4       3.1524      2.00000
      5       6.0025      1.86043
      6       6.6708      0.03284
      7       7.7611      0.00000
      8      10.8550      0.00000
      9      11.1203      0.00000
     10      11.6507      0.00000
     11      12.7635      0.00000
     12      13.1098      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.5720      2.00000
      2       1.5452      2.00000
      3       2.0160      2.00000
      4       3.1350      2.00000
      5       5.1862      1.99996
      6       6.3839      0.45430
      7       7.4417      0.00001
      8      10.7120      0.00000
      9      11.4984      0.00000
     10      12.3719      0.00000
     11      13.1770      0.00000
     12      13.5613      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.1584      2.00000
      2       1.0429      2.00000
      3       2.1514      2.00000
      4       3.3992      2.00000
      5       4.4318      2.00000
      6       5.8625      1.96367
      7       7.5792      0.00000
      8      10.0916      0.00000
      9      11.9016      0.00000
     10      13.0655      0.00000
     11      13.6723      0.00000
     12      14.1204      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.7579      2.00000
      2       0.4786      2.00000
      3       2.4949      2.00000
      4       3.6097      2.00000
      5       3.9057      2.00000
      6       5.4720      1.99925
      7       7.7714      0.00000
      8       9.6879      0.00000
      9      12.2962      0.00000
     10      13.1534      0.00000
     11      13.5180      0.00000
     12      14.3402      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9585      2.00000
      2       0.2071      2.00000
      3       2.6614      2.00000
      4       5.3016      1.99986
      5       6.0258      1.82688
      6       7.9345      0.00000
      7       7.9966      0.00000
      8       9.6879      0.00000
      9      10.4034      0.00000
     10      11.2605      0.00000
     11      11.9851      0.00000
     12      13.0196      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9074      2.00000
      2       0.2533      2.00000
      3       2.7036      2.00000
      4       5.0923      1.99998
      5       5.6801      1.99405
      6       7.4195      0.00002
      7       8.6356      0.00000
      8       9.7564      0.00000
      9      10.3238      0.00000
     10      11.3389      0.00000
     11      12.5609      0.00000
     12      12.6441      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7545      2.00000
      2       0.3908      2.00000
      3       2.8236      2.00000
      4       4.2613      2.00000
      5       5.5352      1.99860
      6       6.5875      0.07390
      7       8.8140      0.00000
      8       9.8936      0.00000
      9      11.1191      0.00000
     10      11.6139      0.00000
     11      11.8443      0.00000
     12      13.4478      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5017      2.00000
      2       0.6137      2.00000
      3       2.9361      2.00000
      4       3.3943      2.00000
      5       5.1902      1.99996
      6       6.1384      1.54800
      7       7.9124      0.00000
      8      10.7429      0.00000
      9      11.3388      0.00000
     10      11.6171      0.00000
     11      12.5481      0.00000
     12      14.0076      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.1541      2.00000
      2       0.9044      2.00000
      3       2.3209      2.00000
      4       3.3714      2.00000
      5       4.5141      2.00000
      6       6.1220      1.60261
      7       7.1702      0.00023
      8      10.0323      0.00000
      9      11.8975      0.00000
     10      12.7678      0.00000
     11      13.2560      0.00000
     12      14.5556      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7266      2.00000
      2       1.1467      2.00000
      3       1.6413      2.00000
      4       3.4602      2.00000
      5       4.0658      2.00000
      6       5.9315      1.92883
      7       6.8556      0.00524
      8       9.4259      0.00000
      9      12.3204      0.00000
     10      13.3958      0.00000
     11      14.2441      0.00000
     12      14.4571      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.2963      2.00000
      2       0.7985      2.00000
      3       1.6747      2.00000
      4       3.1536      2.00000
      5       4.1924      2.00000
      6       5.5663      1.99809
      7       6.9051      0.00320
      8       9.0590      0.00000
      9      12.7550      0.00000
     10      13.5269      0.00000
     11      13.8237      0.00000
     12      15.0396      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6165      2.00000
      2      -0.2867      2.00000
      3       3.0218      2.00000
      4       4.6909      2.00000
      5       6.4286      0.31656
      6       7.4258      0.00002
      7       8.1052      0.00000
      8       9.4304      0.00000
      9      10.7986      0.00000
     10      11.2378      0.00000
     11      12.3790      0.00000
     12      12.5965      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5639      2.00000
      2      -0.2421      2.00000
      3       3.0690      2.00000
      4       4.6846      2.00000
      5       5.7740      1.98485
      6       6.9519      0.00201
      7       8.8754      0.00000
      8       9.9235      0.00000
      9      10.2168      0.00000
     10      11.2971      0.00000
     11      11.9746      0.00000
     12      12.9945      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4064      2.00000
      2      -0.1097      2.00000
      3       3.2079      2.00000
      4       4.4958      2.00000
      5       4.8773      2.00000
      6       6.2048      1.27620
      7       9.1389      0.00000
      8      10.1939      0.00000
      9      10.9102      0.00000
     10      11.2368      0.00000
     11      11.4606      0.00000
     12      13.4952      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1450      2.00000
      2       0.1052      2.00000
      3       3.4164      2.00000
      4       3.6144      2.00000
      5       4.4907      2.00000
      6       5.7367      1.98954
      7       8.1672      0.00000
      8      10.2291      0.00000
      9      11.6181      0.00000
     10      11.7632      0.00000
     11      12.1212      0.00000
     12      14.0117      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.7824      2.00000
      2       0.3897      2.00000
      3       2.6588      2.00000
      4       3.5956      2.00000
      5       4.0732      2.00000
      6       5.6872      1.99361
      7       7.2811      0.00007
      8       9.5162      0.00000
      9      12.0142      0.00000
     10      12.8651      0.00000
     11      13.2663      0.00000
     12      14.8917      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3267      2.00000
      2       0.7092      2.00000
      3       1.8096      2.00000
      4       3.1918      2.00000
      5       4.2732      2.00000
      6       5.7793      1.98403
      7       6.5392      0.11712
      8       8.9546      0.00000
      9      12.4386      0.00000
     10      13.3177      0.00000
     11      14.3385      0.00000
     12      14.8480      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1726      2.00000
      2       0.9531      2.00000
      3       1.1242      2.00000
      4       2.8012      2.00000
      5       4.6399      2.00000
      6       5.6882      1.99355
      7       6.1709      1.42447
      8       8.6304      0.00000
      9      12.9066      0.00000
     10      13.5484      0.00000
     11      13.7244      0.00000
     12      15.7869      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0089      2.00000
      2       0.9144      2.00000
      3       1.7437      2.00000
      4       5.2038      1.99995
      5       5.9543      1.91147
      6       7.9441      0.00000
      7       8.9206      0.00000
      8       9.2868      0.00000
      9      10.2592      0.00000
     10      11.2789      0.00000
     11      12.2103      0.00000
     12      13.1594      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9582      2.00000
      2       0.9664      2.00000
      3       1.7807      2.00000
      4       4.9980      1.99999
      5       5.6369      1.99613
      6       8.2014      0.00000
      7       8.4986      0.00000
      8       8.9151      0.00000
      9      11.0106      0.00000
     10      11.7884      0.00000
     11      12.2954      0.00000
     12      12.4810      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8068      2.00000
      2       1.1220      2.00000
      3       1.8860      2.00000
      4       4.1938      2.00000
      5       5.5587      1.99823
      6       7.1348      0.00032
      7       7.9710      0.00000
      8       9.8606      0.00000
      9      11.6239      0.00000
     10      11.9752      0.00000
     11      12.6567      0.00000
     12      12.7217      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.5568      2.00000
      2       1.3800      2.00000
      3       2.0280      2.00000
      4       3.2887      2.00000
      5       5.6097      1.99705
      6       6.1050      1.65407
      7       7.2332      0.00012
      8      10.6512      0.00000
      9      11.3850      0.00000
     10      12.4322      0.00000
     11      13.2741      0.00000
     12      13.6473      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2136      2.00000
      2       1.7379      2.00000
      3       1.9697      2.00000
      4       2.6933      2.00000
      5       5.1575      1.99997
      6       5.5390      1.99854
      7       6.7692      0.01240
      8       9.9508      0.00000
      9      12.7618      0.00000
     10      12.8057      0.00000
     11      13.7657      0.00000
     12      14.2742      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.7939      2.00000
      2       1.3667      2.00000
      3       2.1873      2.00000
      4       2.7659      2.00000
      5       4.3117      2.00000
      6       5.2254      1.99994
      7       6.7128      0.02169
      8       9.3474      0.00000
      9      13.2306      0.00000
     10      13.6890      0.00000
     11      14.6058      0.00000
     12      14.7961      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.3793      2.00000
      2       0.7917      2.00000
      3       2.6757      2.00000
      4       2.9369      2.00000
      5       3.6242      2.00000
      6       4.9349      2.00000
      7       6.8087      0.00837
      8       8.9835      0.00000
      9      13.6920      0.00000
     10      14.0165      0.00000
     11      14.3817      0.00000
     12      15.2587      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5947      2.00000
      2       0.4136      2.00000
      3       1.8167      2.00000
      4       4.4560      2.00000
      5       6.3803      0.46708
      6       8.2437      0.00000
      7       8.2832      0.00000
      8       9.5051      0.00000
      9       9.9565      0.00000
     10      11.4531      0.00000
     11      12.3155      0.00000
     12      12.7288      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5434      2.00000
      2       0.4625      2.00000
      3       1.8595      2.00000
      4       4.4529      2.00000
      5       5.8078      1.97882
      6       7.6691      0.00000
      7       8.8517      0.00000
      8       9.0356      0.00000
      9      10.6757      0.00000
     10      11.7097      0.00000
     11      12.1457      0.00000
     12      12.8001      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.3901      2.00000
      2       0.6083      2.00000
      3       1.9856      2.00000
      4       4.2977      2.00000
      5       5.0280      1.99999
      6       6.6978      0.02516
      7       8.0214      0.00000
      8      10.1781      0.00000
      9      10.9342      0.00000
     10      11.8999      0.00000
     11      12.9709      0.00000
     12      13.2166      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.1366      2.00000
      2       0.8469      2.00000
      3       2.1828      2.00000
      4       3.5839      2.00000
      5       4.8154      2.00000
      6       5.7836      1.98333
      7       7.1520      0.00027
      8       9.9963      0.00000
      9      11.7461      0.00000
     10      12.9467      0.00000
     11      13.4031      0.00000
     12      14.3407      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.7874      2.00000
      2       1.1660      2.00000
      3       2.3501      2.00000
      4       2.8255      2.00000
      5       4.5381      2.00000
      6       5.2186      1.99994
      7       6.4319      0.30777
      8       9.2948      0.00000
      9      13.2206      0.00000
     10      13.4610      0.00000
     11      14.2320      0.00000
     12      14.9810      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.3561      2.00000
      2       1.4831      2.00000
      3       1.8894      2.00000
      4       2.8667      2.00000
      5       3.8972      2.00000
      6       5.0062      1.99999
      7       6.0226      1.83192
      8       8.7408      0.00000
      9      13.8414      0.00000
     10      14.6282      0.00000
     11      14.8571      0.00000
     12      15.4906      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1       0.0849      2.00000
      2       1.1412      2.00000
      3       1.9755      2.00000
      4       3.0906      2.00000
      5       3.3829      2.00000
      6       4.7584      2.00000
      7       5.9438      1.91994
      8       8.4231      0.00000
      9      14.2917      0.00000
     10      14.9312      0.00000
     11      15.2129      0.00000
     12      15.4577      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2439      2.00000
      2      -0.0421      2.00000
      3       2.1079      2.00000
      4       3.8625      2.00000
      5       6.7742      0.01180
      6       7.7383      0.00000
      7       8.4602      0.00000
      8       9.7001      0.00000
      9       9.8951      0.00000
     10      11.6250      0.00000
     11      11.6284      0.00000
     12      12.7932      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1914      2.00000
      2       0.0044      2.00000
      3       2.1562      2.00000
      4       3.8797      2.00000
      5       6.1088      1.64323
      6       7.2138      0.00015
      7       9.2029      0.00000
      8       9.2751      0.00000
      9      10.2880      0.00000
     10      11.2158      0.00000
     11      12.3428      0.00000
     12      12.8518      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0342      2.00000
      2       0.1427      2.00000
      3       2.2999      2.00000
      4       3.9145      2.00000
      5       5.0643      1.99999
      6       6.3279      0.67959
      7       8.2664      0.00000
      8      10.2023      0.00000
      9      10.5972      0.00000
     10      11.6261      0.00000
     11      12.9722      0.00000
     12      13.5950      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.7732      2.00000
      2       0.3684      2.00000
      3       2.5340      2.00000
      4       3.8053      2.00000
      5       4.1642      2.00000
      6       5.5119      1.99889
      7       7.2931      0.00007
      8       9.4984      0.00000
      9      12.0440      0.00000
     10      12.8483      0.00000
     11      13.2264      0.00000
     12      14.8717      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4110      2.00000
      2       0.6700      2.00000
      3       2.8319      2.00000
      4       3.0193      2.00000
      5       3.8550      2.00000
      6       4.9908      1.99999
      7       6.4062      0.38095
      8       8.8410      0.00000
      9      13.5348      0.00000
     10      13.5992      0.00000
     11      14.0155      0.00000
     12      15.4897      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.0448      2.00000
      2       1.0166      2.00000
      3       2.1631      2.00000
      4       3.1023      2.00000
      5       3.5384      2.00000
      6       4.8488      2.00000
      7       5.6580      1.99522
      8       8.3405      0.00000
      9      13.9536      0.00000
     10      14.7290      0.00000
     11      15.1746      0.00000
     12      15.7521      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.5472      2.00000
      2       1.3014      2.00000
      3       1.4711      2.00000
      4       2.8826      2.00000
      5       3.7265      2.00000
      6       4.7533      2.00000
      7       5.2163      1.99994
      8       8.0633      0.00000
      9      14.4123      0.00000
     10      15.0388      0.00000
     11      15.2020      0.00000
     12      16.5178      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1590      2.00000
      2       0.4727      2.00000
      3       1.2928      2.00000
      4       3.7147      2.00000
      5       6.8094      0.00831
      6       8.5079      0.00000
      7       8.6192      0.00000
      8       8.8721      0.00000
      9       9.9519      0.00000
     10      11.0741      0.00000
     11      11.4591      0.00000
     12      13.7094      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1074      2.00000
      2       0.5248      2.00000
      3       1.3356      2.00000
      4       3.7346      2.00000
      5       6.1906      1.34047
      6       7.7924      0.00000
      7       8.3892      0.00000
      8       9.3382      0.00000
      9      10.7472      0.00000
     10      10.9046      0.00000
     11      11.7957      0.00000
     12      14.0368      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.9532      2.00000
      2       0.6809      2.00000
      3       1.4618      2.00000
      4       3.7775      2.00000
      5       5.2006      1.99995
      6       6.7202      0.02016
      7       7.5321      0.00001
      8      10.0465      0.00000
      9      10.7530      0.00000
     10      12.0508      0.00000
     11      12.8985      0.00000
     12      14.1796      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.6978      2.00000
      2       0.9398      2.00000
      3       1.6634      2.00000
      4       3.6965      2.00000
      5       4.3878      2.00000
      6       5.6850      1.99375
      7       6.6671      0.03404
      8       9.3512      0.00000
      9      12.1449      0.00000
     10      13.4334      0.00000
     11      14.1942      0.00000
     12      14.4193      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.3452      2.00000
      2       1.2988      2.00000
      3       1.9153      2.00000
      4       3.0697      2.00000
      5       4.2183      2.00000
      6       4.7332      2.00000
      7       5.9064      1.94422
      8       8.6994      0.00000
      9      13.6757      0.00000
     10      14.6487      0.00000
     11      14.8285      0.00000
     12      15.4583      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.0931      2.00000
      2       1.7492      2.00000
      3       2.0349      2.00000
      4       2.4615      2.00000
      5       3.8843      2.00000
      6       4.2348      2.00000
      7       5.3430      1.99979
      8       8.2053      0.00000
      9      15.1377      0.00000
     10      15.1903      0.00000
     11      15.6243      0.00000
     12      16.1608      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.5528      2.00000
      2       1.5447      2.00000
      3       2.2377      2.00000
      4       2.5330      2.00000
      5       3.1958      2.00000
      6       4.1765      2.00000
      7       5.0820      1.99998
      8       7.9331      0.00000
      9      15.6174      0.00000
     10      16.0098      0.00000
     11      16.0902      0.00000
     12      16.3044      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7787      2.00000
      2       0.2013      2.00000
      3       1.3309      2.00000
      4       3.1682      2.00000
      5       7.1994      0.00017
      6       8.1070      0.00000
      7       8.9091      0.00000
      8       9.1267      0.00000
      9       9.8209      0.00000
     10      10.7828      0.00000
     11      10.9409      0.00000
     12      13.5152      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7264      2.00000
      2       0.2509      2.00000
      3       1.3797      2.00000
      4       3.1906      2.00000
      5       6.5373      0.11922
      6       7.4970      0.00001
      7       8.5139      0.00000
      8       9.6575      0.00000
      9      10.2188      0.00000
     10      10.7074      0.00000
     11      11.6868      0.00000
     12      13.9461      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5695      2.00000
      2       0.3989      2.00000
      3       1.5251      2.00000
      4       3.2533      2.00000
      5       5.4865      1.99914
      6       6.4992      0.16985
      7       7.5286      0.00001
      8       9.6004      0.00000
      9      11.0019      0.00000
     10      11.8831      0.00000
     11      12.9292      0.00000
     12      14.4899      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3092      2.00000
      2       0.6423      2.00000
      3       1.7638      2.00000
      4       3.3374      2.00000
      5       4.4648      2.00000
      6       5.5247      1.99874
      7       6.5544      0.10146
      8       8.9169      0.00000
      9      12.4695      0.00000
     10      13.2652      0.00000
     11      14.3131      0.00000
     12      14.7315      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.0522      2.00000
      2       0.9732      2.00000
      3       2.0865      2.00000
      4       3.3106      2.00000
      5       3.6249      2.00000
      6       4.6623      2.00000
      7       5.6635      1.99496
      8       8.3208      0.00000
      9      14.0176      0.00000
     10      14.6596      0.00000
     11      15.0700      0.00000
     12      15.7380      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.5076      2.00000
      2       1.3681      2.00000
      3       2.4572      2.00000
      4       2.6170      2.00000
      5       3.4107      2.00000
      6       4.0657      2.00000
      7       4.8990      2.00000
      8       7.8781      0.00000
      9      15.4116      0.00000
     10      15.6142      0.00000
     11      15.9094      0.00000
     12      16.8363      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       1.0121      2.00000
      2       1.7289      2.00000
      3       1.9099      2.00000
      4       2.8124      2.00000
      5       3.0582      2.00000
      6       3.9231      2.00000
      7       4.3685      2.00000
      8       7.6394      0.00000
      9      15.8969      0.00000
     10      16.4721      0.00000
     11      16.6071      0.00000
     12      16.9511      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2918      2.00000
      2       0.2509      2.00000
      3       0.8700      2.00000
      4       2.7048      2.00000
      5       7.6215      0.00000
      6       8.3016      0.00000
      7       8.7338      0.00000
      8       9.3919      0.00000
      9       9.7680      0.00000
     10      10.1453      0.00000
     11      10.4554      0.00000
     12      13.3727      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2396      2.00000
      2       0.3031      2.00000
      3       0.9205      2.00000
      4       2.7263      2.00000
      5       6.9729      0.00163
      6       7.5859      0.00000
      7       8.1122      0.00000
      8       9.7887      0.00000
      9      10.1435      0.00000
     10      10.5687      0.00000
     11      11.2303      0.00000
     12      13.7595      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.0833      2.00000
      2       0.4594      2.00000
      3       1.0712      2.00000
      4       2.7880      2.00000
      5       5.9284      1.93096
      6       6.5112      0.15210
      7       7.0945      0.00048
      8       9.1940      0.00000
      9      11.4501      0.00000
     10      11.8953      0.00000
     11      12.5122      0.00000
     12      14.6815      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1763      2.00000
      2       0.7186      2.00000
      3       1.3195      2.00000
      4       2.8817      2.00000
      5       4.9020      2.00000
      6       5.4736      1.99924
      7       6.0903      1.69406
      8       8.5649      0.00000
      9      12.9151      0.00000
     10      13.3407      0.00000
     11      13.9294      0.00000
     12      15.8571      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.5370      2.00000
      2       1.0781      2.00000
      3       1.6586      2.00000
      4       2.9916      2.00000
      5       3.9557      2.00000
      6       4.5199      2.00000
      7       5.1650      1.99997
      8       8.0192      0.00000
      9      14.4589      0.00000
     10      14.8280      0.00000
     11      15.4007      0.00000
     12      16.1649      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9921      2.00000
      2       1.5289      2.00000
      3       2.0658      2.00000
      4       3.0163      2.00000
      5       3.1973      2.00000
      6       3.6698      2.00000
      7       4.3466      2.00000
      8       7.6174      0.00000
      9      16.0195      0.00000
     10      16.2248      0.00000
     11      16.6320      0.00000
     12      16.8356      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4997      2.00000
      2       2.0171      2.00000
      3       2.3766      2.00000
      4       2.4404      2.00000
      5       2.9812      2.00000
      6       3.2762      2.00000
      7       3.6893      2.00000
      8       7.4030      0.00002
      9      16.9870      0.00000
     10      17.4024      0.00000
     11      17.4540      0.00000
     12      17.7071      0.00000

 k-point   197 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5759      2.00000
      2       3.6458      2.00000
      3       4.3767      2.00000
      4       4.3821      2.00000
      5       5.6027      1.99725
      6       6.1681      1.43585
      7       7.8108      0.00000
      8      11.1974      0.00000
      9      11.5896      0.00000
     10      12.3871      0.00000
     11      12.8529      0.00000
     12      12.9958      0.00000

 k-point   198 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5265      2.00000
      2       3.5690      2.00000
      3       3.8386      2.00000
      4       4.4279      2.00000
      5       5.9345      1.92676
      6       6.5175      0.14347
      7       7.9625      0.00000
      8      10.8139      0.00000
      9      11.2797      0.00000
     10      11.7427      0.00000
     11      12.4866      0.00000
     12      12.8945      0.00000

 k-point   199 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3793      2.00000
      2       2.6483      2.00000
      3       3.8835      2.00000
      4       4.5747      2.00000
      5       6.1487      1.51072
      6       7.1463      0.00029
      7       8.6268      0.00000
      8       9.8350      0.00000
      9      10.4996      0.00000
     10      11.4674      0.00000
     11      11.8712      0.00000
     12      13.0474      0.00000

 k-point   200 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.1373      2.00000
      2       1.6631      2.00000
      3       4.1171      2.00000
      4       4.8180      2.00000
      5       6.3930      0.42321
      6       7.4513      0.00001
      7       8.8359      0.00000
      8       9.4714      0.00000
      9       9.9084      0.00000
     10      10.9711      0.00000
     11      11.7260      0.00000
     12      12.5952      0.00000

 k-point   201 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7610      2.00000
      3       4.4443      2.00000
      4       5.1544      1.99997
      5       6.6817      0.02949
      6       7.6006      0.00000
      7       8.0455      0.00000
      8       8.5457      0.00000
      9      10.1276      0.00000
     10      11.3461      0.00000
     11      11.9162      0.00000
     12      12.2948      0.00000

 k-point   202 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.4184      2.00000
      2      -0.0161      2.00000
      3       4.8442      2.00000
      4       5.5719      1.99798
      5       6.7632      0.01316
      6       7.4565      0.00001
      7       7.6883      0.00000
      8       7.9408      0.00000
      9       9.3567      0.00000
     10      11.6012      0.00000
     11      12.4457      0.00000
     12      13.1213      0.00000

 k-point   203 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.0658      2.00000
      2      -0.5631      2.00000
      3       5.2336      1.99993
      4       6.0059      1.85598
      5       6.3567      0.55688
      6       7.0855      0.00053
      7       7.6194      0.00000
      8       8.1414      0.00000
      9       8.6931      0.00000
     10      11.4378      0.00000
     11      12.7773      0.00000
     12      14.1231      0.00000

 k-point   204 :       0.0000   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0795      2.00000
      2      -0.5502      2.00000
      3       5.3264      1.99983
      4       5.9807      1.88620
      5       6.2151      1.22782
      6       7.1175      0.00038
      7       7.5514      0.00001
      8       7.9190      0.00000
      9       8.9695      0.00000
     10      11.5445      0.00000
     11      13.1689      0.00000
     12      14.2241      0.00000

 k-point   205 :       0.0769   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0270      2.00000
      2      -0.5072      2.00000
      3       5.2746      1.99990
      4       5.3887      1.99968
      5       6.0668      1.75025
      6       6.7545      0.01434
      7       8.1594      0.00000
      8       8.3330      0.00000
      9       9.3123      0.00000
     10      11.6601      0.00000
     11      12.4158      0.00000
     12      13.7975      0.00000

 k-point   206 :       0.1538   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8699      2.00000
      2      -0.3800      2.00000
      3       4.2211      2.00000
      4       5.3603      1.99976
      5       5.5426      1.99849
      6       6.6891      0.02742
      7       8.4359      0.00000
      8       9.4807      0.00000
      9      10.1176      0.00000
     10      11.3567      0.00000
     11      11.9796      0.00000
     12      12.9444      0.00000

 k-point   207 :       0.2308   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.6095      2.00000
      2      -0.1742      2.00000
      3       3.1859      2.00000
      4       4.5310      2.00000
      5       5.7780      1.98423
      6       6.8706      0.00452
      7       8.6986      0.00000
      8      10.2288      0.00000
      9      10.3493      0.00000
     10      11.3312      0.00000
     11      11.7001      0.00000
     12      12.9166      0.00000

 k-point   208 :       0.3077   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2492      2.00000
      2       0.0954      2.00000
      3       2.2329      2.00000
      4       3.7503      2.00000
      5       6.1197      1.60985
      6       7.1493      0.00028
      7       9.0064      0.00000
      8       9.4331      0.00000
      9      10.5224      0.00000
     10      10.9851      0.00000
     11      12.3721      0.00000
     12      12.8610      0.00000

 k-point   209 :       0.3846   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7992      2.00000
      2       0.3900      2.00000
      3       1.3880      2.00000
      4       3.1017      2.00000
      5       6.5501      0.10566
      6       7.4720      0.00001
      7       8.5914      0.00000
      8       9.3795      0.00000
      9      10.1317      0.00000
     10      10.9085      0.00000
     11      11.7523      0.00000
     12      14.0098      0.00000

 k-point   210 :       0.4615   -0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3193      2.00000
      2       0.5559      2.00000
      3       0.7732      2.00000
      4       2.6933      2.00000
      5       7.0188      0.00103
      6       7.7330      0.00000
      7       7.9314      0.00000
      8       9.5339      0.00000
      9       9.8796      0.00000
     10      10.8692      0.00000
     11      11.4123      0.00000
     12      13.8612      0.00000

 k-point   211 :       0.0000   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4388      2.00000
      2       0.0137      2.00000
      3       5.0287      1.99999
      4       5.5510      1.99836
      5       6.5654      0.09137
      6       7.1658      0.00024
      7       7.7574      0.00000
      8       7.8025      0.00000
      9       9.6367      0.00000
     10      11.8048      0.00000
     11      12.9868      0.00000
     12      13.0929      0.00000

 k-point   212 :       0.0769   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3879      2.00000
      2       0.0577      2.00000
      3       4.8673      2.00000
      4       5.0854      1.99998
      5       6.6049      0.06248
      6       7.1269      0.00035
      7       7.7001      0.00000
      8       8.2814      0.00000
      9      10.0564      0.00000
     10      11.8838      0.00000
     11      12.2528      0.00000
     12      13.1127      0.00000

 k-point   213 :       0.1538   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2357      2.00000
      2       0.1880      2.00000
      3       3.8434      2.00000
      4       5.1811      1.99996
      5       6.0465      1.79128
      6       6.9873      0.00141
      7       8.1157      0.00000
      8       9.2928      0.00000
      9      10.7916      0.00000
     10      11.1306      0.00000
     11      12.3434      0.00000
     12      13.0137      0.00000

 k-point   214 :       0.2308   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9846      2.00000
      2       0.3968      2.00000
      3       2.8440      2.00000
      4       4.9741      1.99999
      5       5.6279      1.99646
      6       7.1890      0.00019
      7       8.3747      0.00000
      8      10.1224      0.00000
      9      10.5001      0.00000
     10      11.4371      0.00000
     11      12.0348      0.00000
     12      12.6138      0.00000

 k-point   215 :       0.3077   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6401      2.00000
      2       0.6568      2.00000
      3       1.9492      2.00000
      4       4.2397      2.00000
      5       5.8829      1.95562
      6       7.4842      0.00001
      7       8.6600      0.00000
      8       9.2225      0.00000
      9      11.0937      0.00000
     10      11.1567      0.00000
     11      12.1073      0.00000
     12      12.6809      0.00000

 k-point   216 :       0.3846   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.2197      2.00000
      2       0.7719      2.00000
      3       1.3546      2.00000
      4       3.5643      2.00000
      5       6.2824      0.89596
      6       7.8073      0.00000
      7       8.4326      0.00000
      8       8.9951      0.00000
      9      10.3683      0.00000
     10      11.0898      0.00000
     11      12.0421      0.00000
     12      13.8857      0.00000

 k-point   217 :       0.4615   -0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.8072      2.00000
      2       0.3629      2.00000
      3       1.4290      2.00000
      4       3.1134      2.00000
      5       6.7026      0.02399
      6       7.7190      0.00000
      7       8.1904      0.00000
      8       9.3164      0.00000
      9       9.7925      0.00000
     10      10.8484      0.00000
     11      12.1301      0.00000
     12      14.1120      0.00000

 k-point   218 :       0.0000   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8269      2.00000
      2       0.7986      2.00000
      3       4.6076      2.00000
      4       5.1381      1.99997
      5       6.6290      0.04943
      6       7.2638      0.00009
      7       7.8108      0.00000
      8       8.5802      0.00000
      9      10.3814      0.00000
     10      11.3395      0.00000
     11      12.3891      0.00000
     12      12.6030      0.00000

 k-point   219 :       0.0769   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7768      2.00000
      2       0.8424      2.00000
      3       4.4380      2.00000
      4       4.7066      2.00000
      5       7.1398      0.00031
      6       7.3230      0.00005
      7       7.7224      0.00000
      8       8.4344      0.00000
      9      10.8698      0.00000
     10      11.3659      0.00000
     11      11.8074      0.00000
     12      12.5738      0.00000

 k-point   220 :       0.1538   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6272      2.00000
      2       0.9697      2.00000
      3       3.4569      2.00000
      4       4.8057      2.00000
      5       6.7590      0.01372
      6       7.4666      0.00001
      7       7.9753      0.00000
      8       9.0798      0.00000
      9      10.7441      0.00000
     10      11.5080      0.00000
     11      11.6184      0.00000
     12      12.8500      0.00000

 k-point   221 :       0.2308   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3806      2.00000
      2       1.1580      2.00000
      3       2.4998      2.00000
      4       4.9797      1.99999
      5       5.9693      1.89779
      6       7.7122      0.00000
      7       8.1947      0.00000
      8       9.7768      0.00000
      9      10.3587      0.00000
     10      11.6062      0.00000
     11      11.9398      0.00000
     12      12.5202      0.00000

 k-point   222 :       0.3077   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0440      2.00000
      2       1.1970      2.00000
      3       1.8538      2.00000
      4       4.8487      2.00000
      5       5.6020      1.99727
      6       8.0420      0.00000
      7       8.3680      0.00000
      8       8.9612      0.00000
      9      11.1442      0.00000
     10      11.7551      0.00000
     11      11.8707      0.00000
     12      12.2068      0.00000

 k-point   223 :       0.3846   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6380      2.00000
      2       0.6178      2.00000
      3       1.9971      2.00000
      4       4.2424      2.00000
      5       5.8910      1.95199
      6       7.9472      0.00000
      7       8.5084      0.00000
      8       8.8050      0.00000
      9      10.5742      0.00000
     10      11.2536      0.00000
     11      12.5419      0.00000
     12      12.6353      0.00000

 k-point   224 :       0.4615   -0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2548      2.00000
      2       0.0689      2.00000
      3       2.2811      2.00000
      4       3.7673      2.00000
      5       6.2622      0.99655
      6       7.4097      0.00002
      7       8.9172      0.00000
      8       8.9614      0.00000
      9       9.9949      0.00000
     10      10.9547      0.00000
     11      12.7572      0.00000
     12      12.9756      0.00000

 k-point   225 :       0.0000   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1513      2.00000
      2       1.7070      2.00000
      3       4.2415      2.00000
      4       4.8066      2.00000
      5       6.3367      0.64070
      6       7.3383      0.00004
      7       8.3543      0.00000
      8       9.5198      0.00000
      9       9.8453      0.00000
     10      11.2371      0.00000
     11      12.2405      0.00000
     12      12.8908      0.00000

 k-point   226 :       0.0769   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1015      2.00000
      2       1.7484      2.00000
      3       4.0834      2.00000
      4       4.3808      2.00000
      5       6.8673      0.00467
      6       7.5380      0.00001
      7       8.3304      0.00000
      8       9.0372      0.00000
      9       9.9434      0.00000
     10      11.4929      0.00000
     11      11.7610      0.00000
     12      13.0680      0.00000

 k-point   227 :       0.1538   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9532      2.00000
      2       1.8583      2.00000
      3       3.1526      2.00000
      4       4.4659      2.00000
      5       7.1369      0.00032
      6       7.9327      0.00000
      7       8.3495      0.00000
      8       8.9278      0.00000
      9       9.9900      0.00000
     10      10.5887      0.00000
     11      12.3822      0.00000
     12      13.0764      0.00000

 k-point   228 :       0.2308   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7091      2.00000
      2       1.8268      2.00000
      3       2.4289      2.00000
      4       4.6800      2.00000
      5       6.7146      0.02130
      6       7.7591      0.00000
      7       8.6952      0.00000
      8       9.4541      0.00000
      9       9.8159      0.00000
     10      10.5925      0.00000
     11      12.1301      0.00000
     12      13.0902      0.00000

 k-point   229 :       0.3077   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3766      2.00000
      2       1.1153      2.00000
      3       2.5500      2.00000
      4       4.9423      2.00000
      5       5.9951      1.86970
      6       7.9885      0.00000
      7       8.3952      0.00000
      8       9.2106      0.00000
      9      10.1971      0.00000
     10      11.4753      0.00000
     11      11.8280      0.00000
     12      12.6976      0.00000

 k-point   230 :       0.3846   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9785      2.00000
      2       0.3572      2.00000
      3       2.8994      2.00000
      4       4.9461      2.00000
      5       5.6549      1.99537
      6       7.6533      0.00000
      7       8.3653      0.00000
      8       9.4733      0.00000
      9      10.1759      0.00000
     10      11.1613      0.00000
     11      11.9743      0.00000
     12      13.1895      0.00000

 k-point   231 :       0.4615   -0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6110      2.00000
      2      -0.1976      2.00000
      3       3.2363      2.00000
      4       4.5467      2.00000
      5       5.8972      1.94899
      6       7.1145      0.00039
      7       8.6650      0.00000
      8       9.7211      0.00000
      9       9.9171      0.00000
     10      11.1790      0.00000
     11      11.4694      0.00000
     12      13.1821      0.00000

 k-point   232 :       0.0000   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3886      2.00000
      2       2.7008      2.00000
      3       3.9600      2.00000
      4       4.5682      2.00000
      5       6.1057      1.65222
      6       7.0846      0.00053
      7       8.5260      0.00000
      8       9.3302      0.00000
      9      10.5587      0.00000
     10      11.9561      0.00000
     11      12.0100      0.00000
     12      12.9849      0.00000

 k-point   233 :       0.0769   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3391      2.00000
      2       2.7343      2.00000
      3       3.8198      2.00000
      4       4.1387      2.00000
      5       6.6532      0.03904
      6       7.2675      0.00009
      7       8.5843      0.00000
      8       9.2960      0.00000
      9      10.0300      0.00000
     10      11.2680      0.00000
     11      12.5545      0.00000
     12      13.2725      0.00000

 k-point   234 :       0.1538   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1914      2.00000
      2       2.6509      2.00000
      3       3.1120      2.00000
      4       4.2031      2.00000
      5       7.0333      0.00089
      6       8.0539      0.00000
      7       8.7237      0.00000
      8       8.9759      0.00000
      9       9.5736      0.00000
     10      10.3965      0.00000
     11      12.6294      0.00000
     12      13.4250      0.00000

 k-point   235 :       0.2308   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9486      2.00000
      2       1.8124      2.00000
      3       3.2059      2.00000
      4       4.4234      2.00000
      5       7.1864      0.00019
      6       7.9971      0.00000
      7       8.5320      0.00000
      8       9.1056      0.00000
      9       9.6664      0.00000
     10      10.3646      0.00000
     11      11.9190      0.00000
     12      13.3235      0.00000

 k-point   236 :       0.3077   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6185      2.00000
      2       0.9263      2.00000
      3       3.5143      2.00000
      4       4.7275      2.00000
      5       6.8216      0.00736
      6       7.8055      0.00000
      7       8.1591      0.00000
      8       8.9623      0.00000
      9      10.0470      0.00000
     10      11.0993      0.00000
     11      11.6606      0.00000
     12      12.7910      0.00000

 k-point   237 :       0.3846   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2250      2.00000
      2       0.1514      2.00000
      3       3.9000      2.00000
      4       5.0794      1.99999
      5       6.1474      1.51576
      6       7.4037      0.00002
      7       8.1623      0.00000
      8       9.1421      0.00000
      9      10.2927      0.00000
     10      10.5143      0.00000
     11      12.1952      0.00000
     12      12.9285      0.00000

 k-point   238 :       0.4615   -0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8665      2.00000
      2      -0.3997      2.00000
      3       4.2653      2.00000
      4       5.3096      1.99985
      5       5.7083      1.99211
      6       6.9036      0.00325
      7       8.4538      0.00000
      8       9.2961      0.00000
      9       9.8798      0.00000
     10      10.7380      0.00000
     11      11.7289      0.00000
     12      12.7914      0.00000

 k-point   239 :       0.0000   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5311      2.00000
      2       3.6736      2.00000
      3       3.8162      2.00000
      4       4.4263      2.00000
      5       5.9063      1.94423
      6       6.4764      0.20880
      7       7.9251      0.00000
      8      10.2586      0.00000
      9      11.5749      0.00000
     10      11.8764      0.00000
     11      12.5635      0.00000
     12      12.8992      0.00000

 k-point   240 :       0.0769   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4818      2.00000
      2       3.6142      2.00000
      3       3.7253      2.00000
      4       4.0334      2.00000
      5       6.5196      0.14075
      6       6.5361      0.12057
      7       8.0579      0.00000
      8      10.2446      0.00000
      9      10.8452      0.00000
     10      11.2602      0.00000
     11      12.8078      0.00000
     12      13.3313      0.00000

 k-point   241 :       0.1538   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3344      2.00000
      2       2.6821      2.00000
      3       3.8780      2.00000
      4       4.0878      2.00000
      5       6.6797      0.03008
      6       7.2621      0.00009
      7       8.6686      0.00000
      8       9.7872      0.00000
      9       9.9152      0.00000
     10      10.7439      0.00000
     11      12.2523      0.00000
     12      13.2330      0.00000

 k-point   242 :       0.2308   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0923      2.00000
      2       1.7021      2.00000
      3       4.1327      2.00000
      4       4.2977      2.00000
      5       6.9301      0.00249
      6       7.5720      0.00000
      7       8.7720      0.00000
      8       9.0636      0.00000
      9       9.9381      0.00000
     10      10.8345      0.00000
     11      11.3955      0.00000
     12      12.7802      0.00000

 k-point   243 :       0.3077   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7634      2.00000
      2       0.8016      2.00000
      3       4.4875      2.00000
      4       4.5885      2.00000
      5       7.2483      0.00010
      6       7.6336      0.00000
      7       7.8709      0.00000
      8       8.3997      0.00000
      9      10.5287      0.00000
     10      10.9915      0.00000
     11      11.4331      0.00000
     12      12.3949      0.00000

 k-point   244 :       0.3846   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3723      2.00000
      2       0.0245      2.00000
      3       4.9208      2.00000
      4       4.9434      2.00000
      5       6.9240      0.00265
      6       7.2882      0.00007
      7       7.8061      0.00000
      8       8.1935      0.00000
      9       9.7166      0.00000
     10      11.3070      0.00000
     11      11.8783      0.00000
     12      13.1761      0.00000

 k-point   245 :       0.4615   -0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0185      2.00000
      2      -0.5235      2.00000
      3       5.2047      1.99995
      4       5.4671      1.99929
      5       6.2208      1.20053
      6       6.8850      0.00391
      7       8.2158      0.00000
      8       8.3393      0.00000
      9       8.9823      0.00000
     10      11.4652      0.00000
     11      11.8208      0.00000
     12      13.3751      0.00000

 k-point   246 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6201      2.00000
      3       4.5133      2.00000
      4       4.5292      2.00000
      5       5.7657      1.98604
      6       6.7679      0.01256
      7       8.5847      0.00000
      8      10.1866      0.00000
      9      10.4717      0.00000
     10      11.6050      0.00000
     11      12.8796      0.00000
     12      12.9441      0.00000

 k-point   247 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3790      2.00000
      2       2.6527      2.00000
      3       3.8831      2.00000
      4       4.5655      2.00000
      5       6.1480      1.51344
      6       7.1423      0.00030
      7       8.6337      0.00000
      8       9.8033      0.00000
      9      10.3042      0.00000
     10      11.8089      0.00000
     11      12.0078      0.00000
     12      12.8903      0.00000

 k-point   248 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2314      2.00000
      2       2.5872      2.00000
      3       3.0739      2.00000
      4       4.7119      2.00000
      5       6.4119      0.36370
      6       8.0602      0.00000
      7       8.6655      0.00000
      8       9.1533      0.00000
      9      10.3666      0.00000
     10      10.7435      0.00000
     11      11.9924      0.00000
     12      12.7093      0.00000

 k-point   249 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7735      2.00000
      3       3.1327      2.00000
      4       4.9544      2.00000
      5       6.5712      0.08644
      6       7.9294      0.00000
      7       8.6020      0.00000
      8       9.6061      0.00000
      9      10.0416      0.00000
     10      10.6561      0.00000
     11      11.4323      0.00000
     12      12.8030      0.00000

 k-point   250 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.6588      2.00000
      2       0.8884      2.00000
      3       3.4357      2.00000
      4       5.2889      1.99988
      5       6.4656      0.22988
      6       7.4779      0.00001
      7       8.6036      0.00000
      8       8.9147      0.00000
      9      10.6084      0.00000
     10      11.0410      0.00000
     11      11.5367      0.00000
     12      12.6456      0.00000

 k-point   251 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.2658      2.00000
      2       0.1138      2.00000
      3       3.8193      2.00000
      4       5.6930      1.99323
      5       5.9377      1.92445
      6       7.5875      0.00000
      7       7.8458      0.00000
      8       8.9906      0.00000
      9      10.1254      0.00000
     10      11.3694      0.00000
     11      12.2659      0.00000
     12      12.9346      0.00000

 k-point   252 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.9081      2.00000
      2      -0.4365      2.00000
      3       4.1863      2.00000
      4       5.4112      1.99959
      5       6.1358      1.55683
      6       7.2256      0.00013
      7       7.8089      0.00000
      8       8.9764      0.00000
      9       9.8534      0.00000
     10      11.7037      0.00000
     11      11.9962      0.00000
     12      13.2353      0.00000

 k-point   253 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3699      2.00000
      2       2.5885      2.00000
      3       3.8129      2.00000
      4       4.5877      2.00000
      5       6.1918      1.33492
      6       7.1975      0.00017
      7       8.6997      0.00000
      8      10.2912      0.00000
      9      10.4517      0.00000
     10      11.4601      0.00000
     11      11.7465      0.00000
     12      12.6505      0.00000

 k-point   254 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3204      2.00000
      2       2.6266      2.00000
      3       3.7132      2.00000
      4       4.1243      2.00000
      5       6.7652      0.01290
      6       7.3448      0.00004
      7       8.7312      0.00000
      8       9.8141      0.00000
      9      10.3281      0.00000
     10      11.1284      0.00000
     11      11.8243      0.00000
     12      13.0226      0.00000

 k-point   255 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1726      2.00000
      2       2.6138      2.00000
      3       3.0288      2.00000
      4       4.1005      2.00000
      5       7.1561      0.00026
      6       8.1298      0.00000
      7       8.6939      0.00000
      8       9.1131      0.00000
      9      10.0239      0.00000
     10      10.6857      0.00000
     11      12.0745      0.00000
     12      12.9946      0.00000

 k-point   256 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9296      2.00000
      2       1.8227      2.00000
      3       3.0889      2.00000
      4       4.3112      2.00000
      5       7.1900      0.00019
      6       8.0714      0.00000
      7       8.4514      0.00000
      8       9.2646      0.00000
      9      10.0620      0.00000
     10      10.9096      0.00000
     11      11.8974      0.00000
     12      12.6620      0.00000

 k-point   257 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.5992      2.00000
      2       0.9395      2.00000
      3       3.4022      2.00000
      4       4.6141      2.00000
      5       6.6709      0.03278
      6       7.8481      0.00000
      7       8.0946      0.00000
      8       9.2806      0.00000
      9      10.9382      0.00000
     10      11.2197      0.00000
     11      11.7307      0.00000
     12      12.6726      0.00000

 k-point   258 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.2051      2.00000
      2       0.1651      2.00000
      3       3.7974      2.00000
      4       4.9761      1.99999
      5       5.9693      1.89784
      6       7.2030      0.00016
      7       8.3750      0.00000
      8       9.4356      0.00000
      9      10.5440      0.00000
     10      11.3950      0.00000
     11      12.3884      0.00000
     12      12.9776      0.00000

 k-point   259 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8453      2.00000
      2      -0.3868      2.00000
      3       4.1804      2.00000
      4       5.2663      1.99990
      5       5.4556      1.99937
      6       6.7037      0.02373
      7       8.6950      0.00000
      8       9.5650      0.00000
      9      10.0295      0.00000
     10      11.7623      0.00000
     11      12.1273      0.00000
     12      13.2967      0.00000

 k-point   260 :       0.0000   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9355      2.00000
      2      -0.4051      2.00000
      3       4.2523      2.00000
      4       5.3046      1.99986
      5       6.1083      1.64457
      6       7.2875      0.00007
      7       7.7398      0.00000
      8       8.8955      0.00000
      9       9.8760      0.00000
     10      12.0511      0.00000
     11      12.1941      0.00000
     12      13.3245      0.00000

 k-point   261 :       0.0769   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8831      2.00000
      2      -0.3614      2.00000
      3       4.3020      2.00000
      4       5.2396      1.99993
      5       5.4737      1.99924
      6       6.8475      0.00569
      7       8.5040      0.00000
      8       9.2605      0.00000
      9      10.1005      0.00000
     10      11.3634      0.00000
     11      12.0994      0.00000
     12      13.0163      0.00000

 k-point   262 :       0.1538   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7265      2.00000
      2      -0.2320      2.00000
      3       4.3394      2.00000
      4       4.4631      2.00000
      5       5.1000      1.99998
      6       6.2932      0.84291
      7       9.5943      0.00000
      8       9.8193      0.00000
      9      10.3365      0.00000
     10      10.8457      0.00000
     11      11.5709      0.00000
     12      12.9988      0.00000

 k-point   263 :       0.2308   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4669      2.00000
      2      -0.0224      2.00000
      3       3.3222      2.00000
      4       4.4977      2.00000
      5       4.7274      2.00000
      6       6.1691      1.43158
      7       9.2994      0.00000
      8       9.8849      0.00000
      9      10.8334      0.00000
     10      11.1463      0.00000
     11      11.7677      0.00000
     12      13.5398      0.00000

 k-point   264 :       0.3077   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.1079      2.00000
      2       0.2534      2.00000
      3       2.3736      2.00000
      4       3.8047      2.00000
      5       5.0611      1.99999
      6       6.3091      0.76647
      7       8.3782      0.00000
      8       9.9102      0.00000
      9      10.4141      0.00000
     10      11.9344      0.00000
     11      13.0416      0.00000
     12      13.4827      0.00000

 k-point   265 :       0.3846   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6601      2.00000
      2       0.5565      2.00000
      3       1.5337      2.00000
      4       3.1747      2.00000
      5       5.4991      1.99902
      6       6.5234      0.13588
      7       7.5510      0.00001
      8       9.4176      0.00000
      9      10.7065      0.00000
     10      12.2334      0.00000
     11      12.9064      0.00000
     12      14.5535      0.00000

 k-point   266 :       0.4615   -0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1852      2.00000
      2       0.7127      2.00000
      3       0.9463      2.00000
      4       2.7641      2.00000
      5       5.9833      1.88337
      6       6.6904      0.02706
      7       6.8715      0.00448
      8       9.0783      0.00000
      9      11.0647      0.00000
     10      12.0732      0.00000
     11      12.7496      0.00000
     12      14.8463      0.00000

 k-point   267 :       0.0000   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.3058      2.00000
      2       0.1789      2.00000
      3       3.9927      2.00000
      4       5.6455      1.99579
      5       5.6754      1.99432
      6       7.4440      0.00001
      7       7.9401      0.00000
      8       8.8348      0.00000
      9      10.2319      0.00000
     10      11.8391      0.00000
     11      12.5859      0.00000
     12      12.9516      0.00000

 k-point   268 :       0.0769   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2550      2.00000
      2       0.2236      2.00000
      3       4.0334      2.00000
      4       4.9802      1.99999
      5       5.7509      1.98796
      6       7.3797      0.00003
      7       8.1371      0.00000
      8       9.1129      0.00000
      9      10.6342      0.00000
     10      11.1569      0.00000
     11      12.5895      0.00000
     12      12.9827      0.00000

 k-point   269 :       0.1538   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.1030      2.00000
      2       0.3560      2.00000
      3       3.9167      2.00000
      4       4.2167      2.00000
      5       5.6934      1.99320
      6       6.6605      0.03631
      7       9.1319      0.00000
      8       9.6254      0.00000
      9      10.1205      0.00000
     10      11.5571      0.00000
     11      11.9747      0.00000
     12      13.0626      0.00000

 k-point   270 :       0.2308   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8520      2.00000
      2       0.5684      2.00000
      3       2.9583      2.00000
      4       4.3558      2.00000
      5       5.2609      1.99991
      6       6.4383      0.29142
      7       9.1316      0.00000
      8       9.5062      0.00000
      9      10.8307      0.00000
     10      11.2300      0.00000
     11      12.4085      0.00000
     12      13.3537      0.00000

 k-point   271 :       0.3077   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.5078      2.00000
      2       0.8336      2.00000
      3       2.0706      2.00000
      4       4.2152      2.00000
      5       4.9915      1.99999
      6       6.5836      0.07676
      7       8.2421      0.00000
      8       9.7355      0.00000
      9      10.4666      0.00000
     10      12.2047      0.00000
     11      12.8977      0.00000
     12      13.2172      0.00000

 k-point   272 :       0.3846   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0876      2.00000
      2       0.9332      2.00000
      3       1.5039      2.00000
      4       3.6414      2.00000
      5       5.2932      1.99988
      6       6.7865      0.01044
      7       7.4883      0.00001
      8       9.5713      0.00000
      9      10.3755      0.00000
     10      12.2329      0.00000
     11      13.2129      0.00000
     12      14.0005      0.00000

 k-point   273 :       0.4615   -0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6751      2.00000
      2       0.4984      2.00000
      3       1.6188      2.00000
      4       3.1990      2.00000
      5       5.6780      1.99417
      6       6.7014      0.02427
      7       7.1646      0.00024
      8       9.2570      0.00000
      9      10.6285      0.00000
     10      11.8425      0.00000
     11      13.4746      0.00000
     12      14.4208      0.00000

 k-point   274 :       0.0000   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6943      2.00000
      2       0.9710      2.00000
      3       3.5916      2.00000
      4       5.2662      1.99990
      5       6.2343      1.13530
      6       7.1968      0.00017
      7       8.6948      0.00000
      8       8.7682      0.00000
      9      10.7566      0.00000
     10      11.4458      0.00000
     11      11.4554      0.00000
     12      12.8599      0.00000

 k-point   275 :       0.0769   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6442      2.00000
      2       1.0156      2.00000
      3       3.6227      2.00000
      4       4.6311      2.00000
      5       6.4036      0.38911
      6       7.7598      0.00000
      7       8.0928      0.00000
      8       8.9862      0.00000
      9      10.7271      0.00000
     10      11.2614      0.00000
     11      11.6486      0.00000
     12      13.2609      0.00000

 k-point   276 :       0.1538   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4945      2.00000
      2       1.1457      2.00000
      3       3.4720      2.00000
      4       3.9063      2.00000
      5       6.4707      0.21973
      6       7.2832      0.00007
      7       8.7419      0.00000
      8       9.3623      0.00000
      9       9.7932      0.00000
     10      11.6502      0.00000
     11      12.3363      0.00000
     12      12.7377      0.00000

 k-point   277 :       0.2308   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2478      2.00000
      2       1.3391      2.00000
      3       2.5993      2.00000
      4       4.0274      2.00000
      5       6.0472      1.79001
      6       7.0067      0.00116
      7       8.7821      0.00000
      8       9.2147      0.00000
      9      10.5646      0.00000
     10      11.5891      0.00000
     11      12.1364      0.00000
     12      13.0703      0.00000

 k-point   278 :       0.3077   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.9107      2.00000
      2       1.3624      2.00000
      3       1.9847      2.00000
      4       4.2496      2.00000
      5       5.3475      1.99979
      6       7.1252      0.00035
      7       8.0241      0.00000
      8       9.4929      0.00000
      9      10.9317      0.00000
     10      11.7402      0.00000
     11      12.3985      0.00000
     12      12.9610      0.00000

 k-point   279 :       0.3846   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.5037      2.00000
      2       0.7511      2.00000
      3       2.1712      2.00000
      4       4.2076      2.00000
      5       5.0406      1.99999
      6       6.9377      0.00231
      7       7.7557      0.00000
      8       9.7525      0.00000
      9      10.3724      0.00000
     10      11.7761      0.00000
     11      12.7550      0.00000
     12      13.6712      0.00000

 k-point   280 :       0.4615   -0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.1183      2.00000
      2       0.1961      2.00000
      3       2.4740      2.00000
      4       3.8387      2.00000
      5       5.2393      1.99993
      6       6.5019      0.16576
      7       7.8983      0.00000
      8       9.7114      0.00000
      9      10.2803      0.00000
     10      11.4953      0.00000
     11      12.8598      0.00000
     12      14.2676      0.00000

 k-point   281 :       0.0000   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -3.0161      2.00000
      2       1.8754      2.00000
      3       3.2414      2.00000
      4       4.9393      2.00000
      5       6.5177      0.14327
      6       7.4246      0.00002
      7       8.4860      0.00000
      8       9.7094      0.00000
      9       9.9299      0.00000
     10      11.0866      0.00000
     11      11.4767      0.00000
     12      12.7461      0.00000

 k-point   282 :       0.0769   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9663      2.00000
      2       1.9191      2.00000
      3       3.2646      2.00000
      4       4.3352      2.00000
      5       7.0499      0.00075
      6       7.6196      0.00000
      7       8.4637      0.00000
      8       9.2025      0.00000
      9       9.9232      0.00000
     10      10.6151      0.00000
     11      12.1106      0.00000
     12      13.2641      0.00000

 k-point   283 :       0.1538   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.8178      2.00000
      2       2.0370      2.00000
      3       3.1100      2.00000
      4       3.6373      2.00000
      5       7.3323      0.00004
      6       7.9961      0.00000
      7       8.4724      0.00000
      8       9.0455      0.00000
      9       9.3626      0.00000
     10      10.4489      0.00000
     11      13.0676      0.00000
     12      13.5449      0.00000

 k-point   284 :       0.2308   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5732      2.00000
      2       1.9948      2.00000
      3       2.5266      2.00000
      4       3.7236      2.00000
      5       6.9397      0.00227
      6       7.6680      0.00000
      7       8.4991      0.00000
      8       8.9656      0.00000
      9       9.9425      0.00000
     10      10.7973      0.00000
     11      12.6291      0.00000
     12      13.1883      0.00000

 k-point   285 :       0.3077   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2399      2.00000
      2       1.2472      2.00000
      3       2.7080      2.00000
      4       3.9894      2.00000
      5       6.1303      1.57552
      6       7.3735      0.00003
      7       8.2619      0.00000
      8       9.2470      0.00000
      9      10.4336      0.00000
     10      11.5746      0.00000
     11      12.1379      0.00000
     12      12.6184      0.00000

 k-point   286 :       0.3846   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8401      2.00000
      2       0.4847      2.00000
      3       3.0756      2.00000
      4       4.2973      2.00000
      5       5.4027      1.99963
      6       6.7699      0.01231
      7       8.5067      0.00000
      8       9.5860      0.00000
      9      10.6817      0.00000
     10      10.9715      0.00000
     11      11.9118      0.00000
     12      13.5129      0.00000

 k-point   287 :       0.4615   -0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4692      2.00000
      2      -0.0738      2.00000
      3       3.4263      2.00000
      4       4.4831      2.00000
      5       4.9505      2.00000
      6       6.3309      0.66639
      7       8.7613      0.00000
      8       9.9214      0.00000
      9      10.4145      0.00000
     10      10.9045      0.00000
     11      11.4339      0.00000
     12      13.4489      0.00000

 k-point   288 :       0.0000   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2498      2.00000
      2       2.7376      2.00000
      3       3.0966      2.00000
      4       4.7056      2.00000
      5       6.3793      0.47081
      6       7.9576      0.00000
      7       8.1636      0.00000
      8       9.0253      0.00000
      9      10.6460      0.00000
     10      10.9142      0.00000
     11      11.9874      0.00000
     12      12.6964      0.00000

 k-point   289 :       0.0769   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2002      2.00000
      2       2.7894      2.00000
      3       3.0959      2.00000
      4       4.1259      2.00000
      5       7.0585      0.00069
      6       8.0042      0.00000
      7       8.2100      0.00000
      8       9.0049      0.00000
      9       9.9529      0.00000
     10      10.5116      0.00000
     11      12.6534      0.00000
     12      13.1732      0.00000

 k-point   290 :       0.1538   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0522      2.00000
      2       2.7964      2.00000
      3       2.9449      2.00000
      4       3.5420      2.00000
      5       8.0885      0.00000
      6       8.1268      0.00000
      7       8.3628      0.00000
      8       8.9010      0.00000
      9       8.9312      0.00000
     10      10.0666      0.00000
     11      13.2016      0.00000
     12      13.7812      0.00000

 k-point   291 :       0.2308   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       1.9330      2.00000
      3       3.2030      2.00000
      4       3.6169      2.00000
      5       7.7919      0.00000
      6       8.0035      0.00000
      7       8.4930      0.00000
      8       8.6567      0.00000
      9       9.2002      0.00000
     10      10.4851      0.00000
     11      12.7146      0.00000
     12      13.3843      0.00000

 k-point   292 :       0.3077   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4777      2.00000
      2       1.0521      2.00000
      3       3.5631      2.00000
      4       3.8557      2.00000
      5       6.8856      0.00389
      6       7.3710      0.00003
      7       8.8054      0.00000
      8       8.9699      0.00000
      9       9.4299      0.00000
     10      11.7608      0.00000
     11      11.9274      0.00000
     12      12.5172      0.00000

 k-point   293 :       0.3846   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0821      2.00000
      2       0.2777      2.00000
      3       4.0222      2.00000
      4       4.1375      2.00000
      5       6.0395      1.80404
      6       6.7744      0.01177
      7       9.2471      0.00000
      8       9.3613      0.00000
      9       9.5547      0.00000
     10      11.1459      0.00000
     11      11.7009      0.00000
     12      12.9117      0.00000

 k-point   294 :       0.4615   -0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7194      2.00000
      2      -0.2765      2.00000
      3       4.3569      2.00000
      4       4.5641      2.00000
      5       5.3025      1.99986
      6       6.3891      0.43654
      7       9.6187      0.00000
      8       9.7287      0.00000
      9       9.7886      0.00000
     10      10.4312      0.00000
     11      11.1467      0.00000
     12      12.8543      0.00000

 k-point   295 :       0.0000   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3882      2.00000
      2       2.7144      2.00000
      3       3.9443      2.00000
      4       4.5686      2.00000
      5       6.0989      1.67126
      6       7.0773      0.00057
      7       8.5428      0.00000
      8       9.3295      0.00000
      9      10.5723      0.00000
     10      11.9405      0.00000
     11      12.0185      0.00000
     12      12.9700      0.00000

 k-point   296 :       0.0769   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3387      2.00000
      2       2.7479      2.00000
      3       3.8130      2.00000
      4       4.1299      2.00000
      5       6.6384      0.04511
      6       7.2696      0.00008
      7       8.6004      0.00000
      8       9.2968      0.00000
      9      10.0395      0.00000
     10      11.2543      0.00000
     11      12.5621      0.00000
     12      13.2533      0.00000

 k-point   297 :       0.1538   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1910      2.00000
      2       2.6581      2.00000
      3       3.1176      2.00000
      4       4.1883      2.00000
      5       7.0130      0.00109
      6       8.0699      0.00000
      7       8.7369      0.00000
      8       8.9802      0.00000
      9       9.5687      0.00000
     10      10.3874      0.00000
     11      12.6147      0.00000
     12      13.4260      0.00000

 k-point   298 :       0.2308   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9482      2.00000
      2       1.8135      2.00000
      3       3.2182      2.00000
      4       4.4083      2.00000
      5       7.1713      0.00022
      6       8.0056      0.00000
      7       8.5473      0.00000
      8       9.0977      0.00000
      9       9.6640      0.00000
     10      10.3633      0.00000
     11      11.9062      0.00000
     12      13.3411      0.00000

 k-point   299 :       0.3077   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.6181      2.00000
      2       0.9269      2.00000
      3       3.5274      2.00000
      4       4.7124      2.00000
      5       6.8281      0.00690
      6       7.7872      0.00000
      7       8.1511      0.00000
      8       8.9801      0.00000
      9      10.0438      0.00000
     10      11.0895      0.00000
     11      11.6630      0.00000
     12      12.8044      0.00000

 k-point   300 :       0.3846   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.2246      2.00000
      2       0.1519      2.00000
      3       3.9137      2.00000
      4       5.0658      1.99999
      5       6.1551      1.48684
      6       7.3895      0.00003
      7       8.1417      0.00000
      8       9.1590      0.00000
      9      10.2885      0.00000
     10      10.5159      0.00000
     11      12.2055      0.00000
     12      12.9287      0.00000

 k-point   301 :       0.4615   -0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8661      2.00000
      2      -0.3992      2.00000
      3       4.2795      2.00000
      4       5.3106      1.99985
      5       5.7000      1.99274
      6       6.8916      0.00366
      7       8.4294      0.00000
      8       9.2976      0.00000
      9       9.8991      0.00000
     10      10.7360      0.00000
     11      11.7359      0.00000
     12      12.7936      0.00000

 k-point   302 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1862      2.00000
      2       1.6261      2.00000
      3       4.7458      2.00000
      4       4.7730      2.00000
      5       6.0353      1.81126
      6       7.0504      0.00075
      7       9.1988      0.00000
      8       9.4337      0.00000
      9       9.8708      0.00000
     10      10.7004      0.00000
     11      12.3877      0.00000
     12      13.1202      0.00000

 k-point   303 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1365      2.00000
      2       1.6674      2.00000
      3       4.1175      2.00000
      4       4.7999      2.00000
      5       6.3980      0.40691
      6       7.4432      0.00001
      7       8.8051      0.00000
      8       9.2996      0.00000
      9       9.9458      0.00000
     10      11.1219      0.00000
     11      12.0486      0.00000
     12      12.5575      0.00000

 k-point   304 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9882      2.00000
      2       1.7773      2.00000
      3       3.1291      2.00000
      4       4.9460      2.00000
      5       6.5754      0.08304
      6       7.9196      0.00000
      7       8.6001      0.00000
      8       9.4276      0.00000
      9      10.0618      0.00000
     10      10.9184      0.00000
     11      11.5096      0.00000
     12      12.6494      0.00000

 k-point   305 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7441      2.00000
      2       1.7657      2.00000
      3       2.3790      2.00000
      4       5.1881      1.99996
      5       6.3663      0.51903
      6       7.4699      0.00001
      7       9.5820      0.00000
      8       9.7100      0.00000
      9       9.9688      0.00000
     10      10.4111      0.00000
     11      11.4266      0.00000
     12      12.5014      0.00000

 k-point   306 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.4117      2.00000
      2       1.0779      2.00000
      3       2.4738      2.00000
      4       5.5182      1.99882
      5       5.7250      1.99068
      6       7.5532      0.00000
      7       8.8812      0.00000
      8       9.9452      0.00000
      9      10.1204      0.00000
     10      11.1644      0.00000
     11      11.4926      0.00000
     12      12.7079      0.00000

 k-point   307 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.0138      2.00000
      2       0.3223      2.00000
      3       2.8185      2.00000
      4       5.0307      1.99999
      5       5.9393      1.92329
      6       7.8207      0.00000
      7       8.0858      0.00000
      8       9.7746      0.00000
      9      10.4130      0.00000
     10      11.1593      0.00000
     11      12.3196      0.00000
     12      12.7386      0.00000

 k-point   308 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.6467      2.00000
      2      -0.2317      2.00000
      3       3.1518      2.00000
      4       4.5218      2.00000
      5       6.3600      0.54363
      6       7.4608      0.00001
      7       8.0810      0.00000
      8       9.4705      0.00000
      9      10.7459      0.00000
     10      11.2804      0.00000
     11      12.1883      0.00000
     12      12.6774      0.00000

 k-point   309 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1230      2.00000
      2       1.6154      2.00000
      3       3.9932      2.00000
      4       4.8362      2.00000
      5       6.4465      0.27173
      6       7.5390      0.00001
      7       9.2538      0.00000
      8       9.4301      0.00000
      9       9.9621      0.00000
     10      10.6551      0.00000
     11      11.9085      0.00000
     12      12.2653      0.00000

 k-point   310 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0733      2.00000
      2       1.6579      2.00000
      3       3.9313      2.00000
      4       4.3243      2.00000
      5       7.0304      0.00092
      6       7.6531      0.00000
      7       8.8426      0.00000
      8       9.3420      0.00000
      9       9.9908      0.00000
     10      11.0493      0.00000
     11      11.2956      0.00000
     12      12.6228      0.00000

 k-point   311 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9248      2.00000
      2       1.7735      2.00000
      3       3.1473      2.00000
      4       4.2637      2.00000
      5       7.2323      0.00012
      6       8.0793      0.00000
      7       8.6070      0.00000
      8       9.5003      0.00000
      9       9.8019      0.00000
     10      10.6199      0.00000
     11      11.5543      0.00000
     12      13.2185      0.00000

 k-point   312 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.6804      2.00000
      2       1.7982      2.00000
      3       2.3815      2.00000
      4       4.4721      2.00000
      5       6.6126      0.05801
      6       8.0681      0.00000
      7       8.9603      0.00000
      8       9.5817      0.00000
      9      10.0418      0.00000
     10      10.7418      0.00000
     11      11.7234      0.00000
     12      12.7644      0.00000

 k-point   313 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3475      2.00000
      2       1.1329      2.00000
      3       2.4619      2.00000
      4       4.7608      2.00000
      5       5.8320      1.97309
      6       8.0835      0.00000
      7       8.4068      0.00000
      8       9.9721      0.00000
      9      10.5192      0.00000
     10      11.5103      0.00000
     11      11.7070      0.00000
     12      12.6772      0.00000

 k-point   314 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9485      2.00000
      2       0.3778      2.00000
      3       2.8118      2.00000
      4       4.9047      2.00000
      5       5.3321      1.99982
      6       7.4038      0.00002
      7       8.6971      0.00000
      8      10.3421      0.00000
      9      10.5285      0.00000
     10      11.3308      0.00000
     11      12.3763      0.00000
     12      12.7094      0.00000

 k-point   315 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.5789      2.00000
      2      -0.1781      2.00000
      3       3.1518      2.00000
      4       4.4899      2.00000
      5       5.5649      1.99811
      6       6.8800      0.00411
      7       9.0079      0.00000
      8      10.1864      0.00000
      9      10.7318      0.00000
     10      11.4097      0.00000
     11      12.1510      0.00000
     12      12.6879      0.00000

 k-point   316 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9616      2.00000
      2       1.6637      2.00000
      3       3.0220      2.00000
      4       4.9968      1.99999
      5       6.6168      0.05566
      6       8.4195      0.00000
      7       8.7130      0.00000
      8       9.5133      0.00000
      9      10.1298      0.00000
     10      10.7922      0.00000
     11      11.1538      0.00000
     12      12.4191      0.00000

 k-point   317 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9117      2.00000
      2       1.7096      2.00000
      3       3.0437      2.00000
      4       4.3949      2.00000
      5       7.2700      0.00008
      6       8.4789      0.00000
      7       8.5191      0.00000
      8       9.2238      0.00000
      9       9.8512      0.00000
     10      10.6500      0.00000
     11      11.6707      0.00000
     12      12.7893      0.00000

 k-point   318 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7629      2.00000
      2       1.8395      2.00000
      3       2.9718      2.00000
      4       3.6044      2.00000
      5       7.6677      0.00000
      6       8.1688      0.00000
      7       8.8352      0.00000
      8       9.0239      0.00000
      9       9.4132      0.00000
     10      10.7513      0.00000
     11      12.2734      0.00000
     12      13.4528      0.00000

 k-point   319 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5178      2.00000
      2       1.9292      2.00000
      3       2.3931      2.00000
      4       3.5560      2.00000
      5       6.7682      0.01252
      6       7.9743      0.00000
      7       8.7874      0.00000
      8       9.2646      0.00000
      9      10.2193      0.00000
     10      11.0812      0.00000
     11      12.5878      0.00000
     12      13.5003      0.00000

 k-point   320 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.1837      2.00000
      2       1.2806      2.00000
      3       2.5003      2.00000
      4       3.8015      2.00000
      5       5.8993      1.94793
      6       7.2270      0.00013
      7       9.0822      0.00000
      8       9.5994      0.00000
      9      10.8488      0.00000
     10      12.0438      0.00000
     11      12.6029      0.00000
     12      12.7231      0.00000

 k-point   321 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.7819      2.00000
      2       0.5239      2.00000
      3       2.8766      2.00000
      4       4.1107      2.00000
      5       5.1365      1.99997
      6       6.5572      0.09879
      7       9.4450      0.00000
      8       9.9786      0.00000
      9      11.1450      0.00000
     10      11.8103      0.00000
     11      12.1701      0.00000
     12      13.3331      0.00000

 k-point   322 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4068      2.00000
      2      -0.0368      2.00000
      3       3.2456      2.00000
      4       4.3400      2.00000
      5       4.6102      2.00000
      6       6.1122      1.63297
      7       9.7444      0.00000
      8      10.3675      0.00000
      9      11.2040      0.00000
     10      11.3568      0.00000
     11      11.7463      0.00000
     12      13.5299      0.00000

 k-point   323 :       0.0000   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6897      2.00000
      2      -0.1803      2.00000
      3       3.2050      2.00000
      4       4.4272      2.00000
      5       6.3314      0.66379
      6       7.5528      0.00000
      7       7.9985      0.00000
      8       9.5276      0.00000
      9      11.0252      0.00000
     10      11.0728      0.00000
     11      12.2698      0.00000
     12      12.5638      0.00000

 k-point   324 :       0.0769   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6375      2.00000
      2      -0.1354      2.00000
      3       3.2558      2.00000
      4       4.4308      2.00000
      5       5.6699      1.99462
      6       7.0675      0.00063
      7       8.7611      0.00000
      8      10.0604      0.00000
      9      10.3564      0.00000
     10      11.1050      0.00000
     11      11.8081      0.00000
     12      13.2945      0.00000

 k-point   325 :       0.1538   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4814      2.00000
      2      -0.0023      2.00000
      3       3.4076      2.00000
      4       4.3613      2.00000
      5       4.6806      2.00000
      6       6.2788      0.91365
      7       9.3029      0.00000
      8      10.0741      0.00000
      9      10.7506      0.00000
     10      10.9261      0.00000
     11      11.7216      0.00000
     12      13.7448      0.00000

 k-point   326 :       0.2308   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2227      2.00000
      2       0.2141      2.00000
      3       3.5413      2.00000
      4       3.6620      2.00000
      5       4.3147      2.00000
      6       5.6872      1.99361
      7       8.2962      0.00000
      8       9.9968      0.00000
      9      11.3041      0.00000
     10      11.6005      0.00000
     11      12.6005      0.00000
     12      14.1775      0.00000

 k-point   327 :       0.3077   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8651      2.00000
      2       0.5005      2.00000
      3       2.6086      2.00000
      4       3.8149      2.00000
      5       4.0461      2.00000
      6       5.5105      1.99891
      7       7.3636      0.00003
      8       9.3151      0.00000
      9      11.7010      0.00000
     10      12.9800      0.00000
     11      13.5310      0.00000
     12      14.7193      0.00000

 k-point   328 :       0.3846   -0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.4194      2.00000
      2       0.8196      2.00000
      3       1.7755      2.00000
      4       3.2730      2.00000
      5       4.4685      2.00000
      6       5.5759      1.99790
      7       6.5283      0.12978
      8       8.7842      0.00000
      9      12.1025      0.00000
     10      13.6476      0.00000
     11      14.2391      0.00000
     12      14.8143      0.00000

 k-point   329 :       0.4615   -0.4615    0.2308
  band No.  band energies     occupation 
      1       0.0512      2.00000
      2       0.9708      2.00000
      3       1.2201      2.00000
      4       2.8672      2.00000
      5       4.9603      2.00000
      6       5.6647      1.99489
      7       5.8385      1.97130
      8       8.4829      0.00000
      9      12.4889      0.00000
     10      13.4604      0.00000
     11      14.2053      0.00000
     12      15.9517      0.00000

 k-point   330 :       0.0000   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0739      2.00000
      2       0.4250      2.00000
      3       2.9628      2.00000
      4       4.7663      2.00000
      5       5.8965      1.94935
      6       7.6983      0.00000
      7       8.2164      0.00000
      8       9.8420      0.00000
      9      10.7862      0.00000
     10      10.9373      0.00000
     11      12.3333      0.00000
     12      12.6096      0.00000

 k-point   331 :       0.0769   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0231      2.00000
      2       0.4709      2.00000
      3       3.0080      2.00000
      4       4.7247      2.00000
      5       5.3516      1.99978
      6       7.6462      0.00000
      7       8.4234      0.00000
      8      10.1092      0.00000
      9      10.3118      0.00000
     10      11.1487      0.00000
     11      12.1217      0.00000
     12      12.9658      0.00000

 k-point   332 :       0.1538   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8711      2.00000
      2       0.6072      2.00000
      3       3.1370      2.00000
      4       4.1365      2.00000
      5       4.9933      1.99999
      6       6.7709      0.01218
      7       9.1283      0.00000
      8       9.6670      0.00000
      9      10.6486      0.00000
     10      11.1867      0.00000
     11      12.1913      0.00000
     12      13.4738      0.00000

 k-point   333 :       0.2308   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6202      2.00000
      2       0.8268      2.00000
      3       3.0965      2.00000
      4       3.4486      2.00000
      5       4.9358      2.00000
      6       6.0290      1.82178
      7       8.1559      0.00000
      8      10.1984      0.00000
      9      10.8553      0.00000
     10      11.4086      0.00000
     11      13.2656      0.00000
     12      13.7082      0.00000

 k-point   334 :       0.3077   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2758      2.00000
      2       1.1040      2.00000
      3       2.2689      2.00000
      4       3.6558      2.00000
      5       4.6068      2.00000
      6       5.7531      1.98768
      7       7.2728      0.00008
      8       9.5226      0.00000
      9      11.3224      0.00000
     10      12.7219      0.00000
     11      13.8882      0.00000
     12      14.0711      0.00000

 k-point   335 :       0.3846   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.8549      2.00000
      2       1.1950      2.00000
      3       1.7348      2.00000
      4       3.6572      2.00000
      5       4.3906      2.00000
      6       5.7923      1.98183
      7       6.5394      0.11690
      8       8.9733      0.00000
      9      11.7092      0.00000
     10      13.4935      0.00000
     11      14.1896      0.00000
     12      14.4832      0.00000

 k-point   336 :       0.4615   -0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.4399      2.00000
      2       0.7277      2.00000
      3       1.9060      2.00000
      4       3.3096      2.00000
      5       4.6496      2.00000
      6       5.6898      1.99344
      7       6.1833      1.37235
      8       8.6547      0.00000
      9      12.0591      0.00000
     10      13.1386      0.00000
     11      14.5730      0.00000
     12      14.9251      0.00000

 k-point   337 :       0.0000   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4644      2.00000
      2       1.2145      2.00000
      3       2.5954      2.00000
      4       5.4086      1.99960
      5       5.4911      1.99910
      6       7.3926      0.00002
      7       9.0471      0.00000
      8       9.9751      0.00000
      9      10.3884      0.00000
     10      11.0637      0.00000
     11      11.4227      0.00000
     12      12.5238      0.00000

 k-point   338 :       0.0769   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4142      2.00000
      2       1.2612      2.00000
      3       2.6347      2.00000
      4       4.7943      2.00000
      5       5.5728      1.99796
      6       8.0265      0.00000
      7       8.4533      0.00000
      8       9.7618      0.00000
      9      10.2016      0.00000
     10      11.5226      0.00000
     11      11.7413      0.00000
     12      12.6636      0.00000

 k-point   339 :       0.1538   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2642      2.00000
      2       1.3985      2.00000
      3       2.7378      2.00000
      4       3.8418      2.00000
      5       5.6604      1.99511
      6       7.4643      0.00001
      7       8.7981      0.00000
      8       9.3028      0.00000
      9      10.4218      0.00000
     10      11.5701      0.00000
     11      12.1298      0.00000
     12      12.8371      0.00000

 k-point   340 :       0.2308   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.0169      2.00000
      2       1.6072      2.00000
      3       2.6503      2.00000
      4       3.1860      2.00000
      5       5.7266      1.99054
      6       6.5901      0.07209
      7       7.9179      0.00000
      8      10.4445      0.00000
      9      10.6314      0.00000
     10      11.1474      0.00000
     11      12.2991      0.00000
     12      13.8756      0.00000

 k-point   341 :       0.3077   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6787      2.00000
      2       1.6261      2.00000
      3       2.1685      2.00000
      4       3.3445      2.00000
      5       5.3956      1.99965
      6       6.1662      1.44348
      7       7.1981      0.00017
      8      10.0193      0.00000
      9      10.9864      0.00000
     10      12.0213      0.00000
     11      12.8416      0.00000
     12      13.9988      0.00000

 k-point   342 :       0.3846   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2693      2.00000
      2       0.9751      2.00000
      3       2.4258      2.00000
      4       3.6378      2.00000
      5       4.7389      2.00000
      6       5.9416      1.92157
      7       6.8894      0.00374
      8       9.4463      0.00000
      9      11.3582      0.00000
     10      12.4739      0.00000
     11      13.4613      0.00000
     12      14.2162      0.00000

 k-point   343 :       0.4615   -0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8783      2.00000
      2       0.4107      2.00000
      3       2.7598      2.00000
      4       3.8250      2.00000
      5       4.2938      2.00000
      6       5.6176      1.99681
      7       6.9253      0.00262
      8       9.0923      0.00000
      9      11.6966      0.00000
     10      12.5958      0.00000
     11      13.0932      0.00000
     12      14.7751      0.00000

 k-point   344 :       0.0000   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7846      2.00000
      2       1.9563      2.00000
      3       2.4276      2.00000
      4       5.1688      1.99996
      5       6.1234      1.59841
      6       7.1930      0.00018
      7       9.6197      0.00000
      8       9.8994      0.00000
      9      10.1231      0.00000
     10      10.2478      0.00000
     11      11.4067      0.00000
     12      12.4430      0.00000

 k-point   345 :       0.0769   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7347      2.00000
      2       2.0085      2.00000
      3       2.4557      2.00000
      4       4.5364      2.00000
      5       6.3140      0.74318
      6       7.7614      0.00000
      7       9.1478      0.00000
      8       9.4977      0.00000
      9       9.7504      0.00000
     10      10.5457      0.00000
     11      12.1288      0.00000
     12      12.8373      0.00000

 k-point   346 :       0.1538   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5856      2.00000
      2       2.1649      2.00000
      3       2.5042      2.00000
      4       3.5973      2.00000
      5       6.4691      0.22290
      6       8.1129      0.00000
      7       8.6347      0.00000
      8       8.9812      0.00000
      9       9.8865      0.00000
     10      10.7343      0.00000
     11      12.6813      0.00000
     12      13.2509      0.00000

 k-point   347 :       0.2308   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3401      2.00000
      2       2.2309      2.00000
      3       2.4252      2.00000
      4       3.0729      2.00000
      5       6.5795      0.07985
      6       7.0900      0.00050
      7       7.9261      0.00000
      8      10.1294      0.00000
      9      10.1700      0.00000
     10      10.9443      0.00000
     11      11.9935      0.00000
     12      13.8610      0.00000

 k-point   348 :       0.3077   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0051      2.00000
      2       1.4584      2.00000
      3       2.7879      2.00000
      4       3.1879      2.00000
      5       6.1412      1.53813
      6       6.4719      0.21733
      7       7.5441      0.00001
      8      10.4743      0.00000
      9      10.5277      0.00000
     10      11.0851      0.00000
     11      12.4328      0.00000
     12      13.4498      0.00000

 k-point   349 :       0.3846   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.6019      2.00000
      2       0.6972      2.00000
      3       3.2506      2.00000
      4       3.4307      2.00000
      5       5.2838      1.99989
      6       6.0705      1.74204
      7       7.6224      0.00000
      8      10.0765      0.00000
      9      10.9151      0.00000
     10      11.2137      0.00000
     11      12.7571      0.00000
     12      13.8452      0.00000

 k-point   350 :       0.4615   -0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.2238      2.00000
      2       0.1334      2.00000
      3       3.6245      2.00000
      4       3.7964      2.00000
      5       4.5400      2.00000
      6       5.7465      1.98847
      7       7.7967      0.00000
      8       9.7072      0.00000
      9      11.3172      0.00000
     10      11.4410      0.00000
     11      12.0818      0.00000
     12      13.9194      0.00000

 k-point   351 :       0.0000   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -3.0153      2.00000
      2       1.8859      2.00000
      3       3.2291      2.00000
      4       4.9399      2.00000
      5       6.5168      0.14439
      6       7.4206      0.00002
      7       8.4689      0.00000
      8       9.7201      0.00000
      9       9.9550      0.00000
     10      11.0741      0.00000
     11      11.4816      0.00000
     12      12.7357      0.00000

 k-point   352 :       0.0769   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9656      2.00000
      2       1.9296      2.00000
      3       3.2524      2.00000
      4       4.3356      2.00000
      5       7.0485      0.00076
      6       7.6149      0.00000
      7       8.4508      0.00000
      8       9.2118      0.00000
      9       9.9376      0.00000
     10      10.6115      0.00000
     11      12.1174      0.00000
     12      13.2506      0.00000

 k-point   353 :       0.1538   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.8170      2.00000
      2       2.0477      2.00000
      3       3.1044      2.00000
      4       3.6311      2.00000
      5       7.3314      0.00005
      6       7.9964      0.00000
      7       8.4615      0.00000
      8       9.0428      0.00000
      9       9.3626      0.00000
     10      10.4633      0.00000
     11      13.0730      0.00000
     12      13.5416      0.00000

 k-point   354 :       0.2308   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5724      2.00000
      2       2.0004      2.00000
      3       2.5310      2.00000
      4       3.7125      2.00000
      5       6.9472      0.00210
      6       7.6636      0.00000
      7       8.4856      0.00000
      8       8.9488      0.00000
      9       9.9606      0.00000
     10      10.8052      0.00000
     11      12.6250      0.00000
     12      13.1739      0.00000

 k-point   355 :       0.3077   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.2392      2.00000
      2       1.2485      2.00000
      3       2.7176      2.00000
      4       3.9780      2.00000
      5       6.1379      1.54957
      6       7.3639      0.00003
      7       8.2571      0.00000
      8       9.2245      0.00000
      9      10.4588      0.00000
     10      11.5722      0.00000
     11      12.1311      0.00000
     12      12.6126      0.00000

 k-point   356 :       0.3846   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.8394      2.00000
      2       0.4856      2.00000
      3       3.0863      2.00000
      4       4.2872      2.00000
      5       5.4074      1.99961
      6       6.7605      0.01352
      7       8.5038      0.00000
      8       9.5609      0.00000
      9      10.7037      0.00000
     10      10.9648      0.00000
     11      11.9110      0.00000
     12      13.5223      0.00000

 k-point   357 :       0.4615   -0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4685      2.00000
      2      -0.0729      2.00000
      3       3.4377      2.00000
      4       4.4837      2.00000
      5       4.9423      2.00000
      6       6.3229      0.70238
      7       8.7588      0.00000
      8       9.8956      0.00000
      9      10.4056      0.00000
     10      10.9103      0.00000
     11      11.4551      0.00000
     12      13.4626      0.00000

 k-point   358 :       0.0000   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1501      2.00000
      2       1.7183      2.00000
      3       4.2263      2.00000
      4       4.8076      2.00000
      5       6.3298      0.67093
      6       7.3250      0.00005
      7       8.3516      0.00000
      8       9.5311      0.00000
      9       9.8732      0.00000
     10      11.2413      0.00000
     11      12.2253      0.00000
     12      12.8798      0.00000

 k-point   359 :       0.0769   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1004      2.00000
      2       1.7597      2.00000
      3       4.0789      2.00000
      4       4.3708      2.00000
      5       6.8525      0.00541
      6       7.5332      0.00001
      7       8.3296      0.00000
      8       9.0476      0.00000
      9       9.9678      0.00000
     10      11.4806      0.00000
     11      11.7628      0.00000
     12      13.0618      0.00000

 k-point   360 :       0.1538   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9520      2.00000
      2       1.8695      2.00000
      3       3.1529      2.00000
      4       4.4514      2.00000
      5       7.1207      0.00037
      6       7.9352      0.00000
      7       8.3485      0.00000
      8       8.9327      0.00000
      9      10.0045      0.00000
     10      10.5829      0.00000
     11      12.3735      0.00000
     12      13.0614      0.00000

 k-point   361 :       0.2308   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.7079      2.00000
      2       1.8335      2.00000
      3       2.4341      2.00000
      4       4.6656      2.00000
      5       6.7183      0.02053
      6       7.7422      0.00000
      7       8.6891      0.00000
      8       9.4456      0.00000
      9       9.8320      0.00000
     10      10.5993      0.00000
     11      12.1133      0.00000
     12      13.0788      0.00000

 k-point   362 :       0.3077   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3754      2.00000
      2       1.1173      2.00000
      3       2.5603      2.00000
      4       4.9298      2.00000
      5       6.0009      1.86250
      6       7.9664      0.00000
      7       8.3827      0.00000
      8       9.2052      0.00000
      9      10.2161      0.00000
     10      11.4658      0.00000
     11      11.8279      0.00000
     12      12.6938      0.00000

 k-point   363 :       0.3846   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9773      2.00000
      2       0.3587      2.00000
      3       2.9107      2.00000
      4       4.9483      2.00000
      5       5.6460      1.99576
      6       7.6390      0.00000
      7       8.3428      0.00000
      8       9.4673      0.00000
      9      10.1751      0.00000
     10      11.1748      0.00000
     11      11.9749      0.00000
     12      13.1831      0.00000

 k-point   364 :       0.4615   -0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.6099      2.00000
      2      -0.1962      2.00000
      3       3.2484      2.00000
      4       4.5542      2.00000
      5       5.8819      1.95605
      6       7.1013      0.00045
      7       8.6402      0.00000
      8       9.7120      0.00000
      9       9.9074      0.00000
     10      11.2029      0.00000
     11      11.4766      0.00000
     12      13.1998      0.00000

 k-point   365 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8573      2.00000
      2       0.7207      2.00000
      3       5.0689      1.99999
      4       5.1099      1.99998
      5       6.4070      0.37827
      6       7.2208      0.00014
      7       8.3245      0.00000
      8       8.4970      0.00000
      9       9.8025      0.00000
     10      11.2646      0.00000
     11      12.0440      0.00000
     12      13.3808      0.00000

 k-point   366 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8072      2.00000
      2       0.7643      2.00000
      3       4.4467      2.00000
      4       5.1247      1.99998
      5       6.6917      0.02672
      6       7.5928      0.00000
      7       7.9817      0.00000
      8       8.4669      0.00000
      9      10.2443      0.00000
     10      11.3584      0.00000
     11      12.1030      0.00000
     12      12.4198      0.00000

 k-point   367 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6575      2.00000
      2       0.8914      2.00000
      3       3.4327      2.00000
      4       5.2705      1.99990
      5       6.4685      0.22410
      6       7.4548      0.00001
      7       8.5502      0.00000
      8       8.8660      0.00000
      9      10.7722      0.00000
     10      11.1411      0.00000
     11      11.6098      0.00000
     12      12.5515      0.00000

 k-point   368 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.4110      2.00000
      2       1.0803      2.00000
      3       2.4709      2.00000
      4       5.5121      1.99889
      5       5.7198      1.99116
      6       7.5401      0.00001
      7       8.8015      0.00000
      8      10.0367      0.00000
      9      10.1827      0.00000
     10      11.1989      0.00000
     11      11.4874      0.00000
     12      12.6200      0.00000

 k-point   369 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.0743      2.00000
      2       1.1397      2.00000
      3       1.8020      2.00000
      4       4.9187      2.00000
      5       5.8463      1.96901
      6       7.8054      0.00000
      7       9.0560      0.00000
      8       9.2843      0.00000
      9      10.5828      0.00000
     10      11.3609      0.00000
     11      11.9942      0.00000
     12      12.5638      0.00000

 k-point   370 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.6681      2.00000
      2       0.5831      2.00000
      3       1.9196      2.00000
      4       4.2127      2.00000
      5       6.2591      1.01196
      6       8.1333      0.00000
      7       8.4091      0.00000
      8       9.4906      0.00000
      9      10.1993      0.00000
     10      11.5841      0.00000
     11      11.9537      0.00000
     12      12.5418      0.00000

 k-point   371 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.2847      2.00000
      2       0.0364      2.00000
      3       2.1967      2.00000
      4       3.7249      2.00000
      5       6.6778      0.03064
      6       7.7820      0.00000
      7       8.4455      0.00000
      8       9.7086      0.00000
      9       9.9035      0.00000
     10      11.3621      0.00000
     11      11.8520      0.00000
     12      12.8288      0.00000

 k-point   372 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       0.7204      2.00000
      3       4.2774      2.00000
      4       5.1775      1.99996
      5       6.7330      0.01776
      6       7.7828      0.00000
      7       8.3575      0.00000
      8       8.5013      0.00000
      9       9.8246      0.00000
     10      11.3667      0.00000
     11      11.9607      0.00000
     12      12.1741      0.00000

 k-point   373 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7398      2.00000
      2       0.7645      2.00000
      3       4.2453      2.00000
      4       4.6181      2.00000
      5       7.3029      0.00006
      6       7.6335      0.00000
      7       8.1599      0.00000
      8       8.5582      0.00000
      9      10.2580      0.00000
     10      11.2214      0.00000
     11      11.6154      0.00000
     12      12.3682      0.00000

 k-point   374 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.5900      2.00000
      2       0.8934      2.00000
      3       3.4652      2.00000
      4       4.5245      2.00000
      5       6.7161      0.02099
      6       8.1084      0.00000
      7       8.3076      0.00000
      8       9.1398      0.00000
      9      10.3048      0.00000
     10      10.8303      0.00000
     11      11.8463      0.00000
     12      12.8408      0.00000

 k-point   375 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3431      2.00000
      2       1.0877      2.00000
      3       2.5154      2.00000
      4       4.7175      2.00000
      5       5.8498      1.96794
      6       8.3580      0.00000
      7       8.6023      0.00000
      8       9.4175      0.00000
      9      10.2798      0.00000
     10      11.2776      0.00000
     11      11.9824      0.00000
     12      13.0112      0.00000

 k-point   376 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0058      2.00000
      2       1.1777      2.00000
      3       1.8219      2.00000
      4       4.7752      2.00000
      5       5.2682      1.99990
      6       8.3572      0.00000
      7       8.7131      0.00000
      8       9.0945      0.00000
      9      11.0164      0.00000
     10      11.8708      0.00000
     11      12.0998      0.00000
     12      12.4683      0.00000

 k-point   377 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.5984      2.00000
      2       0.6421      2.00000
      3       1.9219      2.00000
      4       4.1915      2.00000
      5       5.5109      1.99890
      6       7.6740      0.00000
      7       9.0609      0.00000
      8       9.4302      0.00000
      9      10.9453      0.00000
     10      11.7118      0.00000
     11      11.8787      0.00000
     12      12.6797      0.00000

 k-point   378 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2122      2.00000
      2       0.0940      2.00000
      3       2.2020      2.00000
      4       3.7115      2.00000
      5       5.8516      1.96736
      6       7.1395      0.00031
      7       9.3821      0.00000
      8       9.7932      0.00000
      9      10.5528      0.00000
     10      11.2479      0.00000
     11      11.9405      0.00000
     12      12.9572      0.00000

 k-point   379 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6234      2.00000
      2       0.8005      2.00000
      3       3.2715      2.00000
      4       5.3422      1.99980
      5       6.6137      0.05739
      6       7.8164      0.00000
      7       8.6006      0.00000
      8       8.9451      0.00000
      9      10.4830      0.00000
     10      11.0542      0.00000
     11      11.5265      0.00000
     12      12.1732      0.00000

 k-point   380 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.5731      2.00000
      2       0.8459      2.00000
      3       3.3022      2.00000
      4       4.7066      2.00000
      5       7.0205      0.00101
      6       7.8591      0.00000
      7       8.2393      0.00000
      8       9.2511      0.00000
      9      10.3474      0.00000
     10      10.9135      0.00000
     11      11.7814      0.00000
     12      12.4903      0.00000

 k-point   381 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4230      2.00000
      2       0.9791      2.00000
      3       3.2951      2.00000
      4       3.8361      2.00000
      5       6.8187      0.00757
      6       7.5034      0.00001
      7       9.1166      0.00000
      8       9.3369      0.00000
      9       9.6677      0.00000
     10      11.5952      0.00000
     11      12.0223      0.00000
     12      12.9692      0.00000

 k-point   382 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.1756      2.00000
      2       1.1843      2.00000
      3       2.6130      2.00000
      4       3.7602      2.00000
      5       5.9446      1.91928
      6       7.6415      0.00000
      7       8.5351      0.00000
      8       9.6410      0.00000
      9      10.6969      0.00000
     10      12.0204      0.00000
     11      12.1429      0.00000
     12      12.8550      0.00000

 k-point   383 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.8372      2.00000
      2       1.3167      2.00000
      3       1.9095      2.00000
      4       3.9929      2.00000
      5       5.1327      1.99997
      6       7.3649      0.00003
      7       8.2737      0.00000
      8       9.9791      0.00000
      9      11.6343      0.00000
     10      11.9376      0.00000
     11      12.4112      0.00000
     12      12.8438      0.00000

 k-point   384 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.4274      2.00000
      2       0.7974      2.00000
      3       2.0083      2.00000
      4       4.0737      2.00000
      5       4.6586      2.00000
      6       6.7322      0.01789
      7       8.5293      0.00000
      8      10.3319      0.00000
      9      11.0192      0.00000
     10      12.1788      0.00000
     11      12.8028      0.00000
     12      13.0452      0.00000

 k-point   385 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.0358      2.00000
      2       0.2434      2.00000
      3       2.3061      2.00000
      4       3.7173      2.00000
      5       4.8045      2.00000
      6       6.2597      1.00871
      7       8.7921      0.00000
      8      10.4298      0.00000
      9      10.8204      0.00000
     10      11.8448      0.00000
     11      13.0571      0.00000
     12      13.2004      0.00000

 k-point   386 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3604      2.00000
      2       0.9308      2.00000
      3       2.3477      2.00000
      4       5.6026      1.99725
      5       5.9961      1.86855
      6       7.7344      0.00000
      7       8.7870      0.00000
      8       9.9879      0.00000
      9      10.0444      0.00000
     10      11.1495      0.00000
     11      11.4198      0.00000
     12      12.7293      0.00000

 k-point   387 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3100      2.00000
      2       0.9789      2.00000
      3       2.3847      2.00000
      4       4.9139      2.00000
      5       6.2379      1.11753
      6       8.0724      0.00000
      7       8.3763      0.00000
      8       9.4586      0.00000
      9      10.4459      0.00000
     10      11.4971      0.00000
     11      11.8403      0.00000
     12      12.9138      0.00000

 k-point   388 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1595      2.00000
      2       1.1212      2.00000
      3       2.4832      2.00000
      4       3.9423      2.00000
      5       6.3538      0.56864
      6       7.1941      0.00018
      7       8.5114      0.00000
      8       9.5502      0.00000
      9      10.8298      0.00000
     10      12.1559      0.00000
     11      12.3375      0.00000
     12      12.7039      0.00000

 k-point   389 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.9111      2.00000
      2       1.3475      2.00000
      3       2.5077      2.00000
      4       3.1510      2.00000
      5       6.0076      1.85369
      6       6.6668      0.03414
      7       7.7559      0.00000
      8      10.8476      0.00000
      9      11.1043      0.00000
     10      11.6558      0.00000
     11      12.7835      0.00000
     12      13.1014      0.00000

 k-point   390 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.5709      2.00000
      2       1.5518      2.00000
      3       2.0161      2.00000
      4       3.1282      2.00000
      5       5.1910      1.99996
      6       6.3776      0.47686
      7       7.4389      0.00002
      8      10.7079      0.00000
      9      11.4754      0.00000
     10      12.3850      0.00000
     11      13.1906      0.00000
     12      13.5494      0.00000

 k-point   391 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.1574      2.00000
      2       1.0446      2.00000
      3       2.1581      2.00000
      4       3.3919      2.00000
      5       4.4346      2.00000
      6       5.8565      1.96573
      7       7.5769      0.00000
      8      10.0890      0.00000
      9      11.8759      0.00000
     10      13.0880      0.00000
     11      13.6606      0.00000
     12      14.1064      0.00000

 k-point   392 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.7569      2.00000
      2       0.4800      2.00000
      3       2.5034      2.00000
      4       3.6075      2.00000
      5       3.9009      2.00000
      6       5.4671      1.99929
      7       7.7691      0.00000
      8       9.6855      0.00000
      9      12.2674      0.00000
     10      13.1411      0.00000
     11      13.5464      0.00000
     12      14.3225      0.00000

 k-point   393 :       0.0000   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.3457      2.00000
      2       0.1101      2.00000
      3       2.2380      2.00000
      4       3.6450      2.00000
      5       6.6480      0.04107
      6       7.9043      0.00000
      7       8.3423      0.00000
      8       9.8627      0.00000
      9      10.0999      0.00000
     10      11.3299      0.00000
     11      11.6931      0.00000
     12      12.5024      0.00000

 k-point   394 :       0.0769   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2937      2.00000
      2       0.1568      2.00000
      3       2.2894      2.00000
      4       3.6626      2.00000
      5       5.9899      1.87594
      6       7.3699      0.00003
      7       9.0850      0.00000
      8       9.4400      0.00000
      9      10.3615      0.00000
     10      11.0473      0.00000
     11      12.4265      0.00000
     12      12.6151      0.00000

 k-point   395 :       0.1538   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1381      2.00000
      2       0.2957      2.00000
      3       2.4431      2.00000
      4       3.7030      2.00000
      5       4.9505      2.00000
      6       6.4682      0.22475
      7       8.3817      0.00000
      8      10.0012      0.00000
      9      10.4711      0.00000
     10      11.7523      0.00000
     11      12.8008      0.00000
     12      13.7182      0.00000

 k-point   396 :       0.2308   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8804      2.00000
      2       0.5225      2.00000
      3       2.6978      2.00000
      4       3.6586      2.00000
      5       4.0116      2.00000
      6       5.6168      1.99683
      7       7.3648      0.00003
      8       9.3235      0.00000
      9      11.8893      0.00000
     10      12.7676      0.00000
     11      13.3293      0.00000
     12      15.0507      0.00000

 k-point   397 :       0.3077   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.5241      2.00000
      2       0.8257      2.00000
      3       2.9237      2.00000
      4       3.0489      2.00000
      5       3.7277      2.00000
      6       4.9929      1.99999
      7       6.4255      0.32483
      8       8.6942      0.00000
      9      13.1462      0.00000
     10      13.5083      0.00000
     11      14.4505      0.00000
     12      15.6834      0.00000

 k-point   398 :       0.3846   -0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0802      2.00000
      2       1.1711      2.00000
      3       2.1055      2.00000
      4       3.3283      2.00000
      5       3.5482      2.00000
      6       4.7476      2.00000
      7       5.5841      1.99772
      8       8.2188      0.00000
      9      13.6050      0.00000
     10      14.8943      0.00000
     11      15.2835      0.00000
     12      15.6214      0.00000

 k-point   399 :       0.4615   -0.4615    0.3077
  band No.  band energies     occupation 
      1       0.3878      2.00000
      2       1.3273      2.00000
      3       1.5877      2.00000
      4       2.9875      2.00000
      5       4.0149      2.00000
      6       4.7217      2.00000
      7       4.8874      2.00000
      8       7.9582      0.00000
      9      14.0030      0.00000
     10      14.9065      0.00000
     11      15.6949      0.00000
     12      16.2260      0.00000

 k-point   400 :       0.0000   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.7481      2.00000
      2       0.7330      2.00000
      3       2.0170      2.00000
      4       3.9827      2.00000
      5       6.2114      1.24551
      6       8.0145      0.00000
      7       8.5767      0.00000
      8       9.8352      0.00000
      9      10.3194      0.00000
     10      11.5852      0.00000
     11      11.7098      0.00000
     12      12.1803      0.00000

 k-point   401 :       0.0769   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6972      2.00000
      2       0.7812      2.00000
      3       2.0636      2.00000
      4       3.9961      2.00000
      5       5.6066      1.99714
      6       7.9770      0.00000
      7       8.7319      0.00000
      8       9.2120      0.00000
      9      10.9332      0.00000
     10      11.2750      0.00000
     11      12.2216      0.00000
     12      12.3710      0.00000

 k-point   402 :       0.1538   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5451      2.00000
      2       0.9243      2.00000
      3       2.2014      2.00000
      4       3.9731      2.00000
      5       4.6948      2.00000
      6       7.0134      0.00108
      7       8.2268      0.00000
      8       9.9142      0.00000
      9      10.4788      0.00000
     10      12.0377      0.00000
     11      12.6978      0.00000
     12      13.3930      0.00000

 k-point   403 :       0.2308   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2937      2.00000
      2       1.1570      2.00000
      3       2.4183      2.00000
      4       3.4339      2.00000
      5       4.3559      2.00000
      6       6.0720      1.73858
      7       7.2670      0.00009
      8       9.5568      0.00000
      9      11.4909      0.00000
     10      12.5421      0.00000
     11      13.7603      0.00000
     12      14.0020      0.00000

 k-point   404 :       0.3077   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.9484      2.00000
      2       1.4577      2.00000
      3       2.4665      2.00000
      4       2.8501      2.00000
      5       4.3625      2.00000
      6       5.2807      1.99989
      7       6.4005      0.39884
      8       8.9035      0.00000
      9      12.7162      0.00000
     10      13.1642      0.00000
     11      14.3289      0.00000
     12      14.9317      0.00000

 k-point   405 :       0.3846   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.5250      2.00000
      2       1.5519      2.00000
      3       2.0298      2.00000
      4       3.1287      2.00000
      5       4.1170      2.00000
      6       4.8898      2.00000
      7       5.6888      1.99351
      8       8.4025      0.00000
      9      13.2067      0.00000
     10      14.2533      0.00000
     11      14.9716      0.00000
     12      15.1542      0.00000

 k-point   406 :       0.4615   -0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.1037      2.00000
      2       1.0428      2.00000
      3       2.2823      2.00000
      4       3.3510      2.00000
      5       3.7748      2.00000
      6       4.7701      2.00000
      7       5.2912      1.99988
      8       8.1245      0.00000
      9      13.5851      0.00000
     10      14.4528      0.00000
     11      14.8730      0.00000
     12      16.2826      0.00000

 k-point   407 :       0.0000   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.1431      2.00000
      2       1.3615      2.00000
      3       1.8471      2.00000
      4       4.6260      2.00000
      5       5.8098      1.97839
      6       7.6768      0.00000
      7       9.3388      0.00000
      8       9.5050      0.00000
      9      10.7006      0.00000
     10      11.3519      0.00000
     11      11.6736      0.00000
     12      12.4311      0.00000

 k-point   408 :       0.0769   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0926      2.00000
      2       1.4140      2.00000
      3       1.8853      2.00000
      4       4.5881      2.00000
      5       5.2872      1.99988
      6       8.3418      0.00000
      7       8.6267      0.00000
      8       9.0288      0.00000
      9      11.3249      0.00000
     10      11.7621      0.00000
     11      11.8206      0.00000
     12      11.8838      0.00000

 k-point   409 :       0.1538   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9420      2.00000
      2       1.5711      2.00000
      3       1.9936      2.00000
      4       4.0481      2.00000
      5       4.9333      2.00000
      6       7.5589      0.00000
      7       8.1286      0.00000
      8       9.6211      0.00000
      9      10.9653      0.00000
     10      11.6981      0.00000
     11      12.3673      0.00000
     12      12.9229      0.00000

 k-point   410 :       0.2308   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6934      2.00000
      2       1.8325      2.00000
      3       2.1309      2.00000
      4       3.1728      2.00000
      5       5.0081      1.99999
      6       6.5245      0.13450
      7       7.2910      0.00007
      8      10.0731      0.00000
      9      11.0941      0.00000
     10      11.9677      0.00000
     11      12.7397      0.00000
     12      14.1429      0.00000

 k-point   411 :       0.3077   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.3528      2.00000
      2       1.9519      2.00000
      3       2.1970      2.00000
      4       2.7088      2.00000
      5       5.1191      1.99998
      6       5.5691      1.99803
      7       6.5847      0.07593
      8       9.3889      0.00000
      9      12.3079      0.00000
     10      12.3498      0.00000
     11      13.2846      0.00000
     12      14.7860      0.00000

 k-point   412 :       0.3846   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.9387      2.00000
      2       1.2756      2.00000
      3       2.6616      2.00000
      4       2.8685      2.00000
      5       4.7070      2.00000
      6       5.1166      1.99998
      7       6.1514      1.50084
      8       8.8394      0.00000
      9      12.7386      0.00000
     10      12.9401      0.00000
     11      14.4527      0.00000
     12      14.5714      0.00000

 k-point   413 :       0.4615   -0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.5373      2.00000
      2       0.7026      2.00000
      3       3.0572      2.00000
      4       3.2084      2.00000
      5       3.9609      2.00000
      6       4.9743      1.99999
      7       6.0431      1.79752
      8       8.5238      0.00000
      9      13.1609      0.00000
     10      13.2398      0.00000
     11      13.8738      0.00000
     12      15.3141      0.00000

 k-point   414 :       0.0000   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4634      2.00000
      2       1.2218      2.00000
      3       2.5867      2.00000
      4       5.4064      1.99961
      5       5.4920      1.99909
      6       7.3931      0.00002
      7       9.0548      0.00000
      8       9.9554      0.00000
      9      10.3795      0.00000
     10      11.0654      0.00000
     11      11.4421      0.00000
     12      12.5241      0.00000

 k-point   415 :       0.0769   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4131      2.00000
      2       1.2686      2.00000
      3       2.6259      2.00000
      4       4.7949      2.00000
      5       5.5710      1.99800
      6       8.0277      0.00000
      7       8.4585      0.00000
      8       9.7535      0.00000
      9      10.1800      0.00000
     10      11.5440      0.00000
     11      11.7504      0.00000
     12      12.6581      0.00000

 k-point   416 :       0.1538   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.2631      2.00000
      2       1.4060      2.00000
      3       2.7290      2.00000
      4       3.8426      2.00000
      5       5.6586      1.99520
      6       7.4697      0.00001
      7       8.7907      0.00000
      8       9.3013      0.00000
      9      10.3998      0.00000
     10      11.5847      0.00000
     11      12.1432      0.00000
     12      12.8402      0.00000

 k-point   417 :       0.2308   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.0158      2.00000
      2       1.6150      2.00000
      3       2.6464      2.00000
      4       3.1817      2.00000
      5       5.7265      1.99055
      6       6.5927      0.07030
      7       7.9112      0.00000
      8      10.4217      0.00000
      9      10.6302      0.00000
     10      11.1533      0.00000
     11      12.3199      0.00000
     12      13.8773      0.00000

 k-point   418 :       0.3077   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.6777      2.00000
      2       1.6304      2.00000
      3       2.1722      2.00000
      4       3.3366      2.00000
      5       5.4004      1.99964
      6       6.1618      1.46095
      7       7.1931      0.00018
      8      10.0147      0.00000
      9      10.9622      0.00000
     10      12.0426      0.00000
     11      12.8490      0.00000
     12      13.9829      0.00000

 k-point   419 :       0.3846   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.2682      2.00000
      2       0.9766      2.00000
      3       2.4333      2.00000
      4       3.6306      2.00000
      5       4.7419      2.00000
      6       5.9354      1.92614
      7       6.8866      0.00385
      8       9.4433      0.00000
      9      11.3309      0.00000
     10      12.4962      0.00000
     11      13.4524      0.00000
     12      14.2171      0.00000

 k-point   420 :       0.4615   -0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.8774      2.00000
      2       0.4120      2.00000
      3       2.7683      2.00000
      4       3.8249      2.00000
      5       4.2875      2.00000
      6       5.6123      1.99697
      7       6.9229      0.00268
      8       9.0896      0.00000
      9      11.6672      0.00000
     10      12.5902      0.00000
     11      13.1178      0.00000
     12      14.7945      0.00000

 k-point   421 :       0.0000   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6925      2.00000
      2       0.9794      2.00000
      3       3.5799      2.00000
      4       5.2678      1.99990
      5       6.2306      1.15340
      6       7.1950      0.00018
      7       8.6751      0.00000
      8       8.7767      0.00000
      9      10.7630      0.00000
     10      11.4343      0.00000
     11      11.4825      0.00000
     12      12.8467      0.00000

 k-point   422 :       0.0769   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6424      2.00000
      2       1.0240      2.00000
      3       3.6112      2.00000
      4       4.6325      2.00000
      5       6.3994      0.40241
      6       7.7588      0.00000
      7       8.0939      0.00000
      8       8.9722      0.00000
      9      10.7186      0.00000
     10      11.2756      0.00000
     11      11.6675      0.00000
     12      13.2470      0.00000

 k-point   423 :       0.1538   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4927      2.00000
      2       1.1543      2.00000
      3       3.4687      2.00000
      4       3.8996      2.00000
      5       6.4686      0.22396
      6       7.2864      0.00007
      7       8.7259      0.00000
      8       9.3565      0.00000
      9       9.7849      0.00000
     10      11.6800      0.00000
     11      12.3382      0.00000
     12      12.7313      0.00000

 k-point   424 :       0.2308   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.2460      2.00000
      2       1.3477      2.00000
      3       2.6002      2.00000
      4       4.0169      2.00000
      5       6.0521      1.78059
      6       7.0025      0.00121
      7       8.7695      0.00000
      8       9.1932      0.00000
      9      10.5682      0.00000
     10      11.6008      0.00000
     11      12.1468      0.00000
     12      13.0574      0.00000

 k-point   425 :       0.3077   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.9090      2.00000
      2       1.3679      2.00000
      3       1.9893      2.00000
      4       4.2408      2.00000
      5       5.3513      1.99978
      6       7.1188      0.00038
      7       8.0148      0.00000
      8       9.4686      0.00000
      9      10.9275      0.00000
     10      11.7575      0.00000
     11      12.3957      0.00000
     12      12.9551      0.00000

 k-point   426 :       0.3846   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.5020      2.00000
      2       0.7536      2.00000
      3       2.1795      2.00000
      4       4.2088      2.00000
      5       5.0336      1.99999
      6       6.9282      0.00254
      7       7.7501      0.00000
      8       9.7309      0.00000
      9      10.3630      0.00000
     10      11.7705      0.00000
     11      12.7742      0.00000
     12      13.6632      0.00000

 k-point   427 :       0.4615   -0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.1167      2.00000
      2       0.1983      2.00000
      3       2.4833      2.00000
      4       3.8434      2.00000
      5       5.2272      1.99994
      6       6.4927      0.18031
      7       7.8933      0.00000
      8       9.7032      0.00000
      9      10.2551      0.00000
     10      11.4806      0.00000
     11      12.8935      0.00000
     12      14.2538      0.00000

 k-point   428 :       0.0000   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.8246      2.00000
      2       0.8075      2.00000
      3       4.5933      2.00000
      4       5.1401      1.99997
      5       6.6242      0.05179
      6       7.2497      0.00010
      7       7.8045      0.00000
      8       8.5892      0.00000
      9      10.3830      0.00000
     10      11.3693      0.00000
     11      12.3812      0.00000
     12      12.5891      0.00000

 k-point   429 :       0.0769   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7745      2.00000
      2       0.8513      2.00000
      3       4.4362      2.00000
      4       4.6959      2.00000
      5       7.1279      0.00035
      6       7.3122      0.00005
      7       7.7275      0.00000
      8       8.4347      0.00000
      9      10.8701      0.00000
     10      11.3952      0.00000
     11      11.7954      0.00000
     12      12.5682      0.00000

 k-point   430 :       0.1538   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6249      2.00000
      2       0.9787      2.00000
      3       3.4583      2.00000
      4       4.7922      2.00000
      5       6.7614      0.01339
      6       7.4526      0.00001
      7       7.9662      0.00000
      8       9.0814      0.00000
      9      10.7326      0.00000
     10      11.5249      0.00000
     11      11.6228      0.00000
     12      12.8475      0.00000

 k-point   431 :       0.2308   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3784      2.00000
      2       1.1670      2.00000
      3       2.5016      2.00000
      4       4.9679      2.00000
      5       5.9733      1.89391
      6       7.6979      0.00000
      7       8.1807      0.00000
      8       9.7642      0.00000
      9      10.3613      0.00000
     10      11.6230      0.00000
     11      11.9300      0.00000
     12      12.5107      0.00000

 k-point   432 :       0.3077   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0418      2.00000
      2       1.2033      2.00000
      3       1.8587      2.00000
      4       4.8504      2.00000
      5       5.5928      1.99751
      6       8.0288      0.00000
      7       8.3506      0.00000
      8       8.9493      0.00000
      9      11.1363      0.00000
     10      11.7517      0.00000
     11      11.8668      0.00000
     12      12.2174      0.00000

 k-point   433 :       0.3846   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.6359      2.00000
      2       0.6208      2.00000
      3       2.0058      2.00000
      4       4.2482      2.00000
      5       5.8773      1.95797
      6       7.9345      0.00000
      7       8.4913      0.00000
      8       8.7912      0.00000
      9      10.5576      0.00000
     10      11.2489      0.00000
     11      12.5650      0.00000
     12      12.6282      0.00000

 k-point   434 :       0.4615   -0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2528      2.00000
      2       0.0716      2.00000
      3       2.2910      2.00000
      4       3.7730      2.00000
      5       6.2476      1.06935
      6       7.3971      0.00002
      7       8.9069      0.00000
      8       8.9402      0.00000
      9       9.9785      0.00000
     10      10.9480      0.00000
     11      12.7853      0.00000
     12      12.9671      0.00000

 k-point   435 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4667      2.00000
      2      -0.0583      2.00000
      3       5.4722      1.99925
      4       5.5276      1.99870
      5       6.8596      0.00504
      6       7.2989      0.00006
      7       7.6106      0.00000
      8       7.6784      0.00000
      9       8.9686      0.00000
     10      11.4671      0.00000
     11      13.1227      0.00000
     12      13.7081      0.00000

 k-point   436 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4157      2.00000
      2      -0.0144      2.00000
      3       4.8518      2.00000
      4       5.5282      1.99869
      5       6.7654      0.01288
      6       7.3102      0.00006
      7       7.7207      0.00000
      8       7.9584      0.00000
      9       9.4364      0.00000
     10      11.6513      0.00000
     11      12.6475      0.00000
     12      13.1960      0.00000

 k-point   437 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.2634      2.00000
      2       0.1154      2.00000
      3       3.8180      2.00000
      4       5.6725      1.99448
      5       5.9233      1.93425
      6       7.4222      0.00002
      7       7.9609      0.00000
      8       8.9874      0.00000
      9      10.1897      0.00000
     10      11.5602      0.00000
     11      12.2473      0.00000
     12      12.8702      0.00000

 k-point   438 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.0120      2.00000
      2       0.3236      2.00000
      3       2.8164      2.00000
      4       5.0300      1.99999
      5       5.9150      1.93933
      6       7.6623      0.00000
      7       8.1966      0.00000
      8       9.8343      0.00000
      9      10.5443      0.00000
     10      11.1665      0.00000
     11      12.1294      0.00000
     12      12.8712      0.00000

 k-point   439 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.6670      2.00000
      2       0.5838      2.00000
      3       1.9182      2.00000
      4       4.2117      2.00000
      5       6.2477      1.06870
      6       7.9948      0.00000
      7       8.5013      0.00000
      8       9.5982      0.00000
      9      10.2542      0.00000
     10      11.3965      0.00000
     11      12.0638      0.00000
     12      12.5311      0.00000

 k-point   440 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.2458      2.00000
      2       0.7189      2.00000
      3       1.2991      2.00000
      4       3.5227      2.00000
      5       6.6594      0.03672
      6       8.3923      0.00000
      7       8.7817      0.00000
      8       8.8825      0.00000
      9      10.2513      0.00000
     10      10.8680      0.00000
     11      11.4042      0.00000
     12      13.5859      0.00000

 k-point   441 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.8317      2.00000
      2       0.3293      2.00000
      3       1.3473      2.00000
      4       3.0716      2.00000
      5       7.0778      0.00057
      6       8.1670      0.00000
      7       8.8250      0.00000
      8       9.1541      0.00000
      9       9.8512      0.00000
     10      10.6784      0.00000
     11      11.0660      0.00000
     12      13.5001      0.00000

 k-point   442 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3968      2.00000
      2      -0.0492      2.00000
      3       4.6484      2.00000
      4       5.5981      1.99737
      5       6.8638      0.00483
      6       7.6903      0.00000
      7       7.7410      0.00000
      8       8.0328      0.00000
      9       9.0554      0.00000
     10      11.5411      0.00000
     11      12.5215      0.00000
     12      13.0149      0.00000

 k-point   443 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3457      2.00000
      2      -0.0050      2.00000
      3       4.6474      2.00000
      4       4.9762      1.99999
      5       6.9162      0.00286
      6       7.3254      0.00005
      7       8.1309      0.00000
      8       8.3095      0.00000
      9       9.4918      0.00000
     10      11.5521      0.00000
     11      11.9486      0.00000
     12      13.3234      0.00000

 k-point   444 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.1932      2.00000
      2       0.1256      2.00000
      3       3.8631      2.00000
      4       4.8509      2.00000
      5       6.0297      1.82076
      6       7.5713      0.00000
      7       8.4478      0.00000
      8       9.2340      0.00000
      9      10.2086      0.00000
     10      10.7417      0.00000
     11      12.3599      0.00000
     12      13.3223      0.00000

 k-point   445 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9414      2.00000
      2       0.3355      2.00000
      3       2.8715      2.00000
      4       4.8578      2.00000
      5       5.3386      1.99980
      6       7.8214      0.00000
      7       8.7090      0.00000
      8       9.6950      0.00000
      9      10.1754      0.00000
     10      11.2050      0.00000
     11      12.5973      0.00000
     12      13.0892      0.00000

 k-point   446 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.5958      2.00000
      2       0.6006      2.00000
      3       1.9725      2.00000
      4       4.1939      2.00000
      5       5.4950      1.99906
      6       8.1000      0.00000
      7       8.8857      0.00000
      8       9.0529      0.00000
      9      10.5708      0.00000
     10      11.7489      0.00000
     11      12.3160      0.00000
     12      12.6117      0.00000

 k-point   447 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.1731      2.00000
      2       0.7623      2.00000
      3       1.3285      2.00000
      4       3.5190      2.00000
      5       5.8649      1.96281
      6       7.9631      0.00000
      7       8.6301      0.00000
      8       9.4625      0.00000
      9      10.7316      0.00000
     10      11.0777      0.00000
     11      11.6252      0.00000
     12      13.8030      0.00000

 k-point   448 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.7555      2.00000
      2       0.3896      2.00000
      3       1.3589      2.00000
      4       3.0695      2.00000
      5       6.2328      1.14239
      6       7.4514      0.00001
      7       8.8944      0.00000
      8       9.8907      0.00000
      9      10.4443      0.00000
     10      10.7762      0.00000
     11      11.2500      0.00000
     12      13.7050      0.00000

 k-point   449 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2258      2.00000
      2       0.0444      2.00000
      3       3.6224      2.00000
      4       5.7656      1.98606
      5       6.1725      1.41781
      6       7.7434      0.00000
      7       7.7991      0.00000
      8       9.0539      0.00000
      9       9.9610      0.00000
     10      11.4075      0.00000
     11      11.9657      0.00000
     12      12.7138      0.00000

 k-point   450 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.1747      2.00000
      2       0.0893      2.00000
      3       3.6600      2.00000
      4       5.0719      1.99999
      5       6.3427      0.61487
      6       7.2364      0.00012
      7       8.3955      0.00000
      8       9.4320      0.00000
      9      10.2089      0.00000
     10      10.7170      0.00000
     11      12.1770      0.00000
     12      13.1824      0.00000

 k-point   451 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0220      2.00000
      2       0.2223      2.00000
      3       3.7103      2.00000
      4       4.1320      2.00000
      5       6.0092      1.85140
      6       6.8371      0.00630
      7       9.5560      0.00000
      8       9.7323      0.00000
      9       9.7995      0.00000
     10      10.9017      0.00000
     11      12.3503      0.00000
     12      13.0308      0.00000

 k-point   452 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.7698      2.00000
      2       0.4369      2.00000
      3       2.9998      2.00000
      4       4.0378      2.00000
      5       5.2216      1.99994
      6       6.9510      0.00202
      7       8.7957      0.00000
      8      10.0235      0.00000
      9      10.9122      0.00000
     10      11.4174      0.00000
     11      11.9391      0.00000
     12      13.6291      0.00000

 k-point   453 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.4233      2.00000
      2       0.7117      2.00000
      3       2.1130      2.00000
      4       4.0578      2.00000
      5       4.6823      2.00000
      6       7.1236      0.00036
      7       8.0169      0.00000
      8      10.3350      0.00000
      9      10.9024      0.00000
     10      11.7220      0.00000
     11      12.8154      0.00000
     12      13.5410      0.00000

 k-point   454 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.9986      2.00000
      2       0.9074      2.00000
      3       1.4463      2.00000
      4       3.5421      2.00000
      5       4.8688      2.00000
      6       6.9293      0.00251
      7       7.7683      0.00000
      8      10.1619      0.00000
      9      10.8521      0.00000
     10      12.0484      0.00000
     11      12.8648      0.00000
     12      14.1781      0.00000

 k-point   455 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.5758      2.00000
      2       0.5480      2.00000
      3       1.4710      2.00000
      4       3.1044      2.00000
      5       5.1820      1.99996
      6       6.4855      0.19236
      7       7.9263      0.00000
      8       9.7676      0.00000
      9      11.2498      0.00000
     10      12.0851      0.00000
     11      12.4350      0.00000
     12      14.5446      0.00000

 k-point   456 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9559      2.00000
      2       0.2120      2.00000
      3       2.6534      2.00000
      4       5.2976      1.99987
      5       6.0283      1.82303
      6       7.9371      0.00000
      7       8.0020      0.00000
      8       9.6851      0.00000
      9      10.3955      0.00000
     10      11.2367      0.00000
     11      11.9788      0.00000
     12      13.0078      0.00000

 k-point   457 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9047      2.00000
      2       0.2584      2.00000
      3       2.6956      2.00000
      4       5.0913      1.99998
      5       5.6797      1.99407
      6       7.4238      0.00002
      7       8.6378      0.00000
      8       9.7499      0.00000
      9      10.3187      0.00000
     10      11.3171      0.00000
     11      12.5518      0.00000
     12      12.6386      0.00000

 k-point   458 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7518      2.00000
      2       0.3959      2.00000
      3       2.8157      2.00000
      4       4.2633      2.00000
      5       5.5334      1.99862
      6       6.5896      0.07246
      7       8.8071      0.00000
      8       9.8955      0.00000
      9      11.1000      0.00000
     10      11.6106      0.00000
     11      11.8326      0.00000
     12      13.4388      0.00000

 k-point   459 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.4991      2.00000
      2       0.6190      2.00000
      3       2.9300      2.00000
      4       3.3949      2.00000
      5       5.1924      1.99995
      6       6.1351      1.55921
      7       7.9059      0.00000
      8      10.7384      0.00000
      9      11.3301      0.00000
     10      11.6021      0.00000
     11      12.5368      0.00000
     12      14.0178      0.00000

 k-point   460 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.1515      2.00000
      2       0.9100      2.00000
      3       2.3224      2.00000
      4       3.3651      2.00000
      5       4.5164      2.00000
      6       6.1166      1.61977
      7       7.1645      0.00024
      8      10.0277      0.00000
      9      11.8715      0.00000
     10      12.7600      0.00000
     11      13.2497      0.00000
     12      14.5825      0.00000

 k-point   461 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.7242      2.00000
      2       1.1521      2.00000
      3       1.6444      2.00000
      4       3.4588      2.00000
      5       4.0618      2.00000
      6       5.9250      1.93315
      7       6.8511      0.00548
      8       9.4216      0.00000
      9      12.2938      0.00000
     10      13.3731      0.00000
     11      14.2266      0.00000
     12      14.4689      0.00000

 k-point   462 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.2940      2.00000
      2       0.8018      2.00000
      3       1.6812      2.00000
      4       3.1553      2.00000
      5       4.1836      2.00000
      6       5.5604      1.99820
      7       6.9006      0.00335
      8       9.0548      0.00000
      9      12.7271      0.00000
     10      13.5033      0.00000
     11      13.8005      0.00000
     12      15.0749      0.00000

 k-point   463 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5931      2.00000
      2       0.4170      2.00000
      3       1.8119      2.00000
      4       4.4540      2.00000
      5       6.3818      0.46193
      6       8.2455      0.00000
      7       8.2874      0.00000
      8       9.4998      0.00000
      9       9.9564      0.00000
     10      11.4500      0.00000
     11      12.3131      0.00000
     12      12.7033      0.00000

 k-point   464 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5418      2.00000
      2       0.4660      2.00000
      3       1.8547      2.00000
      4       4.4510      2.00000
      5       5.8092      1.97851
      6       7.6723      0.00000
      7       8.8493      0.00000
      8       9.0351      0.00000
      9      10.6761      0.00000
     10      11.7061      0.00000
     11      12.1424      0.00000
     12      12.7764      0.00000

 k-point   465 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.3885      2.00000
      2       0.6119      2.00000
      3       1.9807      2.00000
      4       4.2972      2.00000
      5       5.0285      1.99999
      6       6.6999      0.02465
      7       8.0175      0.00000
      8      10.1792      0.00000
      9      10.9330      0.00000
     10      11.8969      0.00000
     11      12.9475      0.00000
     12      13.2157      0.00000

 k-point   466 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.1350      2.00000
      2       0.8507      2.00000
      3       2.1778      2.00000
      4       3.5850      2.00000
      5       4.8151      2.00000
      6       5.7839      1.98329
      7       7.1487      0.00028
      8       9.9943      0.00000
      9      11.7474      0.00000
     10      12.9295      0.00000
     11      13.3919      0.00000
     12      14.3519      0.00000

 k-point   467 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.7858      2.00000
      2       1.1702      2.00000
      3       2.3460      2.00000
      4       2.8258      2.00000
      5       4.5403      2.00000
      6       5.2152      1.99994
      7       6.4293      0.31469
      8       9.2927      0.00000
      9      13.2142      0.00000
     10      13.4441      0.00000
     11      14.2198      0.00000
     12      15.0099      0.00000

 k-point   468 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.3546      2.00000
      2       1.4878      2.00000
      3       1.8902      2.00000
      4       2.8624      2.00000
      5       3.8983      2.00000
      6       5.0025      1.99999
      7       6.0205      1.83511
      8       8.7388      0.00000
      9      13.8143      0.00000
     10      14.6169      0.00000
     11      14.8631      0.00000
     12      15.5020      0.00000

 k-point   469 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1       0.0862      2.00000
      2       1.1432      2.00000
      3       1.9808      2.00000
      4       3.0882      2.00000
      5       3.3795      2.00000
      6       4.7556      2.00000
      7       5.9416      1.92157
      8       8.4212      0.00000
      9      14.2627      0.00000
     10      14.9095      0.00000
     11      15.1912      0.00000
     12      15.4896      0.00000

 k-point   470 :       0.0000   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.9131      2.00000
      2       0.4274      2.00000
      3       1.3713      2.00000
      4       3.0129      2.00000
      5       7.0502      0.00075
      6       8.3097      0.00000
      7       8.7634      0.00000
      8       9.2885      0.00000
      9      10.0748      0.00000
     10      10.5373      0.00000
     11      10.8945      0.00000
     12      13.3989      0.00000

 k-point   471 :       0.0769   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8612      2.00000
      2       0.4768      2.00000
      3       1.4231      2.00000
      4       3.0340      2.00000
      5       6.3959      0.41371
      6       7.7074      0.00000
      7       8.6057      0.00000
      8       9.4948      0.00000
      9      10.1176      0.00000
     10      10.8953      0.00000
     11      11.6514      0.00000
     12      13.7820      0.00000

 k-point   472 :       0.1538   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7060      2.00000
      2       0.6241      2.00000
      3       1.5781      2.00000
      4       3.0931      2.00000
      5       5.3543      1.99977
      6       6.7148      0.02127
      7       7.5560      0.00000
      8       9.4561      0.00000
      9      10.8558      0.00000
     10      12.1153      0.00000
     11      12.9469      0.00000
     12      14.2651      0.00000

 k-point   473 :       0.2308   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4489      2.00000
      2       0.8662      2.00000
      3       1.8355      2.00000
      4       3.1720      2.00000
      5       4.3425      2.00000
      6       5.7413      1.98905
      7       6.5313      0.12613
      8       8.8026      0.00000
      9      12.3072      0.00000
     10      13.4921      0.00000
     11      14.3545      0.00000
     12      14.5480      0.00000

 k-point   474 :       0.3077   -0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0934      2.00000
      2       1.1948      2.00000
      3       2.1927      2.00000
      4       3.1536      2.00000
      5       3.5086      2.00000
      6       4.8694      2.00000
      7       5.5859      1.99768
      8       8.2291      0.00000
      9      13.8313      0.00000
     10      14.7207      0.00000
     11      15.0779      0.00000
     12      15.7715      0.00000

 k-point   475 :       0.3846   -0.4615    0.3846
  band No.  band energies     occupation 
      1       0.3499      2.00000
      2       1.5834      2.00000
      3       2.5018      2.00000
      4       2.6419      2.00000
      5       3.3400      2.00000
      6       4.1894      2.00000
      7       4.7391      2.00000
      8       7.8041      0.00000
      9      15.0821      0.00000
     10      15.4929      0.00000
     11      16.2281      0.00000
     12      16.5968      0.00000

 k-point   476 :       0.4615   -0.4615    0.3846
  band No.  band energies     occupation 
      1       0.8192      2.00000
      2       1.7725      2.00000
      3       2.0251      2.00000
      4       3.0637      2.00000
      5       3.2151      2.00000
      6       3.8888      2.00000
      7       4.0387      2.00000
      8       7.5758      0.00000
      9      15.5440      0.00000
     10      16.3041      0.00000
     11      16.5699      0.00000
     12      17.1043      0.00000

 k-point   477 :       0.0000   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.3420      2.00000
      2       0.9620      2.00000
      3       1.2822      2.00000
      4       3.3511      2.00000
      5       6.6112      0.05877
      6       8.3877      0.00000
      7       8.9649      0.00000
      8       9.0187      0.00000
      9      10.4365      0.00000
     10      10.9628      0.00000
     11      10.9985      0.00000
     12      13.3544      0.00000

 k-point   478 :       0.0769   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2909      2.00000
      2       1.0146      2.00000
      3       1.3281      2.00000
      4       3.3725      2.00000
      5       5.9848      1.88174
      6       8.2542      0.00000
      7       8.4761      0.00000
      8       9.0983      0.00000
      9      10.5236      0.00000
     10      11.2253      0.00000
     11      11.7208      0.00000
     12      13.6012      0.00000

 k-point   479 :       0.1538   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1380      2.00000
      2       1.1723      2.00000
      3       1.4637      2.00000
      4       3.4263      2.00000
      5       4.9822      1.99999
      6       7.1816      0.00020
      7       7.5380      0.00001
      8       9.7001      0.00000
      9      10.5103      0.00000
     10      12.5197      0.00000
     11      12.9109      0.00000
     12      13.7569      0.00000

 k-point   480 :       0.2308   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.8852      2.00000
      2       1.4344      2.00000
      3       1.6814      2.00000
      4       3.4260      2.00000
      5       4.0945      2.00000
      6       6.1428      1.53227
      7       6.5961      0.06805
      8       9.0460      0.00000
      9      11.9013      0.00000
     10      13.7627      0.00000
     11      14.1450      0.00000
     12      14.1826      0.00000

 k-point   481 :       0.3077   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.5371      2.00000
      2       1.7998      2.00000
      3       1.9530      2.00000
      4       2.9078      2.00000
      5       3.8484      2.00000
      6       5.1840      1.99996
      7       5.7379      1.98941
      8       8.4424      0.00000
      9      13.3981      0.00000
     10      14.2479      0.00000
     11      14.8553      0.00000
     12      15.3038      0.00000

 k-point   482 :       0.3846   -0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.1081      2.00000
      2       1.9626      2.00000
      3       2.2655      2.00000
      4       2.4620      2.00000
      5       3.9387      2.00000
      6       4.3195      2.00000
      7       5.0139      1.99999
      8       7.9913      0.00000
      9      14.6523      0.00000
     10      14.6788      0.00000
     11      15.5334      0.00000
     12      15.9765      0.00000

 k-point   483 :       0.4615   -0.3846    0.3846
  band No.  band energies     occupation 
      1       0.3269      2.00000
      2       1.4222      2.00000
      3       2.6510      2.00000
      4       2.8121      2.00000
      5       3.5728      2.00000
      6       4.0402      2.00000
      7       4.5225      2.00000
      8       7.7470      0.00000
      9      15.1069      0.00000
     10      15.1396      0.00000
     11      15.7277      0.00000
     12      16.8126      0.00000

 k-point   484 :       0.0000   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.7467      2.00000
      2       0.7372      2.00000
      3       2.0118      2.00000
      4       3.9804      2.00000
      5       6.2127      1.23925
      6       8.0159      0.00000
      7       8.5811      0.00000
      8       9.8303      0.00000
      9      10.3198      0.00000
     10      11.5809      0.00000
     11      11.7069      0.00000
     12      12.1544      0.00000

 k-point   485 :       0.0769   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6958      2.00000
      2       0.7854      2.00000
      3       2.0584      2.00000
      4       3.9940      2.00000
      5       5.6080      1.99710
      6       7.9807      0.00000
      7       8.7330      0.00000
      8       9.2076      0.00000
      9      10.9346      0.00000
     10      11.2687      0.00000
     11      12.2047      0.00000
     12      12.3628      0.00000

 k-point   486 :       0.1538   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5436      2.00000
      2       0.9286      2.00000
      3       2.1960      2.00000
      4       3.9715      2.00000
      5       4.6957      2.00000
      6       7.0163      0.00105
      7       8.2226      0.00000
      8       9.9146      0.00000
      9      10.4769      0.00000
     10      12.0228      0.00000
     11      12.6890      0.00000
     12      13.4000      0.00000

 k-point   487 :       0.2308   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.2923      2.00000
      2       1.1615      2.00000
      3       2.4128      2.00000
      4       3.4348      2.00000
      5       4.3548      2.00000
      6       6.0739      1.73418
      7       7.2632      0.00009
      8       9.5544      0.00000
      9      11.4903      0.00000
     10      12.5179      0.00000
     11      13.7663      0.00000
     12      14.0286      0.00000

 k-point   488 :       0.3077   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.9470      2.00000
      2       1.4626      2.00000
      3       2.4649      2.00000
      4       2.8475      2.00000
      5       4.3625      2.00000
      6       5.2803      1.99989
      7       6.3971      0.40970
      8       8.9012      0.00000
      9      12.6929      0.00000
     10      13.1640      0.00000
     11      14.3571      0.00000
     12      14.9301      0.00000

 k-point   489 :       0.3846   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.5237      2.00000
      2       1.5551      2.00000
      3       2.0328      2.00000
      4       3.1240      2.00000
      5       4.1186      2.00000
      6       4.8860      2.00000
      7       5.6861      1.99368
      8       8.4004      0.00000
      9      13.1764      0.00000
     10      14.2744      0.00000
     11      14.9652      0.00000
     12      15.1544      0.00000

 k-point   490 :       0.4615   -0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.1024      2.00000
      2       1.0445      2.00000
      3       2.2877      2.00000
      4       3.3502      2.00000
      5       3.7707      2.00000
      6       4.7668      2.00000
      7       5.2889      1.99988
      8       8.1225      0.00000
      9      13.5533      0.00000
     10      14.4406      0.00000
     11      14.9009      0.00000
     12      16.2675      0.00000

 k-point   491 :       0.0000   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0714      2.00000
      2       0.4303      2.00000
      3       2.9550      2.00000
      4       4.7618      2.00000
      5       5.8988      1.94820
      6       7.7004      0.00000
      7       8.2219      0.00000
      8       9.8341      0.00000
      9      10.7790      0.00000
     10      10.9209      0.00000
     11      12.3300      0.00000
     12      12.6039      0.00000

 k-point   492 :       0.0769   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0206      2.00000
      2       0.4763      2.00000
      3       3.0002      2.00000
      4       4.7210      2.00000
      5       5.3531      1.99977
      6       7.6508      0.00000
      7       8.4250      0.00000
      8      10.1026      0.00000
      9      10.2958      0.00000
     10      11.1414      0.00000
     11      12.1168      0.00000
     12      12.9698      0.00000

 k-point   493 :       0.1538   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.8686      2.00000
      2       0.6126      2.00000
      3       3.1291      2.00000
      4       4.1380      2.00000
      5       4.9905      1.99999
      6       6.7743      0.01179
      7       9.1215      0.00000
      8       9.6674      0.00000
      9      10.6255      0.00000
     10      11.1837      0.00000
     11      12.1906      0.00000
     12      13.5060      0.00000

 k-point   494 :       0.2308   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.6177      2.00000
      2       0.8324      2.00000
      3       3.0955      2.00000
      4       3.4440      2.00000
      5       4.9345      2.00000
      6       6.0294      1.82119
      7       8.1493      0.00000
      8      10.1916      0.00000
      9      10.8376      0.00000
     10      11.4049      0.00000
     11      13.2630      0.00000
     12      13.7405      0.00000

 k-point   495 :       0.3077   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.2734      2.00000
      2       1.1099      2.00000
      3       2.2708      2.00000
      4       3.6495      2.00000
      5       4.6082      2.00000
      6       5.7489      1.98819
      7       7.2666      0.00009
      8       9.5172      0.00000
      9      11.2961      0.00000
     10      12.7255      0.00000
     11      13.8954      0.00000
     12      14.0692      0.00000

 k-point   496 :       0.3846   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.8525      2.00000
      2       1.1994      2.00000
      3       1.7389      2.00000
      4       3.6572      2.00000
      5       4.3858      2.00000
      6       5.7865      1.98285
      7       6.5339      0.12310
      8       8.9684      0.00000
      9      11.6817      0.00000
     10      13.4802      0.00000
     11      14.1947      0.00000
     12      14.4876      0.00000

 k-point   497 :       0.4615   -0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.4376      2.00000
      2       0.7308      2.00000
      3       1.9125      2.00000
      4       3.3116      2.00000
      5       4.6412      2.00000
      6       5.6837      1.99383
      7       6.1785      1.39244
      8       8.6501      0.00000
      9      12.0303      0.00000
     10      13.1171      0.00000
     11      14.6066      0.00000
     12      14.9052      0.00000

 k-point   498 :       0.0000   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.3025      2.00000
      2       0.1850      2.00000
      3       3.9824      2.00000
      4       5.6387      1.99606
      5       5.6784      1.99415
      6       7.4454      0.00001
      7       7.9464      0.00000
      8       8.8176      0.00000
      9      10.2273      0.00000
     10      11.8295      0.00000
     11      12.5717      0.00000
     12      12.9727      0.00000

 k-point   499 :       0.0769   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2517      2.00000
      2       0.2297      2.00000
      3       4.0230      2.00000
      4       4.9823      1.99999
      5       5.7452      1.98861
      6       7.3842      0.00003
      7       8.1366      0.00000
      8       9.0955      0.00000
      9      10.6323      0.00000
     10      11.1476      0.00000
     11      12.5766      0.00000
     12      13.0022      0.00000

 k-point   500 :       0.1538   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0997      2.00000
      2       0.3621      2.00000
      3       3.9166      2.00000
      4       4.2094      2.00000
      5       5.6903      1.99341
      6       6.6611      0.03611
      7       9.1148      0.00000
      8       9.6219      0.00000
      9      10.1114      0.00000
     10      11.5548      0.00000
     11      11.9656      0.00000
     12      13.0765      0.00000

 k-point   501 :       0.2308   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.8488      2.00000
      2       0.5748      2.00000
      3       2.9609      2.00000
      4       4.3473      2.00000
      5       5.2621      1.99991
      6       6.4327      0.30580
      7       9.1219      0.00000
      8       9.4829      0.00000
      9      10.8305      0.00000
     10      11.2244      0.00000
     11      12.3981      0.00000
     12      13.3725      0.00000

 k-point   502 :       0.3077   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.5046      2.00000
      2       0.8401      2.00000
      3       2.0736      2.00000
      4       4.2156      2.00000
      5       4.9848      1.99999
      6       6.5763      0.08235
      7       8.2330      0.00000
      8       9.7134      0.00000
      9      10.4572      0.00000
     10      12.1971      0.00000
     11      12.8854      0.00000
     12      13.2160      0.00000

 k-point   503 :       0.3846   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.0845      2.00000
      2       0.9386      2.00000
      3       1.5087      2.00000
      4       3.6446      2.00000
      5       5.2833      1.99989
      6       6.7784      0.01131
      7       7.4799      0.00001
      8       9.5606      0.00000
      9      10.3538      0.00000
     10      12.2129      0.00000
     11      13.1950      0.00000
     12      14.0254      0.00000

 k-point   504 :       0.4615   -0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.6722      2.00000
      2       0.5024      2.00000
      3       1.6260      2.00000
      4       3.2018      2.00000
      5       5.6671      1.99477
      6       6.6927      0.02645
      7       7.1573      0.00026
      8       9.2489      0.00000
      9      10.6030      0.00000
     10      11.8227      0.00000
     11      13.4542      0.00000
     12      14.4577      0.00000

 k-point   505 :       0.0000   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.4350      2.00000
      2       0.0201      2.00000
      3       5.0159      1.99999
      4       5.5544      1.99830
      5       6.5574      0.09859
      6       7.1590      0.00025
      7       7.7641      0.00000
      8       7.7923      0.00000
      9       9.6315      0.00000
     10      11.7983      0.00000
     11      12.9751      0.00000
     12      13.1274      0.00000

 k-point   506 :       0.0769   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3841      2.00000
      2       0.0642      2.00000
      3       4.8691      2.00000
      4       5.0741      1.99999
      5       6.5986      0.06645
      6       7.1241      0.00036
      7       7.6921      0.00000
      8       8.2780      0.00000
      9      10.0518      0.00000
     10      11.8769      0.00000
     11      12.2445      0.00000
     12      13.1447      0.00000

 k-point   507 :       0.1538   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2320      2.00000
      2       0.1946      2.00000
      3       3.8465      2.00000
      4       5.1697      1.99996
      5       6.0485      1.78754
      6       6.9774      0.00155
      7       8.0976      0.00000
      8       9.2938      0.00000
      9      10.7836      0.00000
     10      11.1195      0.00000
     11      12.3419      0.00000
     12      13.0372      0.00000

 k-point   508 :       0.2308   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9809      2.00000
      2       0.4036      2.00000
      3       2.8473      2.00000
      4       4.9749      1.99999
      5       5.6188      1.99677
      6       7.1786      0.00021
      7       8.3547      0.00000
      8      10.1108      0.00000
      9      10.4949      0.00000
     10      11.4302      0.00000
     11      12.0254      0.00000
     12      12.6065      0.00000

 k-point   509 :       0.3077   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6364      2.00000
      2       0.6638      2.00000
      3       1.9527      2.00000
      4       4.2436      2.00000
      5       5.8707      1.96062
      6       7.4739      0.00001
      7       8.6389      0.00000
      8       9.2110      0.00000
      9      11.0816      0.00000
     10      11.1411      0.00000
     11      12.0945      0.00000
     12      12.6862      0.00000

 k-point   510 :       0.3846   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.2161      2.00000
      2       0.7779      2.00000
      3       1.3599      2.00000
      4       3.5681      2.00000
      5       6.2697      0.95892
      6       7.7969      0.00000
      7       8.4210      0.00000
      8       8.9735      0.00000
      9      10.3559      0.00000
     10      11.0727      0.00000
     11      12.0260      0.00000
     12      13.9105      0.00000

 k-point   511 :       0.4615   -0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.8039      2.00000
      2       0.3674      2.00000
      3       1.4366      2.00000
      4       3.1167      2.00000
      5       6.6894      0.02732
      6       7.7077      0.00000
      7       8.1806      0.00000
      8       9.2942      0.00000
      9       9.7785      0.00000
     10      10.8334      0.00000
     11      12.1123      0.00000
     12      14.1052      0.00000

 k-point   512 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.1141      2.00000
      2      -0.6059      2.00000
      3       5.8953      1.94989
      4       5.9548      1.91102
      5       6.8264      0.00702
      6       7.0504      0.00075
      7       7.4250      0.00002
      8       7.5198      0.00001
      9       8.2404      0.00000
     10      11.3071      0.00000
     11      14.0251      0.00000
     12      14.4305      0.00000

 k-point   513 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0615      2.00000
      2      -0.5632      2.00000
      3       5.2551      1.99991
      4       5.9441      1.91968
      5       6.3487      0.58979
      6       6.8808      0.00408
      7       7.7866      0.00000
      8       8.1336      0.00000
      9       8.7375      0.00000
     10      11.4739      0.00000
     11      13.0417      0.00000
     12      13.9680      0.00000

 k-point   514 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9041      2.00000
      2      -0.4366      2.00000
      3       4.1883      2.00000
      4       5.4071      1.99961
      5       6.0957      1.67987
      6       7.0303      0.00092
      7       7.9931      0.00000
      8       8.9930      0.00000
      9       9.8566      0.00000
     10      11.8581      0.00000
     11      12.0878      0.00000
     12      13.0268      0.00000

 k-point   515 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6432      2.00000
      2      -0.2322      2.00000
      3       3.1511      2.00000
      4       4.5183      2.00000
      5       6.3340      0.65239
      6       7.2755      0.00008
      7       8.2547      0.00000
      8       9.5107      0.00000
      9      10.9055      0.00000
     10      11.2727      0.00000
     11      12.0439      0.00000
     12      12.7300      0.00000

 k-point   516 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.2819      2.00000
      2       0.0355      2.00000
      3       2.1962      2.00000
      4       3.7225      2.00000
      5       6.6655      0.03458
      6       7.6109      0.00000
      7       8.6008      0.00000
      8       9.7642      0.00000
      9      10.0469      0.00000
     10      11.1307      0.00000
     11      11.9585      0.00000
     12      12.8075      0.00000

 k-point   517 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.8299      2.00000
      2       0.3278      2.00000
      3       1.3477      2.00000
      4       3.0705      2.00000
      5       7.0779      0.00057
      6       8.0163      0.00000
      7       9.0193      0.00000
      8       9.1571      0.00000
      9      10.0337      0.00000
     10      10.3482      0.00000
     11      11.1811      0.00000
     12      13.4848      0.00000

 k-point   518 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.3450      2.00000
      2       0.5077      2.00000
      3       0.7096      2.00000
      4       2.6638      2.00000
      5       7.5052      0.00001
      6       8.3974      0.00000
      7       8.5428      0.00000
      8       9.4349      0.00000
      9       9.7186      0.00000
     10      10.2114      0.00000
     11      10.5458      0.00000
     12      13.3758      0.00000

 k-point   519 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0504      2.00000
      2      -0.5798      2.00000
      3       5.0693      1.99999
      4       6.0194      1.83684
      5       6.4892      0.18613
      6       7.0785      0.00057
      7       7.6708      0.00000
      8       8.2709      0.00000
      9       8.4987      0.00000
     10      11.4455      0.00000
     11      12.9080      0.00000
     12      13.9712      0.00000

 k-point   520 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.9977      2.00000
      2      -0.5369      2.00000
      3       5.1044      1.99998
      4       5.3145      1.99985
      5       6.2775      0.91989
      6       6.8484      0.00563
      7       8.2920      0.00000
      8       8.6417      0.00000
      9       8.8129      0.00000
     10      11.5522      0.00000
     11      12.2262      0.00000
     12      14.0579      0.00000

 k-point   521 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8402      2.00000
      2      -0.4099      2.00000
      3       4.2432      2.00000
      4       5.1542      1.99997
      5       5.5432      1.99848
      6       6.9454      0.00214
      7       8.6237      0.00000
      8       9.4232      0.00000
      9       9.8807      0.00000
     10      11.0991      0.00000
     11      12.0783      0.00000
     12      13.1342      0.00000

 k-point   522 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.5789      2.00000
      2      -0.2046      2.00000
      3       3.2084      2.00000
      4       4.5020      2.00000
      5       5.5632      1.99815
      6       7.1640      0.00024
      7       8.8855      0.00000
      8       9.8937      0.00000
      9      10.2079      0.00000
     10      11.3051      0.00000
     11      11.9548      0.00000
     12      13.1371      0.00000

 k-point   523 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2168      2.00000
      2       0.0646      2.00000
      3       2.2534      2.00000
      4       3.7278      2.00000
      5       5.8771      1.95808
      6       7.4587      0.00001
      7       9.1337      0.00000
      8       9.3252      0.00000
      9      10.2854      0.00000
     10      11.1807      0.00000
     11      12.4455      0.00000
     12      12.8951      0.00000

 k-point   524 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.7631      2.00000
      2       0.3597      2.00000
      3       1.4024      2.00000
      4       3.0812      2.00000
      5       6.2787      0.91394
      6       7.7803      0.00000
      7       8.4480      0.00000
      8       9.6954      0.00000
      9      10.2096      0.00000
     10      10.7545      0.00000
     11      11.6698      0.00000
     12      13.8362      0.00000

 k-point   525 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.2730      2.00000
      2       0.5561      2.00000
      3       0.7447      2.00000
      4       2.6749      2.00000
      5       6.6839      0.02885
      6       7.7450      0.00000
      7       8.1778      0.00000
      8       9.8246      0.00000
      9      10.2017      0.00000
     10      10.7672      0.00000
     11      10.9907      0.00000
     12      13.6972      0.00000

 k-point   526 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8827      2.00000
      2      -0.4700      2.00000
      3       4.0182      2.00000
      4       5.5914      1.99754
      5       6.1793      1.38943
      6       7.2054      0.00016
      7       7.8558      0.00000
      8       8.9614      0.00000
      9       9.7613      0.00000
     10      11.8014      0.00000
     11      11.9542      0.00000
     12      13.2740      0.00000

 k-point   527 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8300      2.00000
      2      -0.4265      2.00000
      3       4.0629      2.00000
      4       5.3592      1.99976
      5       5.7135      1.99169
      6       6.7809      0.01104
      7       8.6205      0.00000
      8       9.4692      0.00000
      9       9.8143      0.00000
     10      11.1087      0.00000
     11      12.0319      0.00000
     12      13.1973      0.00000

 k-point   528 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.6724      2.00000
      2      -0.2977      2.00000
      3       4.1818      2.00000
      4       4.3980      2.00000
      5       5.3116      1.99985
      6       6.3656      0.52197
      7       9.8077      0.00000
      8      10.0540      0.00000
      9      10.1375      0.00000
     10      10.3507      0.00000
     11      11.7721      0.00000
     12      12.9412      0.00000

 k-point   529 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4110      2.00000
      2      -0.0890      2.00000
      3       3.3615      2.00000
      4       4.2831      2.00000
      5       4.7496      2.00000
      6       6.3828      0.45836
      7       9.1151      0.00000
      8      10.1928      0.00000
      9      10.8611      0.00000
     10      11.2045      0.00000
     11      11.5238      0.00000
     12      13.5038      0.00000

 k-point   530 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.0485      2.00000
      2       0.1856      2.00000
      3       2.4099      2.00000
      4       3.7483      2.00000
      5       4.8640      2.00000
      6       6.5750      0.08339
      7       8.2317      0.00000
      8      10.2450      0.00000
      9      10.5400      0.00000
     10      11.6132      0.00000
     11      13.0230      0.00000
     12      13.6951      0.00000

 k-point   531 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.5935      2.00000
      2       0.4895      2.00000
      3       1.5583      2.00000
      4       3.1293      2.00000
      5       5.2441      1.99992
      6       6.7868      0.01040
      7       7.4896      0.00001
      8       9.6424      0.00000
      9      10.9698      0.00000
     10      11.9142      0.00000
     11      12.9197      0.00000
     12      14.6049      0.00000

 k-point   532 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.0987      2.00000
      2       0.7066      2.00000
      3       0.8848      2.00000
      4       2.7242      2.00000
      5       5.6359      1.99617
      6       6.6957      0.02569
      7       7.1889      0.00019
      8       9.2667      0.00000
      9      11.4501      0.00000
     10      12.0789      0.00000
     11      12.2695      0.00000
     12      14.5922      0.00000

 k-point   533 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6118      2.00000
      2      -0.2839      2.00000
      3       3.0151      2.00000
      4       4.6849      2.00000
      5       6.4331      0.30462
      6       7.4286      0.00002
      7       8.1101      0.00000
      8       9.4273      0.00000
      9      10.7925      0.00000
     10      11.2123      0.00000
     11      12.3701      0.00000
     12      12.5891      0.00000

 k-point   534 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.5592      2.00000
      2      -0.2393      2.00000
      3       3.0622      2.00000
      4       4.6790      2.00000
      5       5.7785      1.98415
      6       6.9536      0.00197
      7       8.8802      0.00000
      8       9.9203      0.00000
      9      10.2109      0.00000
     10      11.2717      0.00000
     11      11.9653      0.00000
     12      12.9809      0.00000

 k-point   535 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4017      2.00000
      2      -0.1069      2.00000
      3       3.2011      2.00000
      4       4.4955      2.00000
      5       4.8777      2.00000
      6       6.2047      1.27650
      7       9.1330      0.00000
      8      10.1984      0.00000
      9      10.9077      0.00000
     10      11.2251      0.00000
     11      11.4360      0.00000
     12      13.4801      0.00000

 k-point   536 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.1404      2.00000
      2       0.1082      2.00000
      3       3.4100      2.00000
      4       3.6185      2.00000
      5       4.4893      2.00000
      6       5.7331      1.98990
      7       8.1613      0.00000
      8      10.2229      0.00000
      9      11.6041      0.00000
     10      11.7568      0.00000
     11      12.1080      0.00000
     12      14.0036      0.00000

 k-point   537 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.7779      2.00000
      2       0.3930      2.00000
      3       2.6633      2.00000
      4       3.5919      2.00000
      5       4.0705      2.00000
      6       5.6813      1.99397
      7       7.2753      0.00008
      8       9.5102      0.00000
      9      11.9889      0.00000
     10      12.8437      0.00000
     11      13.2722      0.00000
     12      14.8881      0.00000

 k-point   538 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.3222      2.00000
      2       0.7130      2.00000
      3       1.8144      2.00000
      4       3.1918      2.00000
      5       4.2666      2.00000
      6       5.7726      1.98505
      7       6.5335      0.12359
      8       8.9488      0.00000
      9      12.4131      0.00000
     10      13.2924      0.00000
     11      14.3144      0.00000
     12      14.8564      0.00000

 k-point   539 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.1768      2.00000
      2       0.9576      2.00000
      3       1.1292      2.00000
      4       2.8010      2.00000
      5       4.6325      2.00000
      6       5.6823      1.99391
      7       6.1646      1.44995
      8       8.6249      0.00000
      9      12.8808      0.00000
     10      13.5221      0.00000
     11      13.6996      0.00000
     12      15.7628      0.00000

 k-point   540 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2402      2.00000
      2      -0.0406      2.00000
      3       2.1037      2.00000
      4       3.8587      2.00000
      5       6.7778      0.01138
      6       7.7399      0.00000
      7       8.4641      0.00000
      8       9.6984      0.00000
      9       9.8914      0.00000
     10      11.6203      0.00000
     11      11.6246      0.00000
     12      12.7659      0.00000

 k-point   541 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1877      2.00000
      2       0.0060      2.00000
      3       2.1520      2.00000
      4       3.8760      2.00000
      5       6.1125      1.63211
      6       7.2147      0.00014
      7       9.2044      0.00000
      8       9.2739      0.00000
      9      10.2870      0.00000
     10      11.2104      0.00000
     11      12.3384      0.00000
     12      12.8251      0.00000

 k-point   542 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0305      2.00000
      2       0.1444      2.00000
      3       2.2956      2.00000
      4       3.9111      2.00000
      5       5.0681      1.99999
      6       6.3280      0.67898
      7       8.2629      0.00000
      8      10.1994      0.00000
      9      10.6009      0.00000
     10      11.6225      0.00000
     11      12.9449      0.00000
     12      13.5908      0.00000

 k-point   543 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.7695      2.00000
      2       0.3702      2.00000
      3       2.5297      2.00000
      4       3.8052      2.00000
      5       4.1654      2.00000
      6       5.5109      1.99890
      7       7.2897      0.00007
      8       9.4948      0.00000
      9      12.0483      0.00000
     10      12.8417      0.00000
     11      13.1994      0.00000
     12      14.8555      0.00000

 k-point   544 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.4074      2.00000
      2       0.6721      2.00000
      3       2.8277      2.00000
      4       3.0227      2.00000
      5       3.8540      2.00000
      6       4.9876      1.99999
      7       6.4028      0.39138
      8       8.8375      0.00000
      9      13.5076      0.00000
     10      13.6041      0.00000
     11      14.0002      0.00000
     12      15.4793      0.00000

 k-point   545 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.0484      2.00000
      2       1.0192      2.00000
      3       2.1667      2.00000
      4       3.0996      2.00000
      5       3.5362      2.00000
      6       4.8444      2.00000
      7       5.6547      1.99538
      8       8.3373      0.00000
      9      13.9261      0.00000
     10      14.7036      0.00000
     11      15.1817      0.00000
     12      15.7272      0.00000

 k-point   546 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.5505      2.00000
      2       1.3048      2.00000
      3       1.4751      2.00000
      4       2.8815      2.00000
      5       3.7216      2.00000
      6       4.7498      2.00000
      7       5.2124      1.99994
      8       8.0603      0.00000
      9      14.3842      0.00000
     10      15.0111      0.00000
     11      15.1754      0.00000
     12      16.5375      0.00000

 k-point   547 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7764      2.00000
      2       0.2013      2.00000
      3       1.3292      2.00000
      4       3.1666      2.00000
      5       7.2018      0.00016
      6       8.1071      0.00000
      7       8.9117      0.00000
      8       9.1256      0.00000
      9       9.8194      0.00000
     10      10.7805      0.00000
     11      10.9396      0.00000
     12      13.5123      0.00000

 k-point   548 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7240      2.00000
      2       0.2510      2.00000
      3       1.3780      2.00000
      4       3.1889      2.00000
      5       6.5398      0.11654
      6       7.4965      0.00001
      7       8.5129      0.00000
      8       9.6599      0.00000
      9      10.2182      0.00000
     10      10.7046      0.00000
     11      11.6857      0.00000
     12      13.9428      0.00000

 k-point   549 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.5672      2.00000
      2       0.3991      2.00000
      3       1.5234      2.00000
      4       3.2516      2.00000
      5       5.4890      1.99912
      6       6.4983      0.17120
      7       7.5275      0.00001
      8       9.5988      0.00000
      9      11.0047      0.00000
     10      11.8810      0.00000
     11      12.9282      0.00000
     12      14.4651      0.00000

 k-point   550 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.3069      2.00000
      2       0.6426      2.00000
      3       1.7620      2.00000
      4       3.3358      2.00000
      5       4.4673      2.00000
      6       5.5234      1.99875
      7       6.5534      0.10248
      8       8.9155      0.00000
      9      12.4725      0.00000
     10      13.2624      0.00000
     11      14.3117      0.00000
     12      14.7069      0.00000

 k-point   551 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.0545      2.00000
      2       0.9737      2.00000
      3       2.0847      2.00000
      4       3.3106      2.00000
      5       3.6261      2.00000
      6       4.6606      2.00000
      7       5.6624      1.99501
      8       8.3195      0.00000
      9      14.0210      0.00000
     10      14.6535      0.00000
     11      15.0459      0.00000
     12      15.7361      0.00000

 k-point   552 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.5098      2.00000
      2       1.3691      2.00000
      3       2.4551      2.00000
      4       2.6194      2.00000
      5       3.4099      2.00000
      6       4.0633      2.00000
      7       4.8978      2.00000
      8       7.8770      0.00000
      9      15.3896      0.00000
     10      15.6170      0.00000
     11      15.8944      0.00000
     12      16.8169      0.00000

 k-point   553 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       1.0141      2.00000
      2       1.7309      2.00000
      3       1.9124      2.00000
      4       2.8103      2.00000
      5       3.0561      2.00000
      6       3.9218      2.00000
      7       4.3668      2.00000
      8       7.6383      0.00000
      9      15.8703      0.00000
     10      16.4477      0.00000
     11      16.5834      0.00000
     12      16.9671      0.00000

 k-point   554 :       0.0000   -0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.4316      2.00000
      2       0.5526      2.00000
      3       0.7615      2.00000
      4       2.6436      2.00000
      5       7.4975      0.00001
      6       8.4959      0.00000
      7       8.7779      0.00000
      8       9.2236      0.00000
      9      10.0208      0.00000
     10      10.1457      0.00000
     11      10.2661      0.00000
     12      13.3438      0.00000

 k-point   555 :       0.0769   -0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3797      2.00000
      2       0.6040      2.00000
      3       0.8142      2.00000
      4       2.6642      2.00000
      5       6.8459      0.00578
      6       7.8294      0.00000
      7       8.0666      0.00000
      8       9.6887      0.00000
      9      10.0173      0.00000
     10      10.9096      0.00000
     11      11.0611      0.00000
     12      13.7239      0.00000

 k-point   556 :       0.1538   -0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2244      2.00000
      2       0.7579      2.00000
      3       0.9720      2.00000
      4       2.7229      2.00000
      5       5.8028      1.97983
      6       6.7835      0.01076
      7       6.9918      0.00135
      8       9.1393      0.00000
      9      11.2997      0.00000
     10      12.2122      0.00000
     11      12.3829      0.00000
     12      14.6351      0.00000

 k-point   557 :       0.2308   -0.4615    0.4615
  band No.  band energies     occupation 
      1       0.0333      2.00000
      2       1.0126      2.00000
      3       1.2345      2.00000
      4       2.8105      2.00000
      5       4.7810      2.00000
      6       5.7624      1.98649
      7       5.9510      1.91416
      8       8.5241      0.00000
      9      12.7575      0.00000
     10      13.6511      0.00000
     11      13.8204      0.00000
     12      15.8021      0.00000

 k-point   558 :       0.3077   -0.4615    0.4615
  band No.  band energies     occupation 
      1       0.3902      2.00000
      2       1.3641      2.00000
      3       1.6004      2.00000
      4       2.9065      2.00000
      5       3.8445      2.00000
      6       4.8232      2.00000
      7       4.9907      1.99999
      8       7.9876      0.00000
      9      14.2897      0.00000
     10      15.1469      0.00000
     11      15.2895      0.00000
     12      16.1592      0.00000

 k-point   559 :       0.3846   -0.4615    0.4615
  band No.  band energies     occupation 
      1       0.8370      2.00000
      2       1.7991      2.00000
      3       2.0665      2.00000
      4       2.8719      2.00000
      5       3.1330      2.00000
      6       3.9914      2.00000
      7       4.1250      2.00000
      8       7.5924      0.00000
      9      15.8110      0.00000
     10      16.5078      0.00000
     11      16.6140      0.00000
     12      16.7115      0.00000

 k-point   560 :       0.4615   -0.4615    0.4615
  band No.  band energies     occupation 
      1       1.3181      2.00000
      2       2.2189      2.00000
      3       2.3084      2.00000
      4       2.6128      2.00000
      5       3.1091      2.00000
      6       3.3385      2.00000
      7       3.3782      2.00000
      8       7.3816      0.00003
      9      16.9237      0.00000
     10      16.9547      0.00000
     11      17.4299      0.00000
     12      17.8429      0.00000

 k-point   561 :       0.0000   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.9112      2.00000
      2       0.4282      2.00000
      3       1.3695      2.00000
      4       3.0111      2.00000
      5       7.0520      0.00074
      6       8.3102      0.00000
      7       8.7653      0.00000
      8       9.2879      0.00000
      9      10.0743      0.00000
     10      10.5345      0.00000
     11      10.8929      0.00000
     12      13.3931      0.00000

 k-point   562 :       0.0769   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8593      2.00000
      2       0.4776      2.00000
      3       1.4213      2.00000
      4       3.0322      2.00000
      5       6.3978      0.40749
      6       7.7075      0.00000
      7       8.6047      0.00000
      8       9.4964      0.00000
      9      10.1165      0.00000
     10      10.8938      0.00000
     11      11.6501      0.00000
     12      13.7716      0.00000

 k-point   563 :       0.1538   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7041      2.00000
      2       0.6250      2.00000
      3       1.5763      2.00000
      4       3.0912      2.00000
      5       5.3562      1.99977
      6       6.7146      0.02130
      7       7.5548      0.00000
      8       9.4545      0.00000
      9      10.8577      0.00000
     10      12.1141      0.00000
     11      12.9458      0.00000
     12      14.2365      0.00000

 k-point   564 :       0.2308   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.4471      2.00000
      2       0.8672      2.00000
      3       1.8337      2.00000
      4       3.1702      2.00000
      5       4.3444      2.00000
      6       5.7408      1.98910
      7       6.5301      0.12756
      8       8.8011      0.00000
      9      12.3091      0.00000
     10      13.4900      0.00000
     11      14.3523      0.00000
     12      14.5214      0.00000

 k-point   565 :       0.3077   -0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.0915      2.00000
      2       1.1960      2.00000
      3       2.1909      2.00000
      4       3.1529      2.00000
      5       3.5097      2.00000
      6       4.8684      2.00000
      7       5.5846      1.99770
      8       8.2278      0.00000
      9      13.8324      0.00000
     10      14.7004      0.00000
     11      15.0692      0.00000
     12      15.7689      0.00000

 k-point   566 :       0.3846   -0.3846    0.4615
  band No.  band energies     occupation 
      1       0.3517      2.00000
      2       1.5851      2.00000
      3       2.5033      2.00000
      4       2.6401      2.00000
      5       3.3392      2.00000
      6       4.1875      2.00000
      7       4.7379      2.00000
      8       7.8029      0.00000
      9      15.0568      0.00000
     10      15.4943      0.00000
     11      16.2212      0.00000
     12      16.6152      0.00000

 k-point   567 :       0.4615   -0.3846    0.4615
  band No.  band energies     occupation 
      1       0.8208      2.00000
      2       1.7749      2.00000
      3       2.0271      2.00000
      4       3.0621      2.00000
      5       3.2137      2.00000
      6       3.8860      2.00000
      7       4.0377      2.00000
      8       7.5746      0.00000
      9      15.5120      0.00000
     10      16.2849      0.00000
     11      16.5946      0.00000
     12      17.0859      0.00000

 k-point   568 :       0.0000   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.3424      2.00000
      2       0.1121      2.00000
      3       2.2341      2.00000
      4       3.6409      2.00000
      5       6.6512      0.03980
      6       7.9064      0.00000
      7       8.3455      0.00000
      8       9.8618      0.00000
      9      10.0971      0.00000
     10      11.3244      0.00000
     11      11.6892      0.00000
     12      12.4745      0.00000

 k-point   569 :       0.0769   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2904      2.00000
      2       0.1589      2.00000
      3       2.2854      2.00000
      4       3.6585      2.00000
      5       5.9931      1.87208
      6       7.3714      0.00003
      7       9.0879      0.00000
      8       9.4371      0.00000
      9      10.3611      0.00000
     10      11.0414      0.00000
     11      12.4204      0.00000
     12      12.5901      0.00000

 k-point   570 :       0.1538   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1348      2.00000
      2       0.2979      2.00000
      3       2.4391      2.00000
      4       3.6990      2.00000
      5       4.9539      2.00000
      6       6.4689      0.22326
      7       8.3784      0.00000
      8       9.9979      0.00000
      9      10.4736      0.00000
     10      11.7480      0.00000
     11      12.7754      0.00000
     12      13.7146      0.00000

 k-point   571 :       0.2308   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.8771      2.00000
      2       0.5248      2.00000
      3       2.6938      2.00000
      4       3.6567      2.00000
      5       4.0135      2.00000
      6       5.6166      1.99684
      7       7.3614      0.00003
      8       9.3197      0.00000
      9      11.8917      0.00000
     10      12.7474      0.00000
     11      13.3195      0.00000
     12      15.0459      0.00000

 k-point   572 :       0.3077   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.5208      2.00000
      2       0.8283      2.00000
      3       2.9266      2.00000
      4       3.0449      2.00000
      5       3.7262      2.00000
      6       4.9907      1.99999
      7       6.4221      0.33430
      8       8.6906      0.00000
      9      13.1220      0.00000
     10      13.5073      0.00000
     11      14.4420      0.00000
     12      15.6686      0.00000

 k-point   573 :       0.3846   -0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.0771      2.00000
      2       1.1742      2.00000
      3       2.1088      2.00000
      4       3.3270      2.00000
      5       3.5451      2.00000
      6       4.7433      2.00000
      7       5.5806      1.99779
      8       8.2155      0.00000
      9      13.5757      0.00000
     10      14.8868      0.00000
     11      15.2749      0.00000
     12      15.6010      0.00000

 k-point   574 :       0.4615   -0.3077    0.4615
  band No.  band energies     occupation 
      1       0.3908      2.00000
      2       1.3311      2.00000
      3       1.5912      2.00000
      4       2.9868      2.00000
      5       4.0108      2.00000
      6       4.7166      2.00000
      7       4.8841      2.00000
      8       7.9551      0.00000
      9      13.9726      0.00000
     10      14.8813      0.00000
     11      15.6686      0.00000
     12      16.2549      0.00000

 k-point   575 :       0.0000   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6853      2.00000
      2      -0.1772      2.00000
      3       3.1987      2.00000
      4       4.4207      2.00000
      5       6.3356      0.64536
      6       7.5559      0.00000
      7       8.0027      0.00000
      8       9.5241      0.00000
      9      11.0201      0.00000
     10      11.0490      0.00000
     11      12.2614      0.00000
     12      12.5577      0.00000

 k-point   576 :       0.0769   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6331      2.00000
      2      -0.1323      2.00000
      3       3.2495      2.00000
      4       4.4245      2.00000
      5       5.6741      1.99439
      6       7.0698      0.00062
      7       8.7651      0.00000
      8      10.0561      0.00000
      9      10.3513      0.00000
     10      11.0832      0.00000
     11      11.7983      0.00000
     12      13.2873      0.00000

 k-point   577 :       0.1538   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4770      2.00000
      2       0.0009      2.00000
      3       3.4013      2.00000
      4       4.3576      2.00000
      5       4.6831      2.00000
      6       6.2795      0.91020
      7       9.2974      0.00000
      8      10.0773      0.00000
      9      10.7442      0.00000
     10      10.9082      0.00000
     11      11.7100      0.00000
     12      13.7279      0.00000

 k-point   578 :       0.2308   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2184      2.00000
      2       0.2174      2.00000
      3       3.5451      2.00000
      4       3.6558      2.00000
      5       4.3123      2.00000
      6       5.6848      1.99376
      7       8.2906      0.00000
      8       9.9898      0.00000
      9      11.2827      0.00000
     10      11.6005      0.00000
     11      12.5914      0.00000
     12      14.1668      0.00000

 k-point   579 :       0.3077   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.8608      2.00000
      2       0.5042      2.00000
      3       2.6129      2.00000
      4       3.8139      2.00000
      5       4.0408      2.00000
      6       5.5049      1.99896
      7       7.3579      0.00003
      8       9.3086      0.00000
      9      11.6751      0.00000
     10      12.9746      0.00000
     11      13.5224      0.00000
     12      14.7007      0.00000

 k-point   580 :       0.3846   -0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.4153      2.00000
      2       0.8237      2.00000
      3       1.7800      2.00000
      4       3.2734      2.00000
      5       4.4623      2.00000
      6       5.5689      1.99804
      7       6.5225      0.13693
      8       8.7782      0.00000
      9      12.0760      0.00000
     10      13.6241      0.00000
     11      14.2159      0.00000
     12      14.8219      0.00000

 k-point   581 :       0.4615   -0.2308    0.4615
  band No.  band energies     occupation 
      1       0.0551      2.00000
      2       0.9757      2.00000
      3       1.2248      2.00000
      4       2.8673      2.00000
      5       4.9539      2.00000
      6       5.6572      1.99526
      7       5.8329      1.97284
      8       8.4772      0.00000
      9      12.4615      0.00000
     10      13.4365      0.00000
     11      14.1800      0.00000
     12      15.9829      0.00000

 k-point   582 :       0.0000   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.9303      2.00000
      2      -0.4013      2.00000
      3       4.2436      2.00000
      4       5.2957      1.99987
      5       6.1132      1.63005
      6       7.2914      0.00007
      7       7.7444      0.00000
      8       8.8843      0.00000
      9       9.8603      0.00000
     10      12.0436      0.00000
     11      12.1786      0.00000
     12      13.3129      0.00000

 k-point   583 :       0.0769   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8780      2.00000
      2      -0.3577      2.00000
      3       4.2933      2.00000
      4       5.2334      1.99993
      5       5.4767      1.99922
      6       6.8494      0.00558
      7       8.5080      0.00000
      8       9.2451      0.00000
      9      10.0896      0.00000
     10      11.3557      0.00000
     11      12.0849      0.00000
     12      13.0072      0.00000

 k-point   584 :       0.1538   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7214      2.00000
      2      -0.2281      2.00000
      3       4.3431      2.00000
      4       4.4553      2.00000
      5       5.0963      1.99998
      6       6.2904      0.85637
      7       9.5737      0.00000
      8       9.8213      0.00000
      9      10.3290      0.00000
     10      10.8382      0.00000
     11      11.5597      0.00000
     12      12.9915      0.00000

 k-point   585 :       0.2308   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4618      2.00000
      2      -0.0183      2.00000
      3       3.3272      2.00000
      4       4.4969      2.00000
      5       4.7196      2.00000
      6       6.1618      1.46092
      7       9.2913      0.00000
      8       9.8622      0.00000
      9      10.8232      0.00000
     10      11.1425      0.00000
     11      11.7624      0.00000
     12      13.5366      0.00000

 k-point   586 :       0.3077   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.1028      2.00000
      2       0.2577      2.00000
      3       2.3788      2.00000
      4       3.8059      2.00000
      5       5.0525      1.99999
      6       6.3001      0.80907
      7       8.3702      0.00000
      8       9.8957      0.00000
      9      10.3959      0.00000
     10      11.9158      0.00000
     11      13.0465      0.00000
     12      13.4624      0.00000

 k-point   587 :       0.3846   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.6551      2.00000
      2       0.5613      2.00000
      3       1.5390      2.00000
      4       3.1758      2.00000
      5       5.4904      1.99910
      6       6.5137      0.14858
      7       7.5429      0.00001
      8       9.4080      0.00000
      9      10.6836      0.00000
     10      12.2112      0.00000
     11      12.8853      0.00000
     12      14.5610      0.00000

 k-point   588 :       0.4615   -0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.1806      2.00000
      2       0.7182      2.00000
      3       0.9518      2.00000
      4       2.7648      2.00000
      5       5.9745      1.89266
      6       6.6804      0.02986
      7       6.8635      0.00485
      8       9.0694      0.00000
      9      11.0405      0.00000
     10      12.0518      0.00000
     11      12.7270      0.00000
     12      14.8265      0.00000

 k-point   589 :       0.0000   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0738      2.00000
      2      -0.5460      2.00000
      3       5.3154      1.99984
      4       5.9860      1.88034
      5       6.2038      1.28046
      6       7.1218      0.00037
      7       7.5545      0.00000
      8       7.9044      0.00000
      9       8.9582      0.00000
     10      11.5361      0.00000
     11      13.1592      0.00000
     12      14.2133      0.00000

 k-point   590 :       0.0769   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0213      2.00000
      2      -0.5031      2.00000
      3       5.2780      1.99989
      4       5.3795      1.99970
      5       6.0608      1.76311
      6       6.7513      0.01480
      7       8.1435      0.00000
      8       8.3353      0.00000
      9       9.3039      0.00000
     10      11.6530      0.00000
     11      12.4061      0.00000
     12      13.7859      0.00000

 k-point   591 :       0.1538   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8643      2.00000
      2      -0.3757      2.00000
      3       4.2265      2.00000
      4       5.3599      1.99976
      5       5.5327      1.99863
      6       6.6787      0.03036
      7       8.4166      0.00000
      8       9.4772      0.00000
      9      10.1141      0.00000
     10      11.3470      0.00000
     11      11.9745      0.00000
     12      12.9349      0.00000

 k-point   592 :       0.2308   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.6040      2.00000
      2      -0.1698      2.00000
      3       3.1914      2.00000
      4       4.5326      2.00000
      5       5.7671      1.98585
      6       6.8590      0.00507
      7       8.6786      0.00000
      8      10.2135      0.00000
      9      10.3390      0.00000
     10      11.3346      0.00000
     11      11.6909      0.00000
     12      12.9048      0.00000

 k-point   593 :       0.3077   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2437      2.00000
      2       0.1001      2.00000
      3       2.2385      2.00000
      4       3.7521      2.00000
      5       6.1088      1.64300
      6       7.1373      0.00031
      7       8.9863      0.00000
      8       9.4227      0.00000
      9      10.5051      0.00000
     10      10.9718      0.00000
     11      12.3539      0.00000
     12      12.8673      0.00000

 k-point   594 :       0.3846   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.7938      2.00000
      2       0.3951      2.00000
      3       1.3937      2.00000
      4       3.1032      2.00000
      5       6.5392      0.11712
      6       7.4599      0.00001
      7       8.5812      0.00000
      8       9.3591      0.00000
      9      10.1189      0.00000
     10      10.8886      0.00000
     11      11.7340      0.00000
     12      13.9948      0.00000

 k-point   595 :       0.4615   -0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.3142      2.00000
      2       0.5618      2.00000
      3       0.7791      2.00000
      4       2.6944      2.00000
      5       7.0078      0.00115
      6       7.7206      0.00000
      7       7.9213      0.00000
      8       9.5198      0.00000
      9       9.8595      0.00000
     10      10.8506      0.00000
     11      11.3926      0.00000
     12      13.8448      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000   0.000
  5.264  22.372  -0.000  -0.000   0.000
 -0.000  -0.000  -0.285  -0.000  -0.000
 -0.000  -0.000  -0.000  -0.285   0.000
  0.000   0.000  -0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.081  -0.022   0.000   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.094   0.006   0.000
  0.000   0.000   0.006   0.094   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.2869: real time    0.2869
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.5920: real time    0.5920
    STRESS:  cpu time    7.0902: real time    7.0963
    FORCOR:  cpu time    0.0462: real time    0.0462
    FORHAR:  cpu time    0.0133: real time    0.0133
    MIXING:  cpu time    0.0051: real time    0.0051
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.46749   -72.19435   -72.35000    -0.00000     1.91784    -0.00000
  Hartree     1.13346     1.12348     1.14418    -0.00000    -0.06835    -0.00000
  E(xc)     -27.42499   -27.43439   -27.42837     0.00000    -0.06554     0.00000
  Local      -3.92653    -4.14712    -4.01169    -0.00000    -1.74498     0.00000
  n-local    58.92584    59.02862    58.96219    -0.00646     0.70759     0.24529
  augment    -3.03577    -3.03909    -3.03636    -0.00000    -0.03419    -0.00000
  Kinetic    46.92834    46.88462    46.90491    -0.02351     0.13115    -3.67229
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.01963     0.10853     0.07164     0.00000     0.84351     0.00000
  in kB       0.48191     2.66398     1.75831     0.00000    20.70413     0.00000
  external pressure =        1.63 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140 -0.201341607     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.012416708  0.248334166

  length of vectors
     4.025488200  4.031862538  4.026832140     0.248417074  0.248334166  0.248644390


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.130E-14 -.186E-15 -.137E-15   -.244E-15 -.994E-16 -.141E-15   -.680E-27 -.121E-27 0.629E-27   0.308E-16 -.165E-16 -.152E-17
   -.222E-14 -.158E-13 0.298E-13   -.635E-16 0.970E-16 -.108E-14   -.197E-26 -.246E-27 0.493E-27   -.176E-15 0.108E-15 -.341E-17
   -.234E-14 0.118E-13 -.931E-13   0.696E-15 -.596E-15 0.726E-15   -.988E-27 -.197E-27 0.902E-28   -.256E-15 -.108E-15 0.191E-16
   0.515E-14 -.520E-14 -.410E-14   -.536E-15 0.543E-15 0.552E-15   0.963E-26 -.501E-27 -.323E-27   0.277E-15 0.132E-15 -.588E-17
 -----------------------------------------------------------------------------------------------
   0.190E-14 -.940E-14 -.675E-13   -.147E-15 -.559E-16 0.548E-16   0.599E-26 -.106E-26 0.890E-27   -.124E-15 0.115E-15 0.828E-17
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000      0.000000     -0.000000
      2.01274      2.01342     -0.10067         0.000000     -0.000000      0.000000
      2.01274      0.00000      2.01342         0.000000      0.000000      0.000000
      0.00000      2.01342      1.91275        -0.000000      0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.53197246 eV

  energy  without entropy=      -13.48945505  energy(sigma->0) =      -13.51071376
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.6126338E-06 0.613E-06
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0546: real time    0.0546


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   5/ 13
  Displacement:        2/  2
  Total:              10/ 26
  LATTYP: Found a simple monoclinic cell.
 ALAT       =     5.8379334791
 B/A-ratio  =     0.6897701309
 C/A-ratio  =     1.5743186705
 COS(beta)  =    -0.9532717365
  
  Lattice vectors:
  
 A1 = (  -4.2268298073,   0.0000000000,  -4.0268321403)
 A2 = (   0.0000000000,  -4.0268321403,   0.0000000000)
 A3 = (   4.4281714143,   0.0000000000,   8.0536642805)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    595 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000 -0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000 -0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000 -0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923 -0.000000      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.230769  0.076923 -0.000000      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.384615  0.076923 -0.000000      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846 -0.000000      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.230769  0.153846 -0.000000      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.384615  0.153846 -0.000000      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.076923  0.230769 -0.000000      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.230769  0.230769 -0.000000      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.384615  0.230769 -0.000000      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.076923  0.307692 -0.000000      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.230769  0.307692 -0.000000      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.384615  0.307692 -0.000000      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.076923  0.384615 -0.000000      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.230769  0.384615 -0.000000      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.384615  0.384615 -0.000000      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.076923  0.461538 -0.000000      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.230769  0.461538 -0.000000      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.384615  0.461538 -0.000000      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.000000  0.000000  0.076923      2.000000
  0.076923  0.000000  0.076923      2.000000
  0.153846  0.000000  0.076923      2.000000
  0.230769  0.000000  0.076923      2.000000
  0.307692  0.000000  0.076923      2.000000
  0.384615  0.000000  0.076923      2.000000
  0.461538  0.000000  0.076923      2.000000
 -0.461538  0.000000  0.076923      2.000000
 -0.384615  0.000000  0.076923      2.000000
 -0.307692  0.000000  0.076923      2.000000
 -0.230769  0.000000  0.076923      2.000000
 -0.153846  0.000000  0.076923      2.000000
 -0.076923  0.000000  0.076923      2.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      4.000000
  0.153846  0.076923  0.076923      4.000000
  0.230769  0.076923  0.076923      4.000000
  0.307692  0.076923  0.076923      4.000000
  0.384615  0.076923  0.076923      4.000000
  0.461538  0.076923  0.076923      4.000000
 -0.461538  0.076923  0.076923      4.000000
 -0.384615  0.076923  0.076923      4.000000
 -0.307692  0.076923  0.076923      4.000000
 -0.230769  0.076923  0.076923      4.000000
 -0.153846  0.076923  0.076923      4.000000
 -0.076923  0.076923  0.076923      4.000000
  0.000000  0.153846  0.076923      4.000000
  0.076923  0.153846  0.076923      4.000000
  0.153846  0.153846  0.076923      4.000000
  0.230769  0.153846  0.076923      4.000000
  0.307692  0.153846  0.076923      4.000000
  0.384615  0.153846  0.076923      4.000000
  0.461538  0.153846  0.076923      4.000000
 -0.461538  0.153846  0.076923      4.000000
 -0.384615  0.153846  0.076923      4.000000
 -0.307692  0.153846  0.076923      4.000000
 -0.230769  0.153846  0.076923      4.000000
 -0.153846  0.153846  0.076923      4.000000
 -0.076923  0.153846  0.076923      4.000000
  0.000000  0.230769  0.076923      4.000000
  0.076923  0.230769  0.076923      4.000000
  0.153846  0.230769  0.076923      4.000000
  0.230769  0.230769  0.076923      4.000000
  0.307692  0.230769  0.076923      4.000000
  0.384615  0.230769  0.076923      4.000000
  0.461538  0.230769  0.076923      4.000000
 -0.461538  0.230769  0.076923      4.000000
 -0.384615  0.230769  0.076923      4.000000
 -0.307692  0.230769  0.076923      4.000000
 -0.230769  0.230769  0.076923      4.000000
 -0.153846  0.230769  0.076923      4.000000
 -0.076923  0.230769  0.076923      4.000000
  0.000000  0.307692  0.076923      4.000000
  0.076923  0.307692  0.076923      4.000000
  0.153846  0.307692  0.076923      4.000000
  0.230769  0.307692  0.076923      4.000000
  0.307692  0.307692  0.076923      4.000000
  0.384615  0.307692  0.076923      4.000000
  0.461538  0.307692  0.076923      4.000000
 -0.461538  0.307692  0.076923      4.000000
 -0.384615  0.307692  0.076923      4.000000
 -0.307692  0.307692  0.076923      4.000000
 -0.230769  0.307692  0.076923      4.000000
 -0.153846  0.307692  0.076923      4.000000
 -0.076923  0.307692  0.076923      4.000000
  0.000000  0.384615  0.076923      4.000000
  0.076923  0.384615  0.076923      4.000000
  0.153846  0.384615  0.076923      4.000000
  0.230769  0.384615  0.076923      4.000000
  0.307692  0.384615  0.076923      4.000000
  0.384615  0.384615  0.076923      4.000000
  0.461538  0.384615  0.076923      4.000000
 -0.461538  0.384615  0.076923      4.000000
 -0.384615  0.384615  0.076923      4.000000
 -0.307692  0.384615  0.076923      4.000000
 -0.230769  0.384615  0.076923      4.000000
 -0.153846  0.384615  0.076923      4.000000
 -0.076923  0.384615  0.076923      4.000000
  0.000000  0.461538  0.076923      4.000000
  0.076923  0.461538  0.076923      4.000000
  0.153846  0.461538  0.076923      4.000000
  0.230769  0.461538  0.076923      4.000000
  0.307692  0.461538  0.076923      4.000000
  0.384615  0.461538  0.076923      4.000000
  0.461538  0.461538  0.076923      4.000000
 -0.461538  0.461538  0.076923      4.000000
 -0.384615  0.461538  0.076923      4.000000
 -0.307692  0.461538  0.076923      4.000000
 -0.230769  0.461538  0.076923      4.000000
 -0.153846  0.461538  0.076923      4.000000
 -0.076923  0.461538  0.076923      4.000000
  0.000000  0.000000  0.153846      2.000000
  0.076923  0.000000  0.153846      2.000000
  0.153846  0.000000  0.153846      2.000000
  0.230769  0.000000  0.153846      2.000000
  0.307692  0.000000  0.153846      2.000000
  0.384615  0.000000  0.153846      2.000000
  0.461538  0.000000  0.153846      2.000000
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    WAVPRE:  cpu time    1.0637: real time    1.1089
    FEWALD:  cpu time    0.0023: real time    0.0023
    GENKIN:  cpu time    0.1207: real time    0.1207
    ORTHCH:  cpu time    3.7218: real time    3.7223
     LOOP+:  cpu time  224.6305: real time  224.7956


--------------------------------------- Iteration     12(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0510: real time    0.0529
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   44.2747: real time   44.2948
       DOS:  cpu time    0.0193: real time    0.0193
    CHARGE:  cpu time    0.2849: real time    0.2849
    MIXING:  cpu time    0.0036: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time   44.6373: real time   44.6591

 eigenvalue-minimisations  : 18144
 total energy-change (2. order) :-0.9592461E-02  (-0.1496727E+00)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1064480 magnetization 

 Broyden mixing:
  rms(total) = 0.52666E-01    rms(broyden)= 0.52666E-01
  rms(prec ) = 0.14457E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.39966461
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80214277
  PAW double counting   =       429.42047214     -328.07458184
  entropy T*S    EENTRO =        -0.04265785
  eigenvalues    EBANDS =        22.56640958
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54156570 eV

  energy without entropy =      -13.49890785  energy(sigma->0) =      -13.52023677


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0510: real time    0.0517
    SETDIJ:  cpu time    0.0040: real time    0.0040
     EDDAV:  cpu time   40.8964: real time   40.9161
       DOS:  cpu time    0.0178: real time    0.0178
    CHARGE:  cpu time    0.2839: real time    0.2839
    MIXING:  cpu time    0.0035: real time    0.0035
    --------------------------------------------
      LOOP:  cpu time   41.2565: real time   41.2770

 eigenvalue-minimisations  : 16356
 total energy-change (2. order) : 0.4764882E-02  (-0.3101604E-02)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1061828 magnetization 

 Broyden mixing:
  rms(total) = 0.33048E-01    rms(broyden)= 0.33048E-01
  rms(prec ) = 0.90227E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.6295
  2.6295

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.39684580
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80263676
  PAW double counting   =       429.08461742     -327.73915936
  entropy T*S    EENTRO =        -0.04258553
  eigenvalues    EBANDS =        22.56920959
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53680082 eV

  energy without entropy =      -13.49421528  energy(sigma->0) =      -13.51550805


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0501: real time    0.0504
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   42.9371: real time   42.9564
       DOS:  cpu time    0.0183: real time    0.0183
    CHARGE:  cpu time    0.2837: real time    0.2837
    MIXING:  cpu time    0.0051: real time    0.0051
    --------------------------------------------
      LOOP:  cpu time   43.2982: real time   43.3177

 eigenvalue-minimisations  : 17740
 total energy-change (2. order) : 0.4783812E-02  (-0.8591351E-03)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060472 magnetization 

 Broyden mixing:
  rms(total) = 0.37075E-02    rms(broyden)= 0.37075E-02
  rms(prec ) = 0.11166E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8479
  1.1732  2.5227

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.40314070
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80089219
  PAW double counting   =       429.20112879     -327.85575120
  entropy T*S    EENTRO =        -0.04248475
  eigenvalues    EBANDS =        22.57852340
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53201701 eV

  energy without entropy =      -13.48953226  energy(sigma->0) =      -13.51077463


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0515: real time    0.0518
    SETDIJ:  cpu time    0.0032: real time    0.0032
     EDDAV:  cpu time   41.8504: real time   41.8694
       DOS:  cpu time    0.0201: real time    0.0201
    CHARGE:  cpu time    0.2833: real time    0.2834
    MIXING:  cpu time    0.0055: real time    0.0055
    --------------------------------------------
      LOOP:  cpu time   42.2140: real time   42.2334

 eigenvalue-minimisations  : 16920
 total energy-change (2. order) : 0.3885440E-04  (-0.4379967E-04)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060569 magnetization 

 Broyden mixing:
  rms(total) = 0.20752E-02    rms(broyden)= 0.20752E-02
  rms(prec ) = 0.53589E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8204
  1.0421  2.6379  1.7812

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.40162926
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80114685
  PAW double counting   =       429.39723155     -328.05154841
  entropy T*S    EENTRO =        -0.04249934
  eigenvalues    EBANDS =        22.57701451
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53197815 eV

  energy without entropy =      -13.48947882  energy(sigma->0) =      -13.51072848


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0577: real time    0.0582
    SETDIJ:  cpu time    0.0042: real time    0.0042
     EDDAV:  cpu time   43.3977: real time   43.4153
       DOS:  cpu time    0.0163: real time    0.0163
    CHARGE:  cpu time    0.2815: real time    0.2815
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   43.7619: real time   43.7799

 eigenvalue-minimisations  : 18000
 total energy-change (2. order) : 0.3903200E-04  (-0.3999859E-05)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060547 magnetization 

 Broyden mixing:
  rms(total) = 0.44436E-03    rms(broyden)= 0.44436E-03
  rms(prec ) = 0.96545E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8228
  2.8021  2.1681  0.9761  1.3448

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.40141742
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80113527
  PAW double counting   =       429.52336638     -328.17748451
  entropy T*S    EENTRO =        -0.04250534
  eigenvalues    EBANDS =        22.57663740
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53193912 eV

  energy without entropy =      -13.48943378  energy(sigma->0) =      -13.51068645


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0499: real time    0.0502
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   39.9520: real time   39.9674
       DOS:  cpu time    0.0201: real time    0.0201
    --------------------------------------------
      LOOP:  cpu time   40.0260: real time   40.0417

 eigenvalue-minimisations  : 16928
 total energy-change (2. order) : 0.1502691E-05  (-0.2359373E-06)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060547 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.40121649
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80116228
  PAW double counting   =       429.53156365     -328.18566887
  entropy T*S    EENTRO =        -0.04250640
  eigenvalues    EBANDS =        22.57645313
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53193762 eV

  energy without entropy =      -13.48943122  energy(sigma->0) =      -13.51068442


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2435       2 -74.2394       3 -74.2418       4 -74.2377
 
 
 
 E-fermi :   6.2616     XC(G=0):  -9.5660     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6253      2.00000
      2       4.2582      2.00000
      3       4.3281      2.00000
      4       4.4099      2.00000
      5       5.5443      1.99847
      6       5.5699      1.99802
      7       7.6089      0.00000
      8      11.8886      0.00000
      9      12.5246      0.00000
     10      12.6941      0.00000
     11      12.7400      0.00000
     12      12.8177      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5758      2.00000
      2       3.6501      2.00000
      3       4.3768      2.00000
      4       4.3773      2.00000
      5       5.5990      1.99735
      6       6.1709      1.42483
      7       7.8124      0.00000
      8      11.2013      0.00000
      9      11.5896      0.00000
     10      12.3878      0.00000
     11      12.8492      0.00000
     12      12.9732      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4283      2.00000
      2       2.6239      2.00000
      3       4.5135      2.00000
      4       4.5245      2.00000
      5       5.7621      1.98654
      6       6.7678      0.01259
      7       8.5901      0.00000
      8      10.1900      0.00000
      9      10.4710      0.00000
     10      11.6052      0.00000
     11      12.8804      0.00000
     12      12.9402      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1858      2.00000
      2       1.6292      2.00000
      3       4.7461      2.00000
      4       4.7685      2.00000
      5       6.0319      1.81718
      6       7.0491      0.00076
      7       9.2017      0.00000
      8       9.4323      0.00000
      9       9.8783      0.00000
     10      10.7002      0.00000
     11      12.3876      0.00000
     12      13.1164      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8567      2.00000
      2       0.7231      2.00000
      3       5.0694      1.99999
      4       5.1057      1.99998
      5       6.4039      0.38830
      6       7.2193      0.00014
      7       8.3266      0.00000
      8       8.4949      0.00000
      9       9.8017      0.00000
     10      11.2722      0.00000
     11      12.0446      0.00000
     12      13.3772      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4656      2.00000
      2      -0.0565      2.00000
      3       5.4731      1.99925
      4       5.5237      1.99875
      5       6.8572      0.00517
      6       7.2978      0.00006
      7       7.6114      0.00000
      8       7.6757      0.00000
      9       8.9674      0.00000
     10      11.4665      0.00000
     11      13.1315      0.00000
     12      13.7049      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1125      2.00000
      2      -0.6047      2.00000
      3       5.8967      1.94926
      4       5.9514      1.91392
      5       6.8275      0.00694
      6       7.0471      0.00078
      7       7.4210      0.00002
      8       7.5193      0.00001
      9       8.2391      0.00000
     10      11.3059      0.00000
     11      14.0227      0.00000
     12      14.4360      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6403      2.00000
      3       4.3064      2.00000
      4       4.4595      2.00000
      5       5.6172      1.99682
      6       6.1566      1.48129
      7       7.8067      0.00000
      8      11.4528      0.00000
      9      11.6521      0.00000
     10      12.1820      0.00000
     11      12.2482      0.00000
     12      12.7295      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5265      2.00000
      2       3.5689      2.00000
      3       3.8387      2.00000
      4       4.4279      2.00000
      5       5.9345      1.92686
      6       6.5176      0.14353
      7       7.9625      0.00000
      8      10.8143      0.00000
      9      11.2822      0.00000
     10      11.7396      0.00000
     11      12.4857      0.00000
     12      12.8956      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6563      2.00000
      3       3.8790      2.00000
      4       4.5656      2.00000
      5       6.1465      1.51945
      6       7.1401      0.00031
      7       8.6385      0.00000
      8       9.8033      0.00000
      9      10.3072      0.00000
     10      11.8052      0.00000
     11      12.0087      0.00000
     12      12.8863      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1361      2.00000
      2       1.6704      2.00000
      3       4.1134      2.00000
      4       4.8002      2.00000
      5       6.3966      0.41180
      6       7.4394      0.00002
      7       8.8046      0.00000
      8       9.3025      0.00000
      9       9.9529      0.00000
     10      11.1222      0.00000
     11      12.0446      0.00000
     12      12.5557      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8066      2.00000
      2       0.7667      2.00000
      3       4.4428      2.00000
      4       5.1252      1.99998
      5       6.6909      0.02696
      6       7.5882      0.00000
      7       7.9812      0.00000
      8       8.4685      0.00000
      9      10.2438      0.00000
     10      11.3663      0.00000
     11      12.1011      0.00000
     12      12.4170      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4147      2.00000
      2      -0.0126      2.00000
      3       4.8483      2.00000
      4       5.5290      1.99868
      5       6.7640      0.01307
      6       7.3104      0.00006
      7       7.7190      0.00000
      8       7.9565      0.00000
      9       9.4347      0.00000
     10      11.6499      0.00000
     11      12.6455      0.00000
     12      13.2030      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0600      2.00000
      2      -0.5620      2.00000
      3       5.2520      1.99992
      4       5.9454      1.91872
      5       6.3459      0.60151
      6       6.8820      0.00403
      7       7.7875      0.00000
      8       8.1296      0.00000
      9       8.7342      0.00000
     10      11.4720      0.00000
     11      13.0389      0.00000
     12      13.9655      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4290      2.00000
      2       2.6117      2.00000
      3       4.4502      2.00000
      4       4.6084      2.00000
      5       5.7756      1.98461
      6       6.7665      0.01275
      7       8.5719      0.00000
      8      10.4112      0.00000
      9      10.5127      0.00000
     10      11.4187      0.00000
     11      12.3111      0.00000
     12      12.7105      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3794      2.00000
      2       2.6448      2.00000
      3       3.8876      2.00000
      4       4.5746      2.00000
      5       6.1503      1.50527
      6       7.1485      0.00028
      7       8.6221      0.00000
      8       9.8355      0.00000
      9      10.4961      0.00000
     10      11.4706      0.00000
     11      11.8706      0.00000
     12      13.0513      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5872      2.00000
      3       3.0740      2.00000
      4       4.7119      2.00000
      5       6.4119      0.36388
      6       8.0601      0.00000
      7       8.6657      0.00000
      8       9.1534      0.00000
      9      10.3685      0.00000
     10      10.7412      0.00000
     11      11.9919      0.00000
     12      12.7100      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9879      2.00000
      2       1.7800      2.00000
      3       3.1259      2.00000
      4       4.9462      2.00000
      5       6.5753      0.08320
      6       7.9185      0.00000
      7       8.5956      0.00000
      8       9.4305      0.00000
      9      10.0679      0.00000
     10      10.9154      0.00000
     11      11.5105      0.00000
     12      12.6464      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6570      2.00000
      2       0.8936      2.00000
      3       3.4296      2.00000
      4       5.2709      1.99990
      5       6.4678      0.22561
      6       7.4545      0.00001
      7       8.5514      0.00000
      8       8.8616      0.00000
      9      10.7726      0.00000
     10      11.1398      0.00000
     11      11.6154      0.00000
     12      12.5478      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2625      2.00000
      2       0.1171      2.00000
      3       3.8151      2.00000
      4       5.6733      1.99444
      5       5.9217      1.93531
      6       7.4234      0.00002
      7       7.9619      0.00000
      8       8.9833      0.00000
      9      10.1874      0.00000
     10      11.5575      0.00000
     11      12.2437      0.00000
     12      12.8728      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9027      2.00000
      2      -0.4356      2.00000
      3       4.1858      2.00000
      4       5.4049      1.99962
      5       6.0970      1.67668
      6       7.0314      0.00091
      7       7.9944      0.00000
      8       8.9909      0.00000
      9       9.8511      0.00000
     10      11.8553      0.00000
     11      12.0847      0.00000
     12      13.0243      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1874      2.00000
      2       1.6187      2.00000
      3       4.6876      2.00000
      4       4.8559      2.00000
      5       6.0385      1.80603
      6       7.0544      0.00072
      7       9.3939      0.00000
      8       9.4663      0.00000
      9       9.8380      0.00000
     10      10.5389      0.00000
     11      12.3099      0.00000
     12      12.5317      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1376      2.00000
      2       1.6601      2.00000
      3       4.1212      2.00000
      4       4.8178      2.00000
      5       6.3945      0.41868
      6       7.4551      0.00001
      7       8.8366      0.00000
      8       9.4684      0.00000
      9       9.9010      0.00000
     10      10.9709      0.00000
     11      11.7301      0.00000
     12      12.5968      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7708      2.00000
      3       3.1359      2.00000
      4       4.9543      2.00000
      5       6.5714      0.08636
      6       7.9306      0.00000
      7       8.6064      0.00000
      8       9.6032      0.00000
      9      10.0352      0.00000
     10      10.6589      0.00000
     11      11.4317      0.00000
     12      12.8063      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7441      2.00000
      2       1.7656      2.00000
      3       2.3791      2.00000
      4       5.1881      1.99996
      5       6.3664      0.51930
      6       7.4700      0.00001
      7       9.5834      0.00000
      8       9.7099      0.00000
      9       9.9669      0.00000
     10      10.4114      0.00000
     11      11.4268      0.00000
     12      12.5017      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4107      2.00000
      2       1.0822      2.00000
      3       2.4686      2.00000
      4       5.5123      1.99889
      5       5.7193      1.99121
      6       7.5404      0.00001
      7       8.8033      0.00000
      8      10.0333      0.00000
      9      10.1795      0.00000
     10      11.1971      0.00000
     11      11.4922      0.00000
     12      12.6215      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0113      2.00000
      2       0.3250      2.00000
      3       2.8142      2.00000
      4       5.0289      1.99999
      5       5.9156      1.93902
      6       7.6634      0.00000
      7       8.1976      0.00000
      8       9.8331      0.00000
      9      10.5421      0.00000
     10      11.1612      0.00000
     11      12.1283      0.00000
     12      12.8693      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6420      2.00000
      2      -0.2313      2.00000
      3       3.1493      2.00000
      4       4.5166      2.00000
      5       6.3351      0.64792
      6       7.2765      0.00008
      7       8.2559      0.00000
      8       9.5100      0.00000
      9      10.9039      0.00000
     10      11.2660      0.00000
     11      12.0420      0.00000
     12      12.7265      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8596      2.00000
      2       0.7149      2.00000
      3       5.0126      1.99999
      4       5.2004      1.99995
      5       6.4039      0.38816
      6       7.2310      0.00012
      7       8.4744      0.00000
      8       8.5211      0.00000
      9       9.6664      0.00000
     10      11.2229      0.00000
     11      12.0095      0.00000
     12      12.8506      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8093      2.00000
      2       0.7587      2.00000
      3       4.4481      2.00000
      4       5.1540      1.99997
      5       6.6826      0.02926
      6       7.6051      0.00000
      7       8.0466      0.00000
      8       8.5434      0.00000
      9      10.1282      0.00000
     10      11.3383      0.00000
     11      11.9193      0.00000
     12      12.2966      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8861      2.00000
      3       3.4389      2.00000
      4       5.2885      1.99988
      5       6.4663      0.22865
      6       7.4784      0.00001
      7       8.6029      0.00000
      8       8.9183      0.00000
      9      10.6085      0.00000
     10      11.0431      0.00000
     11      11.5299      0.00000
     12      12.6494      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4120      2.00000
      2       1.0760      2.00000
      3       2.4761      2.00000
      4       5.5180      1.99882
      5       5.7256      1.99064
      6       7.5531      0.00000
      7       8.8792      0.00000
      8       9.9473      0.00000
      9      10.1244      0.00000
     10      11.1657      0.00000
     11      11.4884      0.00000
     12      12.7072      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0743      2.00000
      2       1.1397      2.00000
      3       1.8020      2.00000
      4       4.9187      2.00000
      5       5.8463      1.96903
      6       7.8055      0.00000
      7       9.0566      0.00000
      8       9.2835      0.00000
      9      10.5828      0.00000
     10      11.3604      0.00000
     11      11.9950      0.00000
     12      12.5639      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6666      2.00000
      2       0.5849      2.00000
      3       1.9168      2.00000
      4       4.2111      2.00000
      5       6.2481      1.06741
      6       7.9957      0.00000
      7       8.5020      0.00000
      8       9.5968      0.00000
      9      10.2544      0.00000
     10      11.3957      0.00000
     11      12.0627      0.00000
     12      12.5244      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2809      2.00000
      2       0.0361      2.00000
      3       2.1950      2.00000
      4       3.7215      2.00000
      5       6.6664      0.03432
      6       7.6115      0.00000
      7       8.6017      0.00000
      8       9.7639      0.00000
      9      10.0461      0.00000
     10      11.1295      0.00000
     11      11.9574      0.00000
     12      12.7999      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4705      2.00000
      2      -0.0619      2.00000
      3       5.4056      1.99962
      4       5.6358      1.99618
      5       6.8689      0.00460
      6       7.3582      0.00003
      7       7.6728      0.00000
      8       7.6950      0.00000
      9       8.8493      0.00000
     10      11.4197      0.00000
     11      13.1300      0.00000
     12      13.2506      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4193      2.00000
      2      -0.0179      2.00000
      3       4.8477      2.00000
      4       5.5712      1.99799
      5       6.7646      0.01299
      6       7.4581      0.00001
      7       7.6870      0.00000
      8       7.9438      0.00000
      9       9.3587      0.00000
     10      11.6028      0.00000
     11      12.4488      0.00000
     12      13.1130      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1122      2.00000
      3       3.8222      2.00000
      4       5.6924      1.99328
      5       5.9392      1.92342
      6       7.5870      0.00000
      7       7.8442      0.00000
      8       8.9944      0.00000
      9      10.1280      0.00000
     10      11.3722      0.00000
     11      12.2694      0.00000
     12      12.9301      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0145      2.00000
      2       0.3209      2.00000
      3       2.8207      2.00000
      4       5.0319      1.99999
      5       5.9387      1.92380
      6       7.8201      0.00000
      7       8.0844      0.00000
      8       9.7756      0.00000
      9      10.4152      0.00000
     10      11.1649      0.00000
     11      12.3206      0.00000
     12      12.7402      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6685      2.00000
      2       0.5820      2.00000
      3       1.9210      2.00000
      4       4.2133      2.00000
      5       6.2587      1.01419
      6       8.1330      0.00000
      7       8.4079      0.00000
      8       9.4918      0.00000
      9      10.1993      0.00000
     10      11.5851      0.00000
     11      11.9546      0.00000
     12      12.5486      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2458      2.00000
      2       0.7189      2.00000
      3       1.2991      2.00000
      4       3.5227      2.00000
      5       6.6594      0.03676
      6       8.3927      0.00000
      7       8.7812      0.00000
      8       8.8826      0.00000
      9      10.2513      0.00000
     10      10.8683      0.00000
     11      11.4041      0.00000
     12      13.5856      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8293      2.00000
      2       0.3280      2.00000
      3       1.3472      2.00000
      4       3.0701      2.00000
      5       7.0784      0.00057
      6       8.0166      0.00000
      7       9.0199      0.00000
      8       9.1567      0.00000
      9      10.0335      0.00000
     10      10.3476      0.00000
     11      11.1807      0.00000
     12      13.4840      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1200      2.00000
      2      -0.6071      2.00000
      3       5.7760      1.98455
      4       6.1191      1.61209
      5       6.9958      0.00129
      6       7.1178      0.00038
      7       7.4152      0.00002
      8       7.4366      0.00002
      9       8.1165      0.00000
     10      11.2691      0.00000
     11      13.6653      0.00000
     12      14.0322      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0673      2.00000
      2      -0.5643      2.00000
      3       5.2366      1.99993
      4       6.0048      1.85750
      5       6.3593      0.54673
      6       7.0844      0.00053
      7       7.6182      0.00000
      8       8.1453      0.00000
      9       8.6968      0.00000
     10      11.4398      0.00000
     11      12.7801      0.00000
     12      14.1268      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9095      2.00000
      2      -0.4375      2.00000
      3       4.1888      2.00000
      4       5.4135      1.99959
      5       6.1346      1.56140
      6       7.2245      0.00013
      7       7.8076      0.00000
      8       8.9784      0.00000
      9       9.8591      0.00000
     10      11.7060      0.00000
     11      11.9999      0.00000
     12      13.2380      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6479      2.00000
      2      -0.2326      2.00000
      3       3.1536      2.00000
      4       4.5235      2.00000
      5       6.3589      0.54836
      6       7.4599      0.00001
      7       8.0798      0.00000
      8       9.4713      0.00000
      9      10.7475      0.00000
     10      11.2873      0.00000
     11      12.1907      0.00000
     12      12.6798      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2855      2.00000
      2       0.0358      2.00000
      3       2.1979      2.00000
      4       3.7259      2.00000
      5       6.6769      0.03093
      6       7.7815      0.00000
      7       8.4447      0.00000
      8       9.7091      0.00000
      9       9.9042      0.00000
     10      11.3634      0.00000
     11      11.8531      0.00000
     12      12.8364      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8322      2.00000
      2       0.3291      2.00000
      3       1.3479      2.00000
      4       3.0720      2.00000
      5       7.0772      0.00057
      6       8.1668      0.00000
      7       8.8249      0.00000
      8       9.1541      0.00000
      9       9.8515      0.00000
     10      10.6790      0.00000
     11      11.0665      0.00000
     12      13.5009      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3450      2.00000
      2       0.5077      2.00000
      3       0.7096      2.00000
      4       2.6638      2.00000
      5       7.5051      0.00001
      6       8.3971      0.00000
      7       8.5430      0.00000
      8       9.4350      0.00000
      9       9.7186      0.00000
     10      10.2115      0.00000
     11      10.5459      0.00000
     12      13.3758      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5267      2.00000
      2       3.5575      2.00000
      3       3.8306      2.00000
      4       4.4501      2.00000
      5       5.9545      1.91134
      6       6.4995      0.16953
      7       7.9569      0.00000
      8      10.7984      0.00000
      9      11.2836      0.00000
     10      11.7576      0.00000
     11      12.4936      0.00000
     12      12.9077      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4817      2.00000
      2       3.6118      2.00000
      3       3.7278      2.00000
      4       4.0334      2.00000
      5       6.5170      0.14429
      6       6.5388      0.11766
      7       8.0579      0.00000
      8      10.2478      0.00000
      9      10.8431      0.00000
     10      11.2589      0.00000
     11      12.8056      0.00000
     12      13.3285      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3386      2.00000
      2       2.7515      2.00000
      3       3.8104      2.00000
      4       4.1285      2.00000
      5       6.6351      0.04664
      6       7.2696      0.00008
      7       8.6052      0.00000
      8       9.2993      0.00000
      9      10.0391      0.00000
     10      11.2505      0.00000
     11      12.5607      0.00000
     12      13.2481      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.1000      2.00000
      2       1.7628      2.00000
      3       4.0761      2.00000
      4       4.3699      2.00000
      5       6.8496      0.00557
      6       7.5314      0.00001
      7       8.3313      0.00000
      8       9.0477      0.00000
      9       9.9743      0.00000
     10      11.4768      0.00000
     11      11.7616      0.00000
     12      13.0626      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7739      2.00000
      2       0.8537      2.00000
      3       4.4332      2.00000
      4       4.6957      2.00000
      5       7.1256      0.00035
      6       7.3138      0.00005
      7       7.7242      0.00000
      8       8.4338      0.00000
      9      10.8685      0.00000
     10      11.4034      0.00000
     11      11.7926      0.00000
     12      12.5680      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3831      2.00000
      2       0.0660      2.00000
      3       4.8658      2.00000
      4       5.0748      1.99999
      5       6.5992      0.06610
      6       7.1229      0.00036
      7       7.6888      0.00000
      8       8.2758      0.00000
      9      10.0500      0.00000
     10      11.8760      0.00000
     11      12.2424      0.00000
     12      13.1533      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0199      2.00000
      2      -0.5019      2.00000
      3       5.2756      1.99990
      4       5.3804      1.99970
      5       6.0601      1.76477
      6       6.7499      0.01503
      7       8.1429      0.00000
      8       8.3311      0.00000
      9       9.3020      0.00000
     10      11.6516      0.00000
     11      12.4035      0.00000
     12      13.7828      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3795      2.00000
      2       2.6440      2.00000
      3       3.8687      2.00000
      4       4.5968      2.00000
      5       6.1658      1.44553
      6       7.1309      0.00034
      7       8.6201      0.00000
      8       9.8189      0.00000
      9      10.5159      0.00000
     10      11.4751      0.00000
     11      11.8783      0.00000
     12      13.0571      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3345      2.00000
      2       2.6785      2.00000
      3       3.8802      2.00000
      4       4.0898      2.00000
      5       6.6832      0.02906
      6       7.2620      0.00009
      7       8.6641      0.00000
      8       9.7856      0.00000
      9       9.9156      0.00000
     10      10.7462      0.00000
     11      12.2517      0.00000
     12      13.2321      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1910      2.00000
      2       2.6576      2.00000
      3       3.1183      2.00000
      4       4.1883      2.00000
      5       7.0129      0.00109
      6       8.0702      0.00000
      7       8.7367      0.00000
      8       8.9818      0.00000
      9       9.5686      0.00000
     10      10.3856      0.00000
     11      12.6125      0.00000
     12      13.4253      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9518      2.00000
      2       1.8722      2.00000
      3       3.1497      2.00000
      4       4.4516      2.00000
      5       7.1204      0.00037
      6       7.9352      0.00000
      7       8.3464      0.00000
      8       8.9324      0.00000
      9      10.0082      0.00000
     10      10.5819      0.00000
     11      12.3740      0.00000
     12      13.0578      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6244      2.00000
      2       0.9810      2.00000
      3       3.4552      2.00000
      4       4.7927      2.00000
      5       6.7607      0.01351
      6       7.4541      0.00001
      7       7.9653      0.00000
      8       9.0766      0.00000
      9      10.7301      0.00000
     10      11.5304      0.00000
     11      11.6249      0.00000
     12      12.8444      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2311      2.00000
      2       0.1963      2.00000
      3       3.8437      2.00000
      4       5.1704      1.99996
      5       6.0475      1.78969
      6       6.9784      0.00154
      7       8.0975      0.00000
      8       9.2887      0.00000
      9      10.7823      0.00000
     10      11.1169      0.00000
     11      12.3392      0.00000
     12      13.0448      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8629      2.00000
      2      -0.3746      2.00000
      3       4.2240      2.00000
      4       5.3582      1.99976
      5       5.5339      1.99862
      6       6.6791      0.03029
      7       8.4174      0.00000
      8       9.4734      0.00000
      9      10.1106      0.00000
     10      11.3449      0.00000
     11      11.9712      0.00000
     12      12.9324      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1377      2.00000
      2       1.6598      2.00000
      3       4.1018      2.00000
      4       4.8399      2.00000
      5       6.4101      0.36924
      6       7.4356      0.00002
      7       8.8202      0.00000
      8       9.4891      0.00000
      9       9.9022      0.00000
     10      10.9770      0.00000
     11      11.7296      0.00000
     12      12.5871      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0926      2.00000
      2       1.6990      2.00000
      3       4.1346      2.00000
      4       4.2997      2.00000
      5       6.9335      0.00241
      6       7.5736      0.00000
      7       8.7711      0.00000
      8       9.0626      0.00000
      9       9.9318      0.00000
     10      10.8374      0.00000
     11      11.3958      0.00000
     12      12.7805      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9484      2.00000
      2       1.8108      2.00000
      3       3.2215      2.00000
      4       4.4081      2.00000
      5       7.1716      0.00022
      6       8.0068      0.00000
      7       8.5509      0.00000
      8       9.0967      0.00000
      9       9.6630      0.00000
     10      10.3597      0.00000
     11      11.9050      0.00000
     12      13.3435      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7079      2.00000
      2       1.8333      2.00000
      3       2.4345      2.00000
      4       4.6656      2.00000
      5       6.7184      0.02054
      6       7.7423      0.00000
      7       8.6904      0.00000
      8       9.4445      0.00000
      9       9.8322      0.00000
     10      10.5981      0.00000
     11      12.1124      0.00000
     12      13.0802      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3781      2.00000
      2       1.1689      2.00000
      3       2.4993      2.00000
      4       4.9681      2.00000
      5       5.9729      1.89435
      6       7.6992      0.00000
      7       8.1810      0.00000
      8       9.7621      0.00000
      9      10.3556      0.00000
     10      11.6278      0.00000
     11      11.9315      0.00000
     12      12.5102      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9802      2.00000
      2       0.4050      2.00000
      3       2.8452      2.00000
      4       4.9741      1.99999
      5       5.6194      1.99676
      6       7.1796      0.00021
      7       8.3550      0.00000
      8      10.1090      0.00000
      9      10.4911      0.00000
     10      11.4278      0.00000
     11      12.0234      0.00000
     12      12.6062      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6028      2.00000
      2      -0.1689      2.00000
      3       3.1896      2.00000
      4       4.5311      2.00000
      5       5.7684      1.98568
      6       6.8594      0.00505
      7       8.6794      0.00000
      8      10.2127      0.00000
      9      10.3376      0.00000
     10      11.3284      0.00000
     11      11.6881      0.00000
     12      12.9013      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8095      2.00000
      2       0.7584      2.00000
      3       4.4285      2.00000
      4       5.1758      1.99996
      5       6.6993      0.02481
      6       7.5792      0.00000
      7       8.0380      0.00000
      8       8.5641      0.00000
      9      10.1311      0.00000
     10      11.3357      0.00000
     11      11.9176      0.00000
     12      12.2930      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7640      2.00000
      2       0.7992      2.00000
      3       4.4891      2.00000
      4       4.5904      2.00000
      5       7.2512      0.00010
      6       7.6349      0.00000
      7       7.8711      0.00000
      8       8.4001      0.00000
      9      10.5297      0.00000
     10      10.9942      0.00000
     11      11.4256      0.00000
     12      12.3952      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6186      2.00000
      2       0.9247      2.00000
      3       3.5306      2.00000
      4       4.7121      2.00000
      5       6.8290      0.00684
      6       7.7869      0.00000
      7       8.1506      0.00000
      8       8.9847      0.00000
      9      10.0462      0.00000
     10      11.0884      0.00000
     11      11.6559      0.00000
     12      12.8073      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3757      2.00000
      2       1.1154      2.00000
      3       2.5627      2.00000
      4       4.9297      2.00000
      5       6.0014      1.86194
      6       7.9661      0.00000
      7       8.3816      0.00000
      8       9.2068      0.00000
      9      10.2213      0.00000
     10      11.4637      0.00000
     11      11.8230      0.00000
     12      12.6949      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0418      2.00000
      2       1.2031      2.00000
      3       1.8589      2.00000
      4       4.8504      2.00000
      5       5.5930      1.99751
      6       8.0299      0.00000
      7       8.3504      0.00000
      8       8.9483      0.00000
      9      11.1367      0.00000
     10      11.7522      0.00000
     11      11.8618      0.00000
     12      12.2218      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6360      2.00000
      2       0.6649      2.00000
      3       1.9514      2.00000
      4       4.2430      2.00000
      5       5.8713      1.96044
      6       7.4747      0.00001
      7       8.6391      0.00000
      8       9.2098      0.00000
      9      11.0816      0.00000
     10      11.1401      0.00000
     11      12.0922      0.00000
     12      12.6818      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2428      2.00000
      2       0.1007      2.00000
      3       2.2373      2.00000
      4       3.7511      2.00000
      5       6.1099      1.64007
      6       7.1376      0.00031
      7       8.9869      0.00000
      8       9.4219      0.00000
      9      10.5051      0.00000
     10      10.9704      0.00000
     11      12.3527      0.00000
     12      12.8597      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4195      2.00000
      2      -0.0181      2.00000
      3       4.8279      2.00000
      4       5.5926      1.99752
      5       6.7629      0.01321
      6       7.4602      0.00001
      7       7.7048      0.00000
      8       7.9329      0.00000
      9       9.3549      0.00000
     10      11.5969      0.00000
     11      12.4500      0.00000
     12      13.1134      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3733      2.00000
      2       0.0227      2.00000
      3       4.9204      2.00000
      4       4.9465      2.00000
      5       6.9245      0.00264
      6       7.2890      0.00007
      7       7.8089      0.00000
      8       8.1951      0.00000
      9       9.7182      0.00000
     10      11.3101      0.00000
     11      11.8791      0.00000
     12      13.1677      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2255      2.00000
      2       0.1503      2.00000
      3       3.9166      2.00000
      4       5.0653      1.99999
      5       6.1565      1.48189
      6       7.3882      0.00003
      7       8.1414      0.00000
      8       9.1637      0.00000
      9      10.2904      0.00000
     10      10.5183      0.00000
     11      12.2085      0.00000
     12      12.9261      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9780      2.00000
      2       0.3573      2.00000
      3       2.9129      2.00000
      4       4.9490      2.00000
      5       5.6460      1.99577
      6       7.6378      0.00000
      7       8.3422      0.00000
      8       9.4690      0.00000
      9      10.1773      0.00000
     10      11.1790      0.00000
     11      11.9765      0.00000
     12      13.1803      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6362      2.00000
      2       0.6197      2.00000
      3       2.0072      2.00000
      4       4.2488      2.00000
      5       5.8771      1.95810
      6       7.9337      0.00000
      7       8.4916      0.00000
      8       8.7915      0.00000
      9      10.5572      0.00000
     10      11.2503      0.00000
     11      12.5712      0.00000
     12      12.6287      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.2161      2.00000
      2       0.7778      2.00000
      3       1.3600      2.00000
      4       3.5681      2.00000
      5       6.2699      0.95834
      6       7.7974      0.00000
      7       8.4205      0.00000
      8       8.9734      0.00000
      9      10.3554      0.00000
     10      11.0730      0.00000
     11      12.0262      0.00000
     12      13.9114      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7932      2.00000
      2       0.3954      2.00000
      3       1.3932      2.00000
      4       3.1027      2.00000
      5       6.5400      0.11639
      6       7.4597      0.00001
      7       8.5809      0.00000
      8       9.3594      0.00000
      9      10.1184      0.00000
     10      10.8885      0.00000
     11      11.7337      0.00000
     12      13.9933      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5645      2.00000
      3       5.2168      1.99994
      4       6.0247      1.82882
      5       6.3452      0.60464
      6       7.1056      0.00043
      7       7.6462      0.00000
      8       8.1300      0.00000
      9       8.6810      0.00000
     10      11.4349      0.00000
     11      12.7816      0.00000
     12      14.1353      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0200      2.00000
      2      -0.5246      2.00000
      3       5.2052      1.99995
      4       5.4684      1.99928
      5       6.2217      1.19655
      6       6.8862      0.00387
      7       8.2169      0.00000
      8       8.3424      0.00000
      9       8.9845      0.00000
     10      11.4673      0.00000
     11      11.8233      0.00000
     12      13.3777      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8674      2.00000
      2      -0.4003      2.00000
      3       4.2819      2.00000
      4       5.3116      1.99985
      5       5.6997      1.99277
      6       6.8911      0.00368
      7       8.4282      0.00000
      8       9.3003      0.00000
      9       9.9040      0.00000
     10      10.7382      0.00000
     11      11.7393      0.00000
     12      12.7957      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.6110      2.00000
      2      -0.1970      2.00000
      3       3.2503      2.00000
      4       4.5557      2.00000
      5       5.8809      1.95652
      6       7.1007      0.00045
      7       8.6390      0.00000
      8       9.7131      0.00000
      9       9.9084      0.00000
     10      11.2088      0.00000
     11      11.4801      0.00000
     12      13.2045      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2537      2.00000
      2       0.0710      2.00000
      3       2.2922      2.00000
      4       3.7740      2.00000
      5       6.2468      1.07358
      6       7.3967      0.00002
      7       8.9073      0.00000
      8       8.9397      0.00000
      9       9.9786      0.00000
     10      10.9493      0.00000
     11      12.7917      0.00000
     12      12.9695      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.8044      2.00000
      2       0.3671      2.00000
      3       1.4372      2.00000
      4       3.1171      2.00000
      5       6.6891      0.02744
      6       7.7077      0.00000
      7       8.1808      0.00000
      8       9.2936      0.00000
      9       9.7784      0.00000
     10      10.8339      0.00000
     11      12.1128      0.00000
     12      14.1070      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3142      2.00000
      2       0.5618      2.00000
      3       0.7791      2.00000
      4       2.6944      2.00000
      5       7.0080      0.00115
      6       7.7201      0.00000
      7       7.9216      0.00000
      8       9.5198      0.00000
      9       9.8592      0.00000
     10      10.8510      0.00000
     11      11.3926      0.00000
     12      13.8448      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2321      2.00000
      2       2.5768      2.00000
      3       3.0669      2.00000
      4       4.7340      2.00000
      5       6.4356      0.29846
      6       8.0408      0.00000
      7       8.6479      0.00000
      8       9.1447      0.00000
      9      10.3753      0.00000
     10      10.7589      0.00000
     11      12.0105      0.00000
     12      12.7243      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1916      2.00000
      2       2.6486      2.00000
      3       3.1109      2.00000
      4       4.2071      2.00000
      5       7.0386      0.00084
      6       8.0501      0.00000
      7       8.7199      0.00000
      8       8.9763      0.00000
      9       9.5750      0.00000
     10      10.3971      0.00000
     11      12.6311      0.00000
     12      13.4237      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0522      2.00000
      2       2.7942      2.00000
      3       2.9471      2.00000
      4       3.5422      2.00000
      5       8.0860      0.00000
      6       8.1308      0.00000
      7       8.3653      0.00000
      8       8.8981      0.00000
      9       8.9305      0.00000
     10      10.0662      0.00000
     11      13.1997      0.00000
     12      13.7783      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8168      2.00000
      2       2.0504      2.00000
      3       3.1023      2.00000
      4       3.6303      2.00000
      5       7.3334      0.00004
      6       7.9962      0.00000
      7       8.4576      0.00000
      8       9.0410      0.00000
      9       9.3627      0.00000
     10      10.4671      0.00000
     11      13.0707      0.00000
     12      13.5859      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4922      2.00000
      2       1.1566      2.00000
      3       3.4665      2.00000
      4       3.8992      2.00000
      5       6.4699      0.22148
      6       7.2856      0.00007
      7       8.7230      0.00000
      8       9.3532      0.00000
      9       9.7827      0.00000
     10      11.6879      0.00000
     11      12.3353      0.00000
     12      12.7310      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0988      2.00000
      2       0.3639      2.00000
      3       3.9142      2.00000
      4       4.2099      2.00000
      5       5.6907      1.99339
      6       6.6600      0.03652
      7       9.1128      0.00000
      8       9.6182      0.00000
      9      10.1089      0.00000
     10      11.5516      0.00000
     11      11.9644      0.00000
     12      13.0811      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7200      2.00000
      2      -0.2270      2.00000
      3       4.3411      2.00000
      4       4.4564      2.00000
      5       5.0956      1.99998
      6       6.2893      0.86219
      7       9.5736      0.00000
      8       9.8162      0.00000
      9      10.3269      0.00000
     10      10.8352      0.00000
     11      11.5576      0.00000
     12      12.9903      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9896      2.00000
      2       1.7691      2.00000
      3       3.1200      2.00000
      4       4.9763      1.99999
      5       6.5913      0.07134
      6       7.9171      0.00000
      7       8.5810      0.00000
      8       9.6225      0.00000
      9      10.0358      0.00000
     10      10.6652      0.00000
     11      11.4474      0.00000
     12      12.8107      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9489      2.00000
      2       1.8094      2.00000
      3       3.2058      2.00000
      4       4.4274      2.00000
      5       7.1906      0.00018
      6       7.9961      0.00000
      7       8.5316      0.00000
      8       9.1068      0.00000
      9       9.6659      0.00000
     10      10.3613      0.00000
     11      11.9212      0.00000
     12      13.3212      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.8090      2.00000
      2       1.9302      2.00000
      3       3.2049      2.00000
      4       3.6182      2.00000
      5       7.7912      0.00000
      6       8.0038      0.00000
      7       8.4961      0.00000
      8       8.6602      0.00000
      9       9.1987      0.00000
     10      10.4803      0.00000
     11      12.7149      0.00000
     12      13.3847      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5724      2.00000
      2       1.9998      2.00000
      3       2.5318      2.00000
      4       3.7126      2.00000
      5       6.9476      0.00209
      6       7.6648      0.00000
      7       8.4843      0.00000
      8       8.9487      0.00000
      9       9.9613      0.00000
     10      10.8043      0.00000
     11      12.6245      0.00000
     12      13.1726      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2457      2.00000
      2       1.3496      2.00000
      3       2.5979      2.00000
      4       4.0172      2.00000
      5       6.0521      1.78081
      6       7.0036      0.00120
      7       8.7676      0.00000
      8       9.1929      0.00000
      9      10.5623      0.00000
     10      11.6041      0.00000
     11      12.1499      0.00000
     12      13.0573      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8481      2.00000
      2       0.5763      2.00000
      3       2.9588      2.00000
      4       4.3479      2.00000
      5       5.2619      1.99991
      6       6.4331      0.30498
      7       9.1201      0.00000
      8       9.4830      0.00000
      9      10.8247      0.00000
     10      11.2229      0.00000
     11      12.3968      0.00000
     12      13.3784      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4607      2.00000
      2      -0.0174      2.00000
      3       3.3254      2.00000
      4       4.4959      2.00000
      5       4.7207      2.00000
      6       6.1618      1.46138
      7       9.2899      0.00000
      8       9.8628      0.00000
      9      10.8217      0.00000
     10      11.1378      0.00000
     11      11.7585      0.00000
     12      13.5327      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2       0.8851      2.00000
      3       3.4219      2.00000
      4       5.3104      1.99985
      5       6.4668      0.22770
      6       7.4879      0.00001
      7       8.6127      0.00000
      8       8.9044      0.00000
      9      10.6195      0.00000
     10      11.0472      0.00000
     11      11.5288      0.00000
     12      12.6320      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6191      2.00000
      2       0.9239      2.00000
      3       3.5139      2.00000
      4       4.7312      2.00000
      5       6.8208      0.00742
      6       7.8102      0.00000
      7       8.1607      0.00000
      8       8.9622      0.00000
      9      10.0503      0.00000
     10      11.1008      0.00000
     11      11.6528      0.00000
     12      12.7902      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4782      2.00000
      2       1.0498      2.00000
      3       3.5647      2.00000
      4       3.8569      2.00000
      5       6.8851      0.00391
      6       7.3711      0.00003
      7       8.8087      0.00000
      8       8.9731      0.00000
      9       9.4316      0.00000
     10      11.7528      0.00000
     11      11.9286      0.00000
     12      12.5181      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2395      2.00000
      2       1.2465      2.00000
      3       2.7200      2.00000
      4       3.9778      2.00000
      5       6.1385      1.54800
      6       7.3630      0.00003
      7       8.2585      0.00000
      8       9.2246      0.00000
      9      10.4649      0.00000
     10      11.5702      0.00000
     11      12.1254      0.00000
     12      12.6126      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.9090      2.00000
      2       1.3676      2.00000
      3       1.9897      2.00000
      4       4.2409      2.00000
      5       5.3515      1.99978
      6       7.1196      0.00038
      7       8.0139      0.00000
      8       9.4685      0.00000
      9      10.9273      0.00000
     10      11.7597      0.00000
     11      12.3912      0.00000
     12      12.9570      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.5042      2.00000
      2       0.8413      2.00000
      3       2.0722      2.00000
      4       4.2153      2.00000
      5       4.9853      1.99999
      6       6.5768      0.08198
      7       8.2319      0.00000
      8       9.7134      0.00000
      9      10.4565      0.00000
     10      12.1939      0.00000
     11      12.8816      0.00000
     12      13.2177      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.1019      2.00000
      2       0.2584      2.00000
      3       2.3776      2.00000
      4       3.8049      2.00000
      5       5.0536      1.99999
      6       6.3002      0.80929
      7       8.3693      0.00000
      8       9.8952      0.00000
      9      10.3960      0.00000
     10      11.9149      0.00000
     11      13.0394      0.00000
     12      13.4611      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2674      2.00000
      2       0.1113      2.00000
      3       3.8046      2.00000
      4       5.7120      1.99183
      5       5.9299      1.93002
      6       7.6121      0.00000
      7       7.8646      0.00000
      8       8.9808      0.00000
      9      10.1206      0.00000
     10      11.3755      0.00000
     11      12.2505      0.00000
     12      12.9350      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2260      2.00000
      2       0.1496      2.00000
      3       3.8992      2.00000
      4       5.0825      1.99998
      5       6.1467      1.51862
      6       7.4063      0.00002
      7       8.1675      0.00000
      8       9.1423      0.00000
      9      10.2958      0.00000
     10      10.5163      0.00000
     11      12.1954      0.00000
     12      12.9259      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0830      2.00000
      2       0.2760      2.00000
      3       4.0233      2.00000
      4       4.1385      2.00000
      5       6.0396      1.80399
      6       6.7750      0.01172
      7       9.2499      0.00000
      8       9.3642      0.00000
      9       9.5569      0.00000
     10      11.1478      0.00000
     11      11.7028      0.00000
     12      12.9101      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8401      2.00000
      2       0.4842      2.00000
      3       3.0885      2.00000
      4       4.2869      2.00000
      5       5.4081      1.99961
      6       6.7597      0.01363
      7       8.5055      0.00000
      8       9.5605      0.00000
      9      10.7096      0.00000
     10      10.9652      0.00000
     11      11.9129      0.00000
     12      13.5184      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.5024      2.00000
      2       0.7524      2.00000
      3       2.1810      2.00000
      4       4.2092      2.00000
      5       5.0336      1.99999
      6       6.9278      0.00255
      7       7.7509      0.00000
      8       9.7307      0.00000
      9      10.3631      0.00000
     10      11.7723      0.00000
     11      12.7790      0.00000
     12      13.6599      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0845      2.00000
      2       0.9384      2.00000
      3       1.5089      2.00000
      4       3.6446      2.00000
      5       5.2836      1.99989
      6       6.7787      0.01129
      7       7.4795      0.00001
      8       9.5605      0.00000
      9      10.3535      0.00000
     10      12.2129      0.00000
     11      13.1946      0.00000
     12      14.0275      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6546      2.00000
      2       0.5616      2.00000
      3       1.5385      2.00000
      4       3.1754      2.00000
      5       5.4912      1.99910
      6       6.5135      0.14897
      7       7.5426      0.00001
      8       9.4075      0.00000
      9      10.6838      0.00000
     10      12.2111      0.00000
     11      12.8849      0.00000
     12      14.5536      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9102      2.00000
      2      -0.4384      2.00000
      3       4.1703      2.00000
      4       5.4004      1.99964
      5       6.1565      1.48175
      6       7.2454      0.00011
      7       7.8379      0.00000
      8       8.9828      0.00000
      9       9.8268      0.00000
     10      11.7089      0.00000
     11      11.9848      0.00000
     12      13.2403      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8680      2.00000
      2      -0.4009      2.00000
      3       4.2640      2.00000
      4       5.3104      1.99985
      5       5.7103      1.99196
      6       6.9063      0.00316
      7       8.4591      0.00000
      8       9.2984      0.00000
      9       9.8796      0.00000
     10      10.7408      0.00000
     11      11.7304      0.00000
     12      12.7929      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7208      2.00000
      2      -0.2776      2.00000
      3       4.3572      2.00000
      4       4.5651      2.00000
      5       5.3032      1.99986
      6       6.3900      0.43356
      7       9.6203      0.00000
      8       9.7306      0.00000
      9       9.7921      0.00000
     10      10.4337      0.00000
     11      11.1492      0.00000
     12      12.8557      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4697      2.00000
      2      -0.0737      2.00000
      3       3.4396      2.00000
      4       4.4845      2.00000
      5       4.9419      2.00000
      6       6.3228      0.70324
      7       8.7602      0.00000
      8       9.8946      0.00000
      9      10.4065      0.00000
     10      10.9139      0.00000
     11      11.4607      0.00000
     12      13.4664      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.1176      2.00000
      2       0.1977      2.00000
      3       2.4846      2.00000
      4       3.8443      2.00000
      5       5.2265      1.99994
      6       6.4925      0.18065
      7       7.8942      0.00000
      8       9.7040      0.00000
      9      10.2541      0.00000
     10      11.4815      0.00000
     11      12.9010      0.00000
     12      14.2552      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6727      2.00000
      2       0.5021      2.00000
      3       1.6266      2.00000
      4       3.2023      2.00000
      5       5.6668      1.99479
      6       6.6928      0.02645
      7       7.1576      0.00026
      8       9.2492      0.00000
      9      10.6022      0.00000
     10      11.8230      0.00000
     11      13.4547      0.00000
     12      14.4654      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1806      2.00000
      2       0.7182      2.00000
      3       0.9518      2.00000
      4       2.7648      2.00000
      5       5.9748      1.89246
      6       6.6800      0.03002
      7       6.8638      0.00484
      8       9.0694      0.00000
      9      11.0402      0.00000
     10      12.0522      0.00000
     11      12.7269      0.00000
     12      14.8265      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7457      2.00000
      2       1.7563      2.00000
      3       2.3728      2.00000
      4       5.2093      1.99995
      5       6.3683      0.51184
      6       7.4815      0.00001
      7       9.5911      0.00000
      8       9.6995      0.00000
      9       9.9777      0.00000
     10      10.4000      0.00000
     11      11.4442      0.00000
     12      12.5142      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7094      2.00000
      2       1.8248      2.00000
      3       2.4277      2.00000
      4       4.6840      2.00000
      5       6.7136      0.02153
      6       7.7638      0.00000
      7       8.6983      0.00000
      8       9.4554      0.00000
      9       9.8119      0.00000
     10      10.5894      0.00000
     11      12.1337      0.00000
     12      13.0945      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5734      2.00000
      2       1.9927      2.00000
      3       2.5260      2.00000
      4       3.7266      2.00000
      5       6.9380      0.00231
      6       7.6704      0.00000
      7       8.5013      0.00000
      8       8.9701      0.00000
      9       9.9385      0.00000
     10      10.7941      0.00000
     11      12.6298      0.00000
     12      13.1909      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3401      2.00000
      2       2.2291      2.00000
      3       2.4269      2.00000
      4       3.0731      2.00000
      5       6.5813      0.07853
      6       7.0887      0.00051
      7       7.9256      0.00000
      8      10.1313      0.00000
      9      10.1690      0.00000
     10      10.9434      0.00000
     11      11.9932      0.00000
     12      13.8594      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0156      2.00000
      2       1.6170      2.00000
      3       2.6448      2.00000
      4       3.1814      2.00000
      5       5.7278      1.99043
      6       6.5921      0.07077
      7       7.9095      0.00000
      8      10.4201      0.00000
      9      10.6261      0.00000
     10      11.1541      0.00000
     11      12.3253      0.00000
     12      13.8745      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.6171      2.00000
      2       0.8340      2.00000
      3       3.0938      2.00000
      4       3.4443      2.00000
      5       4.9350      2.00000
      6       6.0286      1.82255
      7       8.1475      0.00000
      8      10.1903      0.00000
      9      10.8349      0.00000
     10      11.4013      0.00000
     11      13.2595      0.00000
     12      13.7496      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.2173      2.00000
      2       0.2184      2.00000
      3       3.5434      2.00000
      4       3.6570      2.00000
      5       4.3119      2.00000
      6       5.6840      1.99382
      7       8.2891      0.00000
      8       9.9880      0.00000
      9      11.2818      0.00000
     10      11.5952      0.00000
     11      12.5878      0.00000
     12      14.1654      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4136      2.00000
      2       1.0732      2.00000
      3       2.4628      2.00000
      4       5.5382      1.99856
      5       5.7178      1.99134
      6       7.5766      0.00000
      7       8.8983      0.00000
      8       9.9529      0.00000
      9      10.1136      0.00000
     10      11.1654      0.00000
     11      11.4924      0.00000
     12      12.7129      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3772      2.00000
      2       1.1129      2.00000
      3       2.5496      2.00000
      4       4.9455      2.00000
      5       5.9941      1.87104
      6       7.9941      0.00000
      7       8.3974      0.00000
      8       9.2137      0.00000
      9      10.1972      0.00000
     10      11.4757      0.00000
     11      11.8231      0.00000
     12      12.6997      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2404      2.00000
      2       1.2449      2.00000
      3       2.7077      2.00000
      4       3.9923      2.00000
      5       6.1288      1.58089
      6       7.3752      0.00003
      7       8.2645      0.00000
      8       9.2531      0.00000
      9      10.4329      0.00000
     10      11.5731      0.00000
     11      12.1340      0.00000
     12      12.6200      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.0054      2.00000
      2       1.4564      2.00000
      3       2.7894      2.00000
      4       3.1888      2.00000
      5       6.1405      1.54090
      6       6.4727      0.21604
      7       7.5451      0.00001
      8      10.4770      0.00000
      9      10.5310      0.00000
     10      11.0845      0.00000
     11      12.4263      0.00000
     12      13.4509      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6777      2.00000
      2       1.6298      2.00000
      3       2.1729      2.00000
      4       3.3367      2.00000
      5       5.4008      1.99963
      6       6.1620      1.46032
      7       7.1925      0.00018
      8      10.0146      0.00000
      9      10.9621      0.00000
     10      12.0445      0.00000
     11      12.8467      0.00000
     12      13.9821      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2730      2.00000
      2       1.1110      2.00000
      3       2.2694      2.00000
      4       3.6499      2.00000
      5       4.6084      2.00000
      6       5.7490      1.98818
      7       7.2655      0.00009
      8       9.5165      0.00000
      9      11.2960      0.00000
     10      12.7194      0.00000
     11      13.8980      0.00000
     12      14.0718      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8599      2.00000
      2       0.5049      2.00000
      3       2.6117      2.00000
      4       3.8133      2.00000
      5       4.0417      2.00000
      6       5.5047      1.99897
      7       7.3569      0.00003
      8       9.3076      0.00000
      9      11.6756      0.00000
     10      12.9697      0.00000
     11      13.5186      0.00000
     12      14.6987      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0161      2.00000
      2       0.3188      2.00000
      3       2.8062      2.00000
      4       5.0212      1.99999
      5       5.9599      1.90667
      6       7.8476      0.00000
      7       8.1042      0.00000
      8       9.7871      0.00000
      9      10.4207      0.00000
     10      11.1368      0.00000
     11      12.3317      0.00000
     12      12.7442      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9795      2.00000
      2       0.3554      2.00000
      3       2.8986      2.00000
      4       4.9462      2.00000
      5       5.6572      1.99527
      6       7.6559      0.00000
      7       8.3708      0.00000
      8       9.4765      0.00000
      9      10.1784      0.00000
     10      11.1619      0.00000
     11      11.9758      0.00000
     12      13.1883      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8410      2.00000
      2       0.4830      2.00000
      3       3.0749      2.00000
      4       4.2996      2.00000
      5       5.4022      1.99963
      6       6.7717      0.01210
      7       8.5092      0.00000
      8       9.5922      0.00000
      9      10.6818      0.00000
     10      10.9738      0.00000
     11      11.9138      0.00000
     12      13.5067      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6025      2.00000
      2       0.6957      2.00000
      3       3.2517      2.00000
      4       3.4313      2.00000
      5       5.2837      1.99989
      6       6.0710      1.74107
      7       7.6241      0.00000
      8      10.0779      0.00000
      9      10.9186      0.00000
     10      11.2162      0.00000
     11      12.7593      0.00000
     12      13.8378      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2686      2.00000
      2       0.9754      2.00000
      3       2.4348      2.00000
      4       3.6304      2.00000
      5       4.7422      2.00000
      6       5.9352      1.92633
      7       6.8872      0.00383
      8       9.4438      0.00000
      9      11.3306      0.00000
     10      12.5023      0.00000
     11      13.4532      0.00000
     12      14.2093      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.8525      2.00000
      2       1.1992      2.00000
      3       1.7392      2.00000
      4       3.6573      2.00000
      5       4.3861      2.00000
      6       5.7866      1.98285
      7       6.5336      0.12354
      8       8.9683      0.00000
      9      11.6815      0.00000
     10      13.4810      0.00000
     11      14.1916      0.00000
     12      14.4915      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.4148      2.00000
      2       0.8240      2.00000
      3       1.7794      2.00000
      4       3.2730      2.00000
      5       4.4631      2.00000
      6       5.5686      1.99804
      7       6.5222      0.13749
      8       8.7778      0.00000
      9      12.0762      0.00000
     10      13.6238      0.00000
     11      14.2153      0.00000
     12      14.8151      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6494      2.00000
      2      -0.2346      2.00000
      3       3.1380      2.00000
      4       4.5130      2.00000
      5       6.3803      0.46758
      6       7.4798      0.00001
      7       8.1098      0.00000
      8       9.4875      0.00000
      9      10.7551      0.00000
     10      11.2477      0.00000
     11      12.1941      0.00000
     12      12.6878      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6124      2.00000
      2      -0.1988      2.00000
      3       3.2349      2.00000
      4       4.5463      2.00000
      5       5.9003      1.94749
      6       7.1175      0.00038
      7       8.6704      0.00000
      8       9.7247      0.00000
      9       9.9207      0.00000
     10      11.1785      0.00000
     11      11.4709      0.00000
     12      13.1819      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4706      2.00000
      2      -0.0749      2.00000
      3       3.4250      2.00000
      4       4.4837      2.00000
      5       4.9522      2.00000
      6       6.3329      0.65766
      7       8.7635      0.00000
      8       9.9273      0.00000
      9      10.4177      0.00000
     10      10.9067      0.00000
     11      11.4338      0.00000
     12      13.4490      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2250      2.00000
      2       0.1325      2.00000
      3       3.6246      2.00000
      4       3.7973      2.00000
      5       4.5404      2.00000
      6       5.7473      1.98838
      7       7.7982      0.00000
      8       9.7088      0.00000
      9      11.3188      0.00000
     10      11.4453      0.00000
     11      12.0849      0.00000
     12      13.9214      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8783      2.00000
      2       0.4114      2.00000
      3       2.7695      2.00000
      4       3.8254      2.00000
      5       4.2871      2.00000
      6       5.6124      1.99697
      7       6.9237      0.00266
      8       9.0905      0.00000
      9      11.6662      0.00000
     10      12.5927      0.00000
     11      13.1242      0.00000
     12      14.7996      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.4382      2.00000
      2       0.7305      2.00000
      3       1.9132      2.00000
      4       3.3121      2.00000
      5       4.6408      2.00000
      6       5.6839      1.99382
      7       6.1788      1.39184
      8       8.6503      0.00000
      9      12.0296      0.00000
     10      13.1176      0.00000
     11      14.6138      0.00000
     12      14.9060      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.0550      2.00000
      2       0.9757      2.00000
      3       1.2248      2.00000
      4       2.8673      2.00000
      5       4.9542      2.00000
      6       5.6568      1.99529
      7       5.8332      1.97280
      8       8.4771      0.00000
      9      12.4612      0.00000
     10      13.4368      0.00000
     11      14.1798      0.00000
     12      16.0382      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0773      2.00000
      2       1.1312      2.00000
      3       1.7959      2.00000
      4       4.9106      2.00000
      5       5.8663      1.96231
      6       7.8308      0.00000
      7       9.0694      0.00000
      8       9.3003      0.00000
      9      10.6006      0.00000
     10      11.3710      0.00000
     11      11.9724      0.00000
     12      12.5664      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0446      2.00000
      2       1.1952      2.00000
      3       1.8526      2.00000
      4       4.8482      2.00000
      5       5.6046      1.99720
      6       8.0466      0.00000
      7       8.3725      0.00000
      8       8.9633      0.00000
      9      11.1467      0.00000
     10      11.7566      0.00000
     11      11.8667      0.00000
     12      12.2085      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9112      2.00000
      2       1.3607      2.00000
      3       1.9838      2.00000
      4       4.2521      2.00000
      5       5.3466      1.99979
      6       7.1277      0.00035
      7       8.0257      0.00000
      8       9.4993      0.00000
      9      10.9326      0.00000
     10      11.7378      0.00000
     11      12.3947      0.00000
     12      12.9645      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6790      2.00000
      2       1.6245      2.00000
      3       2.1681      2.00000
      4       3.3467      2.00000
      5       5.3946      1.99966
      6       6.1677      1.43769
      7       7.1988      0.00017
      8      10.0205      0.00000
      9      10.9927      0.00000
     10      12.0178      0.00000
     11      12.8372      0.00000
     12      14.0022      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.3528      2.00000
      2       1.9505      2.00000
      3       2.1983      2.00000
      4       2.7090      2.00000
      5       5.1202      1.99998
      6       5.5682      1.99805
      7       6.5845      0.07617
      8       9.3889      0.00000
      9      12.3096      0.00000
     10      12.3498      0.00000
     11      13.2828      0.00000
     12      14.7850      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.9466      2.00000
      2       1.4639      2.00000
      3       2.4637      2.00000
      4       2.8476      2.00000
      5       4.3630      2.00000
      6       5.2797      1.99989
      7       6.3962      0.41298
      8       8.9006      0.00000
      9      12.6906      0.00000
     10      13.1602      0.00000
     11      14.3645      0.00000
     12      14.9267      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.5200      2.00000
      2       0.8291      2.00000
      3       2.9254      2.00000
      4       3.0459      2.00000
      5       3.7260      2.00000
      6       4.9899      1.99999
      7       6.4211      0.33720
      8       8.6897      0.00000
      9      13.1209      0.00000
     10      13.5015      0.00000
     11      14.4375      0.00000
     12      15.6679      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6714      2.00000
      2       0.5779      2.00000
      3       1.9098      2.00000
      4       4.2051      2.00000
      5       6.2787      0.91435
      6       8.1598      0.00000
      7       8.4267      0.00000
      8       9.5037      0.00000
      9      10.2196      0.00000
     10      11.6012      0.00000
     11      11.9631      0.00000
     12      12.5102      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6390      2.00000
      2       0.6159      2.00000
      3       1.9962      2.00000
      4       4.2414      2.00000
      5       5.8944      1.95039
      6       7.9499      0.00000
      7       8.5132      0.00000
      8       8.8089      0.00000
      9      10.5783      0.00000
     10      11.2562      0.00000
     11      12.5417      0.00000
     12      12.6377      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5046      2.00000
      2       0.7494      2.00000
      3       2.1705      2.00000
      4       4.2076      2.00000
      5       5.0425      1.99999
      6       6.9399      0.00226
      7       7.7579      0.00000
      8       9.7580      0.00000
      9      10.3751      0.00000
     10      11.7796      0.00000
     11      12.7547      0.00000
     12      13.6697      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2699      2.00000
      2       0.9735      2.00000
      3       2.4253      2.00000
      4       3.6396      2.00000
      5       4.7384      2.00000
      6       5.9432      1.92046
      7       6.8908      0.00370
      8       9.4476      0.00000
      9      11.3652      0.00000
     10      12.4740      0.00000
     11      13.4646      0.00000
     12      14.2081      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.9391      2.00000
      2       1.2744      2.00000
      3       2.6626      2.00000
      4       2.8689      2.00000
      5       4.7068      2.00000
      6       5.1173      1.99998
      7       6.1520      1.49908
      8       8.8399      0.00000
      9      12.7423      0.00000
     10      12.9431      0.00000
     11      14.4548      0.00000
     12      14.5629      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.5237      2.00000
      2       1.5546      2.00000
      3       2.0333      2.00000
      4       3.1242      2.00000
      5       4.1189      2.00000
      6       4.8859      2.00000
      7       5.6859      1.99370
      8       8.4004      0.00000
      9      13.1762      0.00000
     10      14.2776      0.00000
     11      14.9609      0.00000
     12      15.1552      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0766      2.00000
      2       1.1746      2.00000
      3       2.1082      2.00000
      4       3.3268      2.00000
      5       3.5457      2.00000
      6       4.7429      2.00000
      7       5.5802      1.99780
      8       8.2152      0.00000
      9      13.5759      0.00000
     10      14.8829      0.00000
     11      15.2710      0.00000
     12      15.6003      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2883      2.00000
      2       0.0321      2.00000
      3       2.1852      2.00000
      4       3.7184      2.00000
      5       6.6972      0.02534
      6       7.8000      0.00000
      7       8.4734      0.00000
      8       9.7282      0.00000
      9       9.9170      0.00000
     10      11.3732      0.00000
     11      11.8708      0.00000
     12      12.7927      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2563      2.00000
      2       0.0676      2.00000
      3       2.2797      2.00000
      4       3.7668      2.00000
      5       6.2653      0.98125
      6       7.4127      0.00002
      7       8.9204      0.00000
      8       8.9666      0.00000
      9       9.9995      0.00000
     10      10.9579      0.00000
     11      12.7562      0.00000
     12      12.9801      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1197      2.00000
      2       0.1949      2.00000
      3       2.4727      2.00000
      4       3.8384      2.00000
      5       5.2418      1.99993
      6       6.5042      0.16231
      7       7.9004      0.00000
      8       9.7142      0.00000
      9      10.2862      0.00000
     10      11.5002      0.00000
     11      12.8583      0.00000
     12      14.2727      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8795      2.00000
      2       0.4097      2.00000
      3       2.7587      2.00000
      4       3.8255      2.00000
      5       4.2951      2.00000
      6       5.6192      1.99676
      7       6.9268      0.00258
      8       9.0939      0.00000
      9      11.7035      0.00000
     10      12.5998      0.00000
     11      13.0930      0.00000
     12      14.7750      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.5382      2.00000
      2       0.7019      2.00000
      3       3.0572      2.00000
      4       3.2090      2.00000
      5       3.9612      2.00000
      6       4.9750      1.99999
      7       6.0440      1.79613
      8       8.5246      0.00000
      9      13.1621      0.00000
     10      13.2452      0.00000
     11      13.8772      0.00000
     12      15.3167      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.1030      2.00000
      2       1.0442      2.00000
      3       2.2884      2.00000
      4       3.3505      2.00000
      5       3.7705      2.00000
      6       4.7671      2.00000
      7       5.2892      1.99988
      8       8.1228      0.00000
      9      13.5525      0.00000
     10      14.4426      0.00000
     11      14.9077      0.00000
     12      16.2657      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.3907      2.00000
      2       1.3312      2.00000
      3       1.5913      2.00000
      4       2.9869      2.00000
      5       4.0111      2.00000
      6       4.7162      2.00000
      7       4.8843      2.00000
      8       7.9551      0.00000
      9      13.9722      0.00000
     10      14.8817      0.00000
     11      15.6682      0.00000
     12      16.2578      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2505      2.00000
      2       0.7111      2.00000
      3       1.2923      2.00000
      4       3.5176      2.00000
      5       6.6777      0.03069
      6       8.4141      0.00000
      7       8.7993      0.00000
      8       8.8998      0.00000
      9      10.2740      0.00000
     10      10.8859      0.00000
     11      11.4207      0.00000
     12      13.5952      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2206      2.00000
      2       0.7703      2.00000
      3       1.3533      2.00000
      4       3.5632      2.00000
      5       6.2860      0.87862
      6       7.8105      0.00000
      7       8.4351      0.00000
      8       9.0007      0.00000
      9      10.3712      0.00000
     10      11.0947      0.00000
     11      12.0465      0.00000
     12      13.8805      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0885      2.00000
      2       0.9317      2.00000
      3       1.5027      2.00000
      4       3.6406      2.00000
      5       5.2961      1.99987
      6       6.7890      0.01019
      7       7.4901      0.00001
      8       9.5740      0.00000
      9      10.3810      0.00000
     10      12.2382      0.00000
     11      13.2172      0.00000
     12      13.9964      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.8555      2.00000
      2       1.1936      2.00000
      3       1.7339      2.00000
      4       3.6572      2.00000
      5       4.3922      2.00000
      6       5.7941      1.98153
      7       6.5406      0.11572
      8       8.9745      0.00000
      9      11.7164      0.00000
     10      13.4980      0.00000
     11      14.1856      0.00000
     12      14.4854      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.5254      2.00000
      2       1.5508      2.00000
      3       2.0294      2.00000
      4       3.1301      2.00000
      5       4.1167      2.00000
      6       4.8907      2.00000
      7       5.6893      1.99348
      8       8.4030      0.00000
      9      13.2145      0.00000
     10      14.2511      0.00000
     11      14.9685      0.00000
     12      15.1553      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.1082      2.00000
      2       1.9619      2.00000
      3       2.2663      2.00000
      4       2.4622      2.00000
      5       3.9391      2.00000
      6       4.3191      2.00000
      7       5.0138      1.99999
      8       7.9913      0.00000
      9      14.6498      0.00000
     10      14.6843      0.00000
     11      15.5302      0.00000
     12      15.9763      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.3521      2.00000
      2       1.5856      2.00000
      3       2.5027      2.00000
      4       2.6408      2.00000
      5       3.3391      2.00000
      6       4.1868      2.00000
      7       4.7376      2.00000
      8       7.8026      0.00000
      9      15.0553      0.00000
     10      15.4898      0.00000
     11      16.2173      0.00000
     12      16.6256      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8366      2.00000
      2       0.3232      2.00000
      3       1.3380      2.00000
      4       3.0678      2.00000
      5       7.0959      0.00048
      6       8.1835      0.00000
      7       8.8484      0.00000
      8       9.1717      0.00000
      9       9.8726      0.00000
     10      10.6942      0.00000
     11      11.0871      0.00000
     12      13.5148      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8086      2.00000
      2       0.3615      2.00000
      3       1.4275      2.00000
      4       3.1130      2.00000
      5       6.7058      0.02327
      6       7.7221      0.00000
      7       8.1932      0.00000
      8       9.3218      0.00000
      9       9.7963      0.00000
     10      10.8529      0.00000
     11      12.1354      0.00000
     12      14.1157      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6765      2.00000
      2       0.4972      2.00000
      3       1.6174      2.00000
      4       3.1987      2.00000
      5       5.6806      1.99402
      6       6.7039      0.02370
      7       7.1667      0.00023
      8       9.2595      0.00000
      9      10.6346      0.00000
     10      11.8482      0.00000
     11      13.4805      0.00000
     12      14.4187      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4410      2.00000
      2       0.7267      2.00000
      3       1.9049      2.00000
      4       3.3095      2.00000
      5       4.6515      2.00000
      6       5.6917      1.99332
      7       6.1847      1.36638
      8       8.6562      0.00000
      9      12.0661      0.00000
     10      13.1449      0.00000
     11      14.5713      0.00000
     12      14.9311      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.1046      2.00000
      2       1.0419      2.00000
      3       2.2815      2.00000
      4       3.3515      2.00000
      5       3.7757      2.00000
      6       4.7714      2.00000
      7       5.2920      1.99988
      8       8.1253      0.00000
      9      13.5928      0.00000
     10      14.4581      0.00000
     11      14.8723      0.00000
     12      16.2850      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.3263      2.00000
      2       1.4217      2.00000
      3       2.6509      2.00000
      4       2.8125      2.00000
      5       3.5729      2.00000
      6       4.0408      2.00000
      7       4.5227      2.00000
      8       7.7473      0.00000
      9      15.1060      0.00000
     10      15.1474      0.00000
     11      15.7311      0.00000
     12      16.8160      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.8207      2.00000
      2       1.7749      2.00000
      3       2.0272      2.00000
      4       3.0622      2.00000
      5       3.2140      2.00000
      6       3.8855      2.00000
      7       4.0379      2.00000
      8       7.5747      0.00000
      9      15.5115      0.00000
     10      16.2859      0.00000
     11      16.5976      0.00000
     12      17.0847      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3517      2.00000
      2       0.5002      2.00000
      3       0.7018      2.00000
      4       2.6623      2.00000
      5       7.5214      0.00001
      6       8.4140      0.00000
      7       8.5574      0.00000
      8       9.4589      0.00000
      9       9.7388      0.00000
     10      10.2346      0.00000
     11      10.5669      0.00000
     12      13.3943      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3207      2.00000
      2       0.5544      2.00000
      3       0.7716      2.00000
      4       2.6930      2.00000
      5       7.0220      0.00100
      6       7.7358      0.00000
      7       7.9344      0.00000
      8       9.5376      0.00000
      9       9.8847      0.00000
     10      10.8745      0.00000
     11      11.4175      0.00000
     12      13.8657      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1865      2.00000
      2       0.7113      2.00000
      3       0.9449      2.00000
      4       2.7639      2.00000
      5       5.9859      1.88053
      6       6.6926      0.02649
      7       6.8739      0.00437
      8       9.0806      0.00000
      9      11.0709      0.00000
     10      12.0793      0.00000
     11      12.7555      0.00000
     12      14.8516      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.0501      2.00000
      2       0.9697      2.00000
      3       1.2189      2.00000
      4       2.8672      2.00000
      5       4.9623      2.00000
      6       5.6663      1.99482
      7       5.8403      1.97082
      8       8.4844      0.00000
      9      12.4959      0.00000
     10      13.4672      0.00000
     11      14.2119      0.00000
     12      16.0499      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.3870      2.00000
      2       1.3264      2.00000
      3       1.5867      2.00000
      4       2.9877      2.00000
      5       4.0163      2.00000
      6       4.7227      2.00000
      7       4.8885      2.00000
      8       7.9590      0.00000
      9      14.0107      0.00000
     10      14.9138      0.00000
     11      15.7015      0.00000
     12      16.2214      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.8186      2.00000
      2       1.7719      2.00000
      3       2.0246      2.00000
      4       3.0643      2.00000
      5       3.2157      2.00000
      6       3.8892      2.00000
      7       4.0392      2.00000
      8       7.5761      0.00000
      9      15.5520      0.00000
     10      16.3101      0.00000
     11      16.5666      0.00000
     12      17.1078      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.3181      2.00000
      2       2.2189      2.00000
      3       2.3083      2.00000
      4       2.6131      2.00000
      5       3.1089      2.00000
      6       3.3385      2.00000
      7       3.3783      2.00000
      8       7.3816      0.00003
      9      16.9210      0.00000
     10      16.9609      0.00000
     11      17.4312      0.00000
     12      17.8387      0.00000

 k-point   197 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6299      2.00000
      3       4.3771      2.00000
      4       4.3991      2.00000
      5       5.6165      1.99684
      6       6.1578      1.47695
      7       7.8051      0.00000
      8      11.2025      0.00000
      9      11.5703      0.00000
     10      12.3799      0.00000
     11      12.8676      0.00000
     12      12.9865      0.00000

 k-point   198 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5311      2.00000
      2       3.6758      2.00000
      3       3.8184      2.00000
      4       4.4215      2.00000
      5       5.9021      1.94654
      6       6.4803      0.20185
      7       7.9263      0.00000
      8      10.2624      0.00000
      9      11.5728      0.00000
     10      11.8743      0.00000
     11      12.5595      0.00000
     12      12.8958      0.00000

 k-point   199 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3880      2.00000
      2       2.7181      2.00000
      3       3.9443      2.00000
      4       4.5639      2.00000
      5       6.0941      1.68435
      6       7.0787      0.00056
      7       8.5482      0.00000
      8       9.3324      0.00000
      9      10.5716      0.00000
     10      11.9363      0.00000
     11      12.0164      0.00000
     12      12.9642      0.00000

 k-point   200 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.1497      2.00000
      2       1.7214      2.00000
      3       4.2265      2.00000
      4       4.8031      2.00000
      5       6.3252      0.69209
      6       7.3253      0.00005
      7       8.3541      0.00000
      8       9.5298      0.00000
      9       9.8804      0.00000
     10      11.2395      0.00000
     11      12.2214      0.00000
     12      12.8800      0.00000

 k-point   201 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.8240      2.00000
      2       0.8100      2.00000
      3       4.5939      2.00000
      4       5.1359      1.99997
      5       6.6199      0.05406
      6       7.2513      0.00010
      7       7.8042      0.00000
      8       8.5871      0.00000
      9      10.3814      0.00000
     10      11.3781      0.00000
     11      12.3818      0.00000
     12      12.5856      0.00000

 k-point   202 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.4340      2.00000
      2       0.0220      2.00000
      3       5.0170      1.99999
      4       5.5505      1.99837
      5       6.5579      0.09827
      6       7.1557      0.00026
      7       7.7614      0.00000
      8       7.7915      0.00000
      9       9.6300      0.00000
     10      11.7988      0.00000
     11      12.9721      0.00000
     12      13.1367      0.00000

 k-point   203 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.0723      2.00000
      2      -0.5448      2.00000
      3       5.3170      1.99984
      4       5.9826      1.88419
      5       6.2043      1.27870
      6       7.1184      0.00038
      7       7.5497      0.00001
      8       7.9041      0.00000
      9       8.9574      0.00000
     10      11.5354      0.00000
     11      13.1566      0.00000
     12      14.2081      0.00000

 k-point   204 :      -0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.0488      2.00000
      2      -0.5786      2.00000
      3       5.0705      1.99999
      4       6.0160      1.84192
      5       6.4896      0.18548
      6       7.0751      0.00059
      7       7.6667      0.00000
      8       8.2687      0.00000
      9       8.4998      0.00000
     10      11.4444      0.00000
     11      12.9050      0.00000
     12      13.9676      0.00000

 k-point   205 :      -0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.3957      2.00000
      2      -0.0474      2.00000
      3       4.6491      2.00000
      4       5.5943      1.99747
      5       6.8618      0.00493
      6       7.6875      0.00000
      7       7.7396      0.00000
      8       8.0331      0.00000
      9       9.0545      0.00000
     10      11.5405      0.00000
     11      12.5180      0.00000
     12      13.0202      0.00000

 k-point   206 :      -0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.7893      2.00000
      2       0.7229      2.00000
      3       4.2778      2.00000
      4       5.1732      1.99996
      5       6.7285      0.01858
      6       7.7832      0.00000
      7       8.3592      0.00000
      8       8.4992      0.00000
      9       9.8238      0.00000
     10      11.3743      0.00000
     11      11.9604      0.00000
     12      12.1703      0.00000

 k-point   207 :      -0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.1227      2.00000
      2       1.6185      2.00000
      3       3.9933      2.00000
      4       4.8317      2.00000
      5       6.4417      0.28350
      6       7.5394      0.00001
      7       9.2568      0.00000
      8       9.4286      0.00000
      9       9.9694      0.00000
     10      10.6548      0.00000
     11      11.9044      0.00000
     12      12.2645      0.00000

 k-point   208 :      -0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3697      2.00000
      2       2.5922      2.00000
      3       3.8129      2.00000
      4       4.5831      2.00000
      5       6.1869      1.35672
      6       7.1992      0.00017
      7       8.7048      0.00000
      8      10.2947      0.00000
      9      10.4509      0.00000
     10      11.4606      0.00000
     11      11.7423      0.00000
     12      12.6493      0.00000

 k-point   209 :      -0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2       3.4637      2.00000
      3       3.8648      2.00000
      4       4.4311      2.00000
      5       5.9637      1.90318
      6       6.5541      0.10188
      7       7.9949      0.00000
      8      11.3523      0.00000
      9      11.3918      0.00000
     10      11.8549      0.00000
     11      11.8973      0.00000
     12      12.7770      0.00000

 k-point   210 :      -0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -1.9962      2.00000
      2      -0.5358      2.00000
      3       5.1054      1.99998
      4       5.3116      1.99985
      5       6.2760      0.92781
      6       6.8479      0.00567
      7       8.2901      0.00000
      8       8.6404      0.00000
      9       8.8101      0.00000
     10      11.5504      0.00000
     11      12.2236      0.00000
     12      14.0555      0.00000

 k-point   211 :      -0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3447      2.00000
      2      -0.0033      2.00000
      3       4.6474      2.00000
      4       4.9735      1.99999
      5       6.9147      0.00291
      6       7.3247      0.00005
      7       8.1284      0.00000
      8       8.3093      0.00000
      9       9.4901      0.00000
     10      11.5493      0.00000
     11      11.9474      0.00000
     12      13.3313      0.00000

 k-point   212 :      -0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7392      2.00000
      2       0.7669      2.00000
      3       4.2445      2.00000
      4       4.6155      2.00000
      5       7.3002      0.00006
      6       7.6308      0.00000
      7       8.1605      0.00000
      8       8.5587      0.00000
      9      10.2574      0.00000
     10      11.2224      0.00000
     11      11.6182      0.00000
     12      12.3680      0.00000

 k-point   213 :      -0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0730      2.00000
      2       1.6609      2.00000
      3       3.9300      2.00000
      4       4.3217      2.00000
      5       7.0267      0.00095
      6       7.6519      0.00000
      7       8.8421      0.00000
      8       9.3448      0.00000
      9       9.9972      0.00000
     10      11.0496      0.00000
     11      11.2926      0.00000
     12      12.6217      0.00000

 k-point   214 :      -0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3202      2.00000
      2       2.6301      2.00000
      3       3.7113      2.00000
      4       4.1220      2.00000
      5       6.7614      0.01342
      6       7.3452      0.00004
      7       8.7357      0.00000
      8       9.8137      0.00000
      9      10.3309      0.00000
     10      11.1254      0.00000
     11      11.8263      0.00000
     12      13.0219      0.00000

 k-point   215 :      -0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4725      2.00000
      2       3.5137      2.00000
      3       3.6169      2.00000
      4       4.0979      2.00000
      5       6.5818      0.07817
      6       6.6080      0.06067
      7       8.1100      0.00000
      8      10.6628      0.00000
      9      11.0374      0.00000
     10      11.5347      0.00000
     11      12.1086      0.00000
     12      13.0626      0.00000

 k-point   216 :      -0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8388      2.00000
      2      -0.4089      2.00000
      3       4.2407      2.00000
      4       5.1542      1.99997
      5       5.5424      1.99850
      6       6.9461      0.00213
      7       8.6252      0.00000
      8       9.4211      0.00000
      9       9.8751      0.00000
     10      11.0966      0.00000
     11      12.0751      0.00000
     12      13.1321      0.00000

 k-point   217 :      -0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.1923      2.00000
      2       0.1273      2.00000
      3       3.8603      2.00000
      4       4.8514      2.00000
      5       6.0281      1.82342
      6       7.5726      0.00000
      7       8.4486      0.00000
      8       9.2297      0.00000
      9      10.2064      0.00000
     10      10.7389      0.00000
     11      12.3570      0.00000
     12      13.3284      0.00000

 k-point   218 :      -0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.5895      2.00000
      2       0.8956      2.00000
      3       3.4622      2.00000
      4       4.5248      2.00000
      5       6.7151      0.02122
      6       8.1077      0.00000
      7       8.3088      0.00000
      8       9.1361      0.00000
      9      10.3025      0.00000
     10      10.8310      0.00000
     11      11.8532      0.00000
     12      12.8376      0.00000

 k-point   219 :      -0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9246      2.00000
      2       1.7763      2.00000
      3       3.1441      2.00000
      4       4.2638      2.00000
      5       7.2320      0.00012
      6       8.0777      0.00000
      7       8.6041      0.00000
      8       9.5017      0.00000
      9       9.8038      0.00000
     10      10.6225      0.00000
     11      11.5554      0.00000
     12      13.2144      0.00000

 k-point   220 :      -0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1726      2.00000
      2       2.6143      2.00000
      3       3.0283      2.00000
      4       4.1005      2.00000
      5       7.1562      0.00026
      6       8.1292      0.00000
      7       8.6944      0.00000
      8       9.1122      0.00000
      9      10.0230      0.00000
     10      10.6879      0.00000
     11      12.0768      0.00000
     12      12.9927      0.00000

 k-point   221 :      -0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3253      2.00000
      2       2.6819      2.00000
      3       3.6642      2.00000
      4       4.1635      2.00000
      5       6.7493      0.01513
      6       7.3464      0.00004
      7       8.6658      0.00000
      8       9.6299      0.00000
      9      10.1321      0.00000
     10      11.6364      0.00000
     11      12.1429      0.00000
     12      12.6057      0.00000

 k-point   222 :      -0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5776      2.00000
      2      -0.2037      2.00000
      3       3.2066      2.00000
      4       4.5005      2.00000
      5       5.5642      1.99813
      6       7.1648      0.00024
      7       8.8868      0.00000
      8       9.8929      0.00000
      9      10.2063      0.00000
     10      11.2983      0.00000
     11      11.9525      0.00000
     12      13.1318      0.00000

 k-point   223 :      -0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9407      2.00000
      2       0.3370      2.00000
      3       2.8693      2.00000
      4       4.8574      2.00000
      5       5.3384      1.99980
      6       7.8227      0.00000
      7       8.7099      0.00000
      8       9.6933      0.00000
      9      10.1736      0.00000
     10      11.1997      0.00000
     11      12.5963      0.00000
     12      13.0877      0.00000

 k-point   224 :      -0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3428      2.00000
      2       1.0896      2.00000
      3       2.5132      2.00000
      4       4.7176      2.00000
      5       5.8492      1.96814
      6       8.3582      0.00000
      7       8.6039      0.00000
      8       9.4156      0.00000
      9      10.2754      0.00000
     10      11.2778      0.00000
     11      11.9879      0.00000
     12      13.0098      0.00000

 k-point   225 :      -0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6804      2.00000
      2       1.7985      2.00000
      3       2.3813      2.00000
      4       4.4721      2.00000
      5       6.6126      0.05806
      6       8.0681      0.00000
      7       8.9592      0.00000
      8       9.5815      0.00000
      9      10.0422      0.00000
     10      10.7439      0.00000
     11      11.7237      0.00000
     12      12.7633      0.00000

 k-point   226 :      -0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9298      2.00000
      2       1.8200      2.00000
      3       3.0920      2.00000
      4       4.3111      2.00000
      5       7.1903      0.00019
      6       8.0725      0.00000
      7       8.4533      0.00000
      8       9.2633      0.00000
      9      10.0586      0.00000
     10      10.9112      0.00000
     11      11.8969      0.00000
     12      12.6648      0.00000

 k-point   227 :      -0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0832      2.00000
      2       1.7047      2.00000
      3       3.9129      2.00000
      4       4.3797      2.00000
      5       6.9807      0.00151
      6       7.6303      0.00000
      7       8.6466      0.00000
      8       9.1303      0.00000
      9      10.0020      0.00000
     10      11.4722      0.00000
     11      11.8634      0.00000
     12      12.6527      0.00000

 k-point   228 :      -0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2158      2.00000
      2       0.0651      2.00000
      3       2.2522      2.00000
      4       3.7268      2.00000
      5       5.8778      1.95782
      6       7.4592      0.00001
      7       9.1335      0.00000
      8       9.3254      0.00000
      9      10.2851      0.00000
     10      11.1794      0.00000
     11      12.4442      0.00000
     12      12.8878      0.00000

 k-point   229 :      -0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.5954      2.00000
      2       0.6017      2.00000
      3       1.9711      2.00000
      4       4.1933      2.00000
      5       5.4953      1.99906
      6       8.1010      0.00000
      7       8.8845      0.00000
      8       9.0535      0.00000
      9      10.5709      0.00000
     10      11.7480      0.00000
     11      12.3151      0.00000
     12      12.6050      0.00000

 k-point   230 :      -0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0058      2.00000
      2       1.1779      2.00000
      3       1.8218      2.00000
      4       4.7752      2.00000
      5       5.2682      1.99990
      6       8.3559      0.00000
      7       8.7133      0.00000
      8       9.0959      0.00000
      9      11.0163      0.00000
     10      11.8738      0.00000
     11      12.0961      0.00000
     12      12.4686      0.00000

 k-point   231 :      -0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3478      2.00000
      2       1.1310      2.00000
      3       2.4642      2.00000
      4       4.7606      2.00000
      5       5.8325      1.97298
      6       8.0819      0.00000
      7       8.4068      0.00000
      8       9.9742      0.00000
      9      10.5244      0.00000
     10      11.5116      0.00000
     11      11.7012      0.00000
     12      12.6765      0.00000

 k-point   232 :      -0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5997      2.00000
      2       0.9373      2.00000
      3       3.4053      2.00000
      4       4.6138      2.00000
      5       6.6719      0.03250
      6       7.8464      0.00000
      7       8.0959      0.00000
      8       9.2848      0.00000
      9      10.9396      0.00000
     10      11.2191      0.00000
     11      11.7250      0.00000
     12      12.6763      0.00000

 k-point   233 :      -0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7545      2.00000
      2       0.8057      2.00000
      3       4.2566      2.00000
      4       4.6837      2.00000
      5       7.1909      0.00018
      6       7.5780      0.00000
      7       7.8675      0.00000
      8       8.5847      0.00000
      9      10.6262      0.00000
     10      11.3788      0.00000
     11      12.0846      0.00000
     12      12.4479      0.00000

 k-point   234 :      -0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7625      2.00000
      2       0.3600      2.00000
      3       1.4019      2.00000
      4       3.0807      2.00000
      5       6.2791      0.91267
      6       7.7806      0.00000
      7       8.4477      0.00000
      8       9.6962      0.00000
      9      10.2094      0.00000
     10      10.7539      0.00000
     11      11.6694      0.00000
     12      13.8352      0.00000

 k-point   235 :      -0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1731      2.00000
      2       0.7624      2.00000
      3       1.3284      2.00000
      4       3.5190      2.00000
      5       5.8648      1.96288
      6       7.9625      0.00000
      7       8.6308      0.00000
      8       9.4628      0.00000
      9      10.7321      0.00000
     10      11.0773      0.00000
     11      11.6250      0.00000
     12      13.8021      0.00000

 k-point   236 :      -0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.5988      2.00000
      2       0.6411      2.00000
      3       1.9233      2.00000
      4       4.1920      2.00000
      5       5.5104      1.99891
      6       7.6729      0.00000
      7       9.0608      0.00000
      8       9.4316      0.00000
      9      10.9452      0.00000
     10      11.7125      0.00000
     11      11.8798      0.00000
     12      12.6861      0.00000

 k-point   237 :      -0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9491      2.00000
      2       0.3764      2.00000
      3       2.8139      2.00000
      4       4.9052      2.00000
      5       5.3320      1.99982
      6       7.4025      0.00002
      7       8.6967      0.00000
      8      10.3440      0.00000
      9      10.5308      0.00000
     10      11.3353      0.00000
     11      12.3776      0.00000
     12      12.7107      0.00000

 k-point   238 :      -0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2060      2.00000
      2       0.1635      2.00000
      3       3.8002      2.00000
      4       4.9754      1.99999
      5       5.9708      1.89650
      6       7.2018      0.00017
      7       8.3750      0.00000
      8       9.4402      0.00000
      9      10.5455      0.00000
     10      11.3977      0.00000
     11      12.3915      0.00000
     12      12.9757      0.00000

 k-point   239 :      -0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3635      2.00000
      2       0.0294      2.00000
      3       4.6836      2.00000
      4       5.0476      1.99999
      5       6.7473      0.01542
      6       7.1492      0.00028
      7       7.9443      0.00000
      8       8.4382      0.00000
      9       9.8238      0.00000
     10      11.8069      0.00000
     11      12.4498      0.00000
     12      13.2830      0.00000

 k-point   240 :      -0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2730      2.00000
      2       0.5561      2.00000
      3       0.7447      2.00000
      4       2.6749      2.00000
      5       6.6837      0.02893
      6       7.7452      0.00000
      7       8.1777      0.00000
      8       9.8247      0.00000
      9      10.2020      0.00000
     10      10.7667      0.00000
     11      10.9909      0.00000
     12      13.6972      0.00000

 k-point   241 :      -0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7560      2.00000
      2       0.3894      2.00000
      3       1.3595      2.00000
      4       3.0699      2.00000
      5       6.2322      1.14599
      6       7.4513      0.00001
      7       8.8949      0.00000
      8       9.8904      0.00000
      9      10.4449      0.00000
     10      10.7764      0.00000
     11      11.2503      0.00000
     12      13.7059      0.00000

 k-point   242 :      -0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2130      2.00000
      2       0.0934      2.00000
      3       2.2032      2.00000
      4       3.7125      2.00000
      5       5.8506      1.96770
      6       7.1391      0.00031
      7       9.3815      0.00000
      8       9.7941      0.00000
      9      10.5530      0.00000
     10      11.2493      0.00000
     11      11.9415      0.00000
     12      12.9649      0.00000

 k-point   243 :      -0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5800      2.00000
      2      -0.1790      2.00000
      3       3.1536      2.00000
      4       4.4915      2.00000
      5       5.5638      1.99814
      6       6.8794      0.00414
      7       9.0069      0.00000
      8      10.1871      0.00000
      9      10.7335      0.00000
     10      11.4165      0.00000
     11      12.1533      0.00000
     12      12.6899      0.00000

 k-point   244 :      -0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8466      2.00000
      2      -0.3879      2.00000
      3       4.1829      2.00000
      4       5.2667      1.99990
      5       5.4559      1.99937
      6       6.7031      0.02388
      7       8.6938      0.00000
      8       9.5679      0.00000
      9      10.0343      0.00000
     10      11.7647      0.00000
     11      12.1306      0.00000
     12      13.2994      0.00000

 k-point   245 :      -0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0095      2.00000
      2      -0.5184      2.00000
      3       5.1285      1.99998
      4       5.3784      1.99971
      5       6.1446      1.52614
      6       6.7047      0.02352
      7       8.4359      0.00000
      8       8.4657      0.00000
      9       9.1053      0.00000
     10      11.6207      0.00000
     11      12.8434      0.00000
     12      13.7639      0.00000

 k-point   246 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.4290      2.00000
      2       2.6063      2.00000
      3       4.5238      2.00000
      4       4.5356      2.00000
      5       5.7792      1.98405
      6       6.7684      0.01251
      7       8.5647      0.00000
      8      10.1940      0.00000
      9      10.4535      0.00000
     10      11.6012      0.00000
     11      12.8806      0.00000
     12      12.9609      0.00000

 k-point   247 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3886      2.00000
      2       2.7009      2.00000
      3       3.9642      2.00000
      4       4.5634      2.00000
      5       6.1026      1.66116
      6       7.0881      0.00051
      7       8.5267      0.00000
      8       9.3334      0.00000
      9      10.5544      0.00000
     10      11.9562      0.00000
     11      12.0056      0.00000
     12      12.9830      0.00000

 k-point   248 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2496      2.00000
      2       2.7398      2.00000
      3       3.0982      2.00000
      4       4.7009      2.00000
      5       6.3743      0.48940
      6       7.9617      0.00000
      7       8.1673      0.00000
      8       9.0273      0.00000
      9      10.6436      0.00000
     10      10.9117      0.00000
     11      11.9829      0.00000
     12      12.6928      0.00000

 k-point   249 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.0150      2.00000
      2       1.8890      2.00000
      3       3.2294      2.00000
      4       4.9354      2.00000
      5       6.5129      0.14989
      6       7.4218      0.00002
      7       8.4700      0.00000
      8       9.7188      0.00000
      9       9.9618      0.00000
     10      11.0701      0.00000
     11      11.4782      0.00000
     12      12.7307      0.00000

 k-point   250 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.6919      2.00000
      2       0.9819      2.00000
      3       3.5805      2.00000
      4       5.2636      1.99991
      5       6.2311      1.15130
      6       7.1911      0.00018
      7       8.6753      0.00000
      8       8.7747      0.00000
      9      10.7611      0.00000
     10      11.4307      0.00000
     11      11.4898      0.00000
     12      12.8434      0.00000

 k-point   251 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.3015      2.00000
      2       0.1869      2.00000
      3       3.9834      2.00000
      4       5.6397      1.99602
      5       5.6745      1.99437
      6       7.4404      0.00002
      7       7.9437      0.00000
      8       8.8172      0.00000
      9      10.2253      0.00000
     10      11.8264      0.00000
     11      12.5726      0.00000
     12      12.9772      0.00000

 k-point   252 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.9288      2.00000
      2      -0.4001      2.00000
      3       4.2453      2.00000
      4       5.2962      1.99987
      5       6.1098      1.64047
      6       7.2881      0.00007
      7       7.7393      0.00000
      8       8.8823      0.00000
      9       9.8603      0.00000
     10      12.0409      0.00000
     11      12.1788      0.00000
     12      13.3095      0.00000

 k-point   253 :      -0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.8811      2.00000
      2      -0.4688      2.00000
      3       4.0195      2.00000
      4       5.5921      1.99753
      5       6.1759      1.40383
      6       7.2020      0.00016
      7       7.8508      0.00000
      8       8.9582      0.00000
      9       9.7629      0.00000
     10      11.7983      0.00000
     11      11.9538      0.00000
     12      13.2697      0.00000

 k-point   254 :      -0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.2247      2.00000
      2       0.0462      2.00000
      3       3.6231      2.00000
      4       5.7617      1.98659
      5       6.1731      1.41568
      6       7.7391      0.00000
      7       7.7963      0.00000
      8       9.0522      0.00000
      9       9.9613      0.00000
     10      11.4039      0.00000
     11      11.9651      0.00000
     12      12.7145      0.00000

 k-point   255 :      -0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.6227      2.00000
      2       0.8029      2.00000
      3       3.2718      2.00000
      4       5.3380      1.99981
      5       6.6117      0.05856
      6       7.8152      0.00000
      7       8.5985      0.00000
      8       8.9451      0.00000
      9      10.4818      0.00000
     10      11.0503      0.00000
     11      11.5324      0.00000
     12      12.1733      0.00000

 k-point   256 :      -0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.9612      2.00000
      2       1.6668      2.00000
      3       3.0222      2.00000
      4       4.9923      1.99999
      5       6.6122      0.05825
      6       8.4215      0.00000
      7       8.7141      0.00000
      8       9.5118      0.00000
      9      10.1361      0.00000
     10      10.7881      0.00000
     11      11.1517      0.00000
     12      12.4174      0.00000

 k-point   257 :      -0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2132      2.00000
      2       2.4351      2.00000
      3       3.0482      2.00000
      4       4.7392      2.00000
      5       6.4414      0.28405
      6       8.1522      0.00000
      7       8.9977      0.00000
      8       9.4495      0.00000
      9      10.3621      0.00000
     10      10.7876      0.00000
     11      11.6573      0.00000
     12      12.5545      0.00000

 k-point   258 :      -0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3703      2.00000
      2       2.5761      2.00000
      3       3.8317      2.00000
      4       4.5826      2.00000
      5       6.1933      1.32877
      6       7.2101      0.00015
      7       8.6825      0.00000
      8      10.2969      0.00000
      9      10.4343      0.00000
     10      11.4598      0.00000
     11      11.7619      0.00000
     12      12.6549      0.00000

 k-point   259 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3796      2.00000
      2       2.6388      2.00000
      3       3.8791      2.00000
      4       4.5877      2.00000
      5       6.1692      1.43141
      6       7.1327      0.00033
      7       8.6142      0.00000
      8       9.7902      0.00000
      9      10.3094      0.00000
     10      11.8237      0.00000
     11      12.0126      0.00000
     12      12.9085      0.00000

 k-point   260 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3391      2.00000
      2       2.7343      2.00000
      3       3.8187      2.00000
      4       4.1399      2.00000
      5       6.6535      0.03892
      6       7.2672      0.00009
      7       8.5847      0.00000
      8       9.2982      0.00000
      9      10.0272      0.00000
     10      11.2679      0.00000
     11      12.5510      0.00000
     12      13.2725      0.00000

 k-point   261 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.2001      2.00000
      2       2.7916      2.00000
      3       3.0972      2.00000
      4       4.1221      2.00000
      5       7.0533      0.00073
      6       8.0082      0.00000
      7       8.2136      0.00000
      8       9.0062      0.00000
      9       9.9507      0.00000
     10      10.5099      0.00000
     11      12.6492      0.00000
     12      13.1693      0.00000

 k-point   262 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9653      2.00000
      2       1.9327      2.00000
      3       3.2525      2.00000
      4       4.3317      2.00000
      5       7.0474      0.00077
      6       7.6130      0.00000
      7       8.4512      0.00000
      8       9.2119      0.00000
      9       9.9415      0.00000
     10      10.6101      0.00000
     11      12.1143      0.00000
     12      13.2448      0.00000

 k-point   263 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.6418      2.00000
      2       1.0265      2.00000
      3       3.6116      2.00000
      4       4.6288      2.00000
      5       6.4008      0.39802
      6       7.7535      0.00000
      7       8.0926      0.00000
      8       8.9721      0.00000
      9      10.7156      0.00000
     10      11.2756      0.00000
     11      11.6726      0.00000
     12      13.2474      0.00000

 k-point   264 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.2507      2.00000
      2       0.2316      2.00000
      3       4.0241      2.00000
      4       4.9792      1.99999
      5       5.7460      1.98854
      6       7.3818      0.00003
      7       8.1314      0.00000
      8       9.0954      0.00000
      9      10.6293      0.00000
     10      11.1448      0.00000
     11      12.5769      0.00000
     12      13.0074      0.00000

 k-point   265 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8765      2.00000
      2      -0.3564      2.00000
      3       4.2950      2.00000
      4       5.2330      1.99993
      5       5.4742      1.99924
      6       6.8467      0.00573
      7       8.5026      0.00000
      8       9.2442      0.00000
      9      10.0882      0.00000
     10      11.3531      0.00000
     11      12.0840      0.00000
     12      13.0052      0.00000

 k-point   266 :      -0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8285      2.00000
      2      -0.4254      2.00000
      3       4.0641      2.00000
      4       5.3574      1.99976
      5       5.7127      1.99176
      6       6.7783      0.01134
      7       8.6153      0.00000
      8       9.4658      0.00000
      9       9.8158      0.00000
     10      11.1059      0.00000
     11      12.0309      0.00000
     12      13.1949      0.00000

 k-point   267 :      -0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.1737      2.00000
      2       0.0911      2.00000
      3       3.6607      2.00000
      4       5.0687      1.99999
      5       6.3435      0.61173
      6       7.2339      0.00012
      7       8.3905      0.00000
      8       9.4315      0.00000
      9      10.2079      0.00000
     10      10.7138      0.00000
     11      12.1767      0.00000
     12      13.1857      0.00000

 k-point   268 :      -0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.5725      2.00000
      2       0.8483      2.00000
      3       3.3025      2.00000
      4       4.7029      2.00000
      5       7.0206      0.00101
      6       7.8564      0.00000
      7       8.2367      0.00000
      8       9.2514      0.00000
      9      10.3443      0.00000
     10      10.9121      0.00000
     11      11.7888      0.00000
     12      12.4895      0.00000

 k-point   269 :      -0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9114      2.00000
      2       1.7125      2.00000
      3       3.0437      2.00000
      4       4.3910      2.00000
      5       7.2657      0.00009
      6       8.4794      0.00000
      7       8.5195      0.00000
      8       9.2243      0.00000
      9       9.8521      0.00000
     10      10.6519      0.00000
     11      11.6697      0.00000
     12      12.7889      0.00000

 k-point   270 :      -0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1636      2.00000
      2       2.4862      2.00000
      3       3.0461      2.00000
      4       4.1678      2.00000
      5       7.1226      0.00036
      6       8.1832      0.00000
      7       8.9979      0.00000
      8       9.3880      0.00000
      9       9.7088      0.00000
     10      10.4947      0.00000
     11      12.1629      0.00000
     12      12.9916      0.00000

 k-point   271 :      -0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3208      2.00000
      2       2.6139      2.00000
      3       3.7235      2.00000
      4       4.1286      2.00000
      5       6.7767      0.01152
      6       7.3457      0.00004
      7       8.7141      0.00000
      8       9.8005      0.00000
      9      10.3346      0.00000
     10      11.1413      0.00000
     11      11.8297      0.00000
     12      13.0118      0.00000

 k-point   272 :      -0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6710      2.00000
      2      -0.2966      2.00000
      3       4.1826      2.00000
      4       4.3959      2.00000
      5       5.3107      1.99985
      6       6.3651      0.52427
      7       9.8060      0.00000
      8      10.0503      0.00000
      9      10.1359      0.00000
     10      10.3480      0.00000
     11      11.7697      0.00000
     12      12.9396      0.00000

 k-point   273 :      -0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0211      2.00000
      2       0.2239      2.00000
      3       3.7100      2.00000
      4       4.1302      2.00000
      5       6.0084      1.85267
      6       6.8375      0.00629
      7       9.5507      0.00000
      8       9.7303      0.00000
      9       9.7992      0.00000
     10      10.9001      0.00000
     11      12.3480      0.00000
     12      13.0317      0.00000

 k-point   274 :      -0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4225      2.00000
      2       0.9813      2.00000
      3       3.2941      2.00000
      4       3.8343      2.00000
      5       6.8181      0.00763
      6       7.5042      0.00001
      7       9.1121      0.00000
      8       9.3346      0.00000
      9       9.6667      0.00000
     10      11.5954      0.00000
     11      12.0299      0.00000
     12      12.9671      0.00000

 k-point   275 :      -0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7627      2.00000
      2       1.8423      2.00000
      3       2.9703      2.00000
      4       3.6028      2.00000
      5       7.6673      0.00000
      6       8.1682      0.00000
      7       8.8326      0.00000
      8       9.0215      0.00000
      9       9.4150      0.00000
     10      10.7559      0.00000
     11      12.2749      0.00000
     12      13.4512      0.00000

 k-point   276 :      -0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0156      2.00000
      2       2.6392      2.00000
      3       2.7784      2.00000
      4       3.5587      2.00000
      5       8.1637      0.00000
      6       8.2181      0.00000
      7       8.7928      0.00000
      8       8.8451      0.00000
      9       9.3398      0.00000
     10      10.3272      0.00000
     11      12.5351      0.00000
     12      13.5167      0.00000

 k-point   277 :      -0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1731      2.00000
      2       2.6028      2.00000
      3       3.0255      2.00000
      4       4.1172      2.00000
      5       7.1801      0.00021
      6       8.1116      0.00000
      7       8.6760      0.00000
      8       9.1110      0.00000
      9      10.0330      0.00000
     10      10.6919      0.00000
     11      12.0876      0.00000
     12      13.0132      0.00000

 k-point   278 :      -0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4097      2.00000
      2      -0.0881      2.00000
      3       3.3597      2.00000
      4       4.2829      2.00000
      5       4.7494      2.00000
      6       6.3832      0.45729
      7       9.1134      0.00000
      8      10.1941      0.00000
      9      10.8603      0.00000
     10      11.2009      0.00000
     11      11.5179      0.00000
     12      13.4998      0.00000

 k-point   279 :      -0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.7691      2.00000
      2       0.4383      2.00000
      3       2.9977      2.00000
      4       4.0381      2.00000
      5       5.2208      1.99994
      6       6.9521      0.00200
      7       8.7938      0.00000
      8      10.0243      0.00000
      9      10.9072      0.00000
     10      11.4162      0.00000
     11      11.9372      0.00000
     12      13.6278      0.00000

 k-point   280 :      -0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.1753      2.00000
      2       1.1863      2.00000
      3       2.6107      2.00000
      4       3.7603      2.00000
      5       5.9441      1.91976
      6       7.6427      0.00000
      7       8.5335      0.00000
      8       9.6411      0.00000
      9      10.6911      0.00000
     10      12.0223      0.00000
     11      12.1482      0.00000
     12      12.8557      0.00000

 k-point   281 :      -0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5178      2.00000
      2       1.9299      2.00000
      3       2.3925      2.00000
      4       3.5559      2.00000
      5       6.7681      0.01255
      6       7.9728      0.00000
      7       8.7886      0.00000
      8       9.2647      0.00000
      9      10.2186      0.00000
     10      11.0824      0.00000
     11      12.5900      0.00000
     12      13.4993      0.00000

 k-point   282 :      -0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7721      2.00000
      2       1.9479      2.00000
      3       2.8934      2.00000
      4       3.6070      2.00000
      5       7.4898      0.00001
      6       7.9525      0.00000
      7       8.7577      0.00000
      8       9.3695      0.00000
      9       9.5755      0.00000
     10      10.7507      0.00000
     11      12.6663      0.00000
     12      13.2210      0.00000

 k-point   283 :      -0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9304      2.00000
      2       1.8186      2.00000
      3       3.0779      2.00000
      4       4.3289      2.00000
      5       7.2008      0.00017
      6       8.0700      0.00000
      7       8.4456      0.00000
      8       9.2637      0.00000
      9      10.0576      0.00000
     10      10.9136      0.00000
     11      11.9154      0.00000
     12      12.6716      0.00000

 k-point   284 :      -0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0475      2.00000
      2       0.1862      2.00000
      3       2.4088      2.00000
      4       3.7474      2.00000
      5       4.8647      2.00000
      6       6.5753      0.08315
      7       8.2307      0.00000
      8      10.2442      0.00000
      9      10.5411      0.00000
     10      11.6123      0.00000
     11      13.0155      0.00000
     12      13.6941      0.00000

 k-point   285 :      -0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4229      2.00000
      2       0.7128      2.00000
      3       2.1116      2.00000
      4       4.0576      2.00000
      5       4.6822      2.00000
      6       7.1242      0.00036
      7       8.0160      0.00000
      8      10.3355      0.00000
      9      10.9024      0.00000
     10      11.7210      0.00000
     11      12.8092      0.00000
     12      13.5405      0.00000

 k-point   286 :      -0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8372      2.00000
      2       1.3170      2.00000
      3       1.9091      2.00000
      4       3.9928      2.00000
      5       5.1326      1.99997
      6       7.3639      0.00003
      7       8.2748      0.00000
      8       9.9793      0.00000
      9      11.6347      0.00000
     10      11.9351      0.00000
     11      12.4158      0.00000
     12      12.8418      0.00000

 k-point   287 :      -0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.1839      2.00000
      2       1.2787      2.00000
      3       2.5025      2.00000
      4       3.8013      2.00000
      5       5.8997      1.94779
      6       7.2256      0.00013
      7       9.0843      0.00000
      8       9.5998      0.00000
      9      10.8545      0.00000
     10      12.0376      0.00000
     11      12.6026      0.00000
     12      12.7237      0.00000

 k-point   288 :      -0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4406      2.00000
      2       1.0747      2.00000
      3       3.2454      2.00000
      4       3.8483      2.00000
      5       6.6005      0.06528
      6       7.2384      0.00011
      7       9.0618      0.00000
      8       9.7038      0.00000
      9      10.0448      0.00000
     10      11.9153      0.00000
     11      12.1371      0.00000
     12      13.2266      0.00000

 k-point   289 :      -0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6002      2.00000
      2       0.9365      2.00000
      3       3.3899      2.00000
      4       4.6321      2.00000
      5       6.6625      0.03564
      6       7.8676      0.00000
      7       8.1061      0.00000
      8       9.2643      0.00000
      9      10.9415      0.00000
     10      11.2340      0.00000
     11      11.7248      0.00000
     12      12.6686      0.00000

 k-point   290 :      -0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.5929      2.00000
      2       0.4897      2.00000
      3       1.5578      2.00000
      4       3.1289      2.00000
      5       5.2445      1.99992
      6       6.7870      0.01040
      7       7.4893      0.00001
      8       9.6420      0.00000
      9      10.9707      0.00000
     10      11.9137      0.00000
     11      12.9193      0.00000
     12      14.5976      0.00000

 k-point   291 :      -0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.9986      2.00000
      2       0.9076      2.00000
      3       1.4462      2.00000
      4       3.5421      2.00000
      5       4.8687      2.00000
      6       6.9289      0.00253
      7       7.7689      0.00000
      8      10.1620      0.00000
      9      10.8525      0.00000
     10      12.0483      0.00000
     11      12.8646      0.00000
     12      14.1757      0.00000

 k-point   292 :      -0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4278      2.00000
      2       0.7963      2.00000
      3       2.0097      2.00000
      4       4.0739      2.00000
      5       4.6584      2.00000
      6       6.7314      0.01806
      7       8.5307      0.00000
      8      10.3318      0.00000
      9      11.0199      0.00000
     10      12.1795      0.00000
     11      12.8071      0.00000
     12      13.0473      0.00000

 k-point   293 :      -0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.7826      2.00000
      2       0.5224      2.00000
      3       2.8787      2.00000
      4       4.1101      2.00000
      5       5.1372      1.99997
      6       6.5563      0.09969
      7       9.4470      0.00000
      8       9.9784      0.00000
      9      11.1511      0.00000
     10      11.8105      0.00000
     11      12.1719      0.00000
     12      13.3334      0.00000

 k-point   294 :      -0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0441      2.00000
      2       0.3023      2.00000
      3       3.6865      2.00000
      4       4.1450      2.00000
      5       5.7804      1.98387
      6       6.6072      0.06114
      7       9.4904      0.00000
      8       9.9344      0.00000
      9      10.4433      0.00000
     10      11.3928      0.00000
     11      12.5722      0.00000
     12      13.0832      0.00000

 k-point   295 :      -0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2065      2.00000
      2       0.1628      2.00000
      3       3.7837      2.00000
      4       4.9937      1.99999
      5       5.9597      1.90687
      6       7.2181      0.00014
      7       8.4000      0.00000
      8       9.4188      0.00000
      9      10.5491      0.00000
     10      11.3994      0.00000
     11      12.3762      0.00000
     12      12.9833      0.00000

 k-point   296 :      -0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.0986      2.00000
      2       0.7066      2.00000
      3       0.8848      2.00000
      4       2.7242      2.00000
      5       5.6357      1.99618
      6       6.6959      0.02567
      7       7.1889      0.00019
      8       9.2668      0.00000
      9      11.4504      0.00000
     10      12.0785      0.00000
     11      12.2697      0.00000
     12      14.5921      0.00000

 k-point   297 :      -0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.5762      2.00000
      2       0.5477      2.00000
      3       1.4715      2.00000
      4       3.1048      2.00000
      5       5.1813      1.99996
      6       6.4855      0.19261
      7       7.9268      0.00000
      8       9.7682      0.00000
      9      11.2495      0.00000
     10      12.0853      0.00000
     11      12.4352      0.00000
     12      14.5463      0.00000

 k-point   298 :      -0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0366      2.00000
      2       0.2428      2.00000
      3       2.3072      2.00000
      4       3.7183      2.00000
      5       4.8035      2.00000
      6       6.2595      1.01056
      7       8.7932      0.00000
      8      10.4308      0.00000
      9      10.8198      0.00000
     10      11.8455      0.00000
     11      13.0582      0.00000
     12      13.2079      0.00000

 k-point   299 :      -0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4079      2.00000
      2      -0.0377      2.00000
      3       3.2474      2.00000
      4       4.3403      2.00000
      5       4.6100      2.00000
      6       6.1120      1.63396
      7       9.7461      0.00000
      8      10.3666      0.00000
      9      11.2046      0.00000
     10      11.3611      0.00000
     11      11.7516      0.00000
     12      13.5339      0.00000

 k-point   300 :      -0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6793      2.00000
      2      -0.2530      2.00000
      3       4.1626      2.00000
      4       4.3880      2.00000
      5       5.1116      1.99998
      6       6.1934      1.32805
      7       9.9961      0.00000
      8      10.0721      0.00000
      9      10.7136      0.00000
     10      10.8113      0.00000
     11      12.0300      0.00000
     12      12.9888      0.00000

 k-point   301 :      -0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8471      2.00000
      2      -0.3885      2.00000
      3       4.1648      2.00000
      4       5.2701      1.99990
      5       5.4621      1.99933
      6       6.7179      0.02065
      7       8.7251      0.00000
      8       9.5638      0.00000
      9      10.0119      0.00000
     10      11.7663      0.00000
     11      12.1181      0.00000
     12      13.3007      0.00000

 k-point   302 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1875      2.00000
      2       1.6147      2.00000
      3       4.7669      2.00000
      4       4.7674      2.00000
      5       6.0481      1.78851
      6       7.0557      0.00071
      7       9.2083      0.00000
      8       9.4178      0.00000
      9       9.8422      0.00000
     10      10.7007      0.00000
     11      12.3905      0.00000
     12      13.1373      0.00000

 k-point   303 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1512      2.00000
      2       1.7071      2.00000
      3       4.2458      2.00000
      4       4.8018      2.00000
      5       6.3338      0.65379
      6       7.3423      0.00004
      7       8.3576      0.00000
      8       9.5154      0.00000
      9       9.8450      0.00000
     10      11.2342      0.00000
     11      12.2406      0.00000
     12      12.8940      0.00000

 k-point   304 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.0159      2.00000
      2       1.8758      2.00000
      3       3.2450      2.00000
      4       4.9346      2.00000
      5       6.5139      0.14844
      6       7.4269      0.00002
      7       8.4917      0.00000
      8       9.7051      0.00000
      9       9.9298      0.00000
     10      11.0859      0.00000
     11      11.4721      0.00000
     12      12.7439      0.00000

 k-point   305 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7843      2.00000
      2       1.9583      2.00000
      3       2.4291      2.00000
      4       5.1643      1.99997
      5       6.1243      1.59571
      6       7.1892      0.00019
      7       9.6240      0.00000
      8       9.8967      0.00000
      9      10.1203      0.00000
     10      10.2507      0.00000
     11      11.4022      0.00000
     12      12.4398      0.00000

 k-point   306 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.4627      2.00000
      2       1.2243      2.00000
      3       2.5873      2.00000
      4       5.4080      1.99961
      5       5.4878      1.99913
      6       7.3879      0.00003
      7       9.0528      0.00000
      8       9.9552      0.00000
      9      10.3758      0.00000
     10      11.0632      0.00000
     11      11.4467      0.00000
     12      12.5222      0.00000

 k-point   307 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.0704      2.00000
      2       0.4323      2.00000
      3       2.9561      2.00000
      4       4.7629      2.00000
      5       5.8949      1.95017
      6       7.6951      0.00000
      7       8.2192      0.00000
      8       9.8315      0.00000
      9      10.7757      0.00000
     10      10.9204      0.00000
     11      12.3261      0.00000
     12      12.6010      0.00000

 k-point   308 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.6838      2.00000
      2      -0.1759      2.00000
      3       3.2003      2.00000
      4       4.4212      2.00000
      5       6.3322      0.66077
      6       7.5526      0.00000
      7       7.9976      0.00000
      8       9.5202      0.00000
      9      11.0173      0.00000
     10      11.0500      0.00000
     11      12.2580      0.00000
     12      12.5527      0.00000

 k-point   309 :      -0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.6103      2.00000
      2      -0.2827      2.00000
      3       3.0164      2.00000
      4       4.6857      2.00000
      5       6.4298      0.31347
      6       7.4252      0.00002
      7       8.1050      0.00000
      8       9.4231      0.00000
      9      10.7894      0.00000
     10      11.2140      0.00000
     11      12.3658      0.00000
     12      12.5861      0.00000

 k-point   310 :      -0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.9548      2.00000
      2       0.2139      2.00000
      3       2.6542      2.00000
      4       5.2988      1.99987
      5       6.0245      1.82921
      6       7.9321      0.00000
      7       7.9992      0.00000
      8       9.6814      0.00000
      9      10.3919      0.00000
     10      11.2381      0.00000
     11      11.9750      0.00000
     12      13.0096      0.00000

 k-point   311 :      -0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.3597      2.00000
      2       0.9332      2.00000
      3       2.3482      2.00000
      4       5.5985      1.99737
      5       5.9970      1.86750
      6       7.7301      0.00000
      7       8.7849      0.00000
      8       9.9859      0.00000
      9      10.0404      0.00000
     10      11.1481      0.00000
     11      11.4220      0.00000
     12      12.7324      0.00000

 k-point   312 :      -0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7045      2.00000
      2       1.5733      2.00000
      3       2.3242      2.00000
      4       5.2489      1.99992
      5       6.5242      0.13497
      6       7.8176      0.00000
      7       9.5369      0.00000
      8       9.8297      0.00000
      9       9.9271      0.00000
     10      10.4548      0.00000
     11      11.2231      0.00000
     12      12.4570      0.00000

 k-point   313 :      -0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9621      2.00000
      2       1.6547      2.00000
      3       3.0366      2.00000
      4       4.9915      1.99999
      5       6.6127      0.05799
      6       8.4286      0.00000
      7       8.7331      0.00000
      8       9.4985      0.00000
      9      10.1056      0.00000
     10      10.8038      0.00000
     11      11.1510      0.00000
     12      12.4336      0.00000

 k-point   314 :      -0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1242      2.00000
      2       1.6045      2.00000
      3       4.0124      2.00000
      4       4.8303      2.00000
      5       6.4469      0.27087
      6       7.5584      0.00000
      7       9.2612      0.00000
      8       9.4143      0.00000
      9       9.9344      0.00000
     10      10.6574      0.00000
     11      11.9240      0.00000
     12      12.2701      0.00000

 k-point   315 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1379      2.00000
      2       1.6559      2.00000
      3       4.1128      2.00000
      4       4.8214      2.00000
      5       6.4189      0.34338
      6       7.4380      0.00002
      7       8.7934      0.00000
      8       9.3061      0.00000
      9       9.9202      0.00000
     10      11.1257      0.00000
     11      12.0631      0.00000
     12      12.5568      0.00000

 k-point   316 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1015      2.00000
      2       1.7485      2.00000
      3       4.0815      2.00000
      4       4.3828      2.00000
      5       6.8681      0.00463
      6       7.5378      0.00001
      7       8.3323      0.00000
      8       9.0347      0.00000
      9       9.9432      0.00000
     10      11.4924      0.00000
     11      11.7592      0.00000
     12      13.0706      0.00000

 k-point   317 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9662      2.00000
      2       1.9194      2.00000
      3       3.2679      2.00000
      4       4.3312      2.00000
      5       7.0491      0.00076
      6       7.6188      0.00000
      7       8.4676      0.00000
      8       9.2002      0.00000
      9       9.9233      0.00000
     10      10.6145      0.00000
     11      12.1057      0.00000
     12      13.2620      0.00000

 k-point   318 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.7344      2.00000
      2       2.0105      2.00000
      3       2.4571      2.00000
      4       4.5325      2.00000
      5       6.3160      0.73452
      6       7.7559      0.00000
      7       9.1459      0.00000
      8       9.4962      0.00000
      9       9.7544      0.00000
     10      10.5480      0.00000
     11      12.1241      0.00000
     12      12.8334      0.00000

 k-point   319 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.4125      2.00000
      2       1.2711      2.00000
      3       2.6265      2.00000
      4       4.7916      2.00000
      5       5.5722      1.99797
      6       8.0220      0.00000
      7       8.4566      0.00000
      8       9.7502      0.00000
      9      10.1806      0.00000
     10      11.5465      0.00000
     11      11.7515      0.00000
     12      12.6546      0.00000

 k-point   320 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.0196      2.00000
      2       0.4782      2.00000
      3       3.0013      2.00000
      4       4.7214      2.00000
      5       5.3503      1.99978
      6       7.6483      0.00000
      7       8.4194      0.00000
      8      10.0995      0.00000
      9      10.2946      0.00000
     10      11.1392      0.00000
     11      12.1148      0.00000
     12      12.9681      0.00000

 k-point   321 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.6317      2.00000
      2      -0.1310      2.00000
      3       3.2511      2.00000
      4       4.4248      2.00000
      5       5.6710      1.99457
      6       7.0669      0.00064
      7       8.7597      0.00000
      8      10.0521      0.00000
      9      10.3486      0.00000
     10      11.0836      0.00000
     11      11.7960      0.00000
     12      13.2825      0.00000

 k-point   322 :      -0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.5577      2.00000
      2      -0.2381      2.00000
      3       3.0635      2.00000
      4       4.6797      2.00000
      5       5.7756      1.98462
      6       6.9507      0.00203
      7       8.8748      0.00000
      8       9.9159      0.00000
      9      10.2079      0.00000
     10      11.2734      0.00000
     11      11.9629      0.00000
     12      12.9778      0.00000

 k-point   323 :      -0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9037      2.00000
      2       0.2601      2.00000
      3       2.6963      2.00000
      4       5.0903      1.99998
      5       5.6787      1.99414
      6       7.4212      0.00002
      7       8.6323      0.00000
      8       9.7465      0.00000
      9      10.3153      0.00000
     10      11.3182      0.00000
     11      12.5505      0.00000
     12      12.6345      0.00000

 k-point   324 :      -0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3094      2.00000
      2       0.9812      2.00000
      3       2.3851      2.00000
      4       4.9105      2.00000
      5       6.2392      1.11156
      6       8.0694      0.00000
      7       8.3719      0.00000
      8       9.4553      0.00000
      9      10.4452      0.00000
     10      11.4957      0.00000
     11      11.8434      0.00000
     12      12.9137      0.00000

 k-point   325 :      -0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.6545      2.00000
      2       1.6250      2.00000
      3       2.3522      2.00000
      4       4.6159      2.00000
      5       6.9510      0.00203
      6       8.1342      0.00000
      7       8.7800      0.00000
      8       9.3484      0.00000
      9      10.0689      0.00000
     10      10.8215      0.00000
     11      11.8236      0.00000
     12      12.7981      0.00000

 k-point   326 :      -0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9123      2.00000
      2       1.7004      2.00000
      3       3.0580      2.00000
      4       4.3904      2.00000
      5       7.2667      0.00009
      6       8.4756      0.00000
      7       8.5361      0.00000
      8       9.2246      0.00000
      9       9.8465      0.00000
     10      10.6419      0.00000
     11      11.6699      0.00000
     12      12.7997      0.00000

 k-point   327 :      -0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0745      2.00000
      2       1.6468      2.00000
      3       3.9431      2.00000
      4       4.3267      2.00000
      5       7.0399      0.00083
      6       7.6605      0.00000
      7       8.8318      0.00000
      8       9.3477      0.00000
      9       9.9677      0.00000
     10      11.0579      0.00000
     11      11.3035      0.00000
     12      12.6194      0.00000

 k-point   328 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9896      2.00000
      2       1.7656      2.00000
      3       3.1250      2.00000
      4       4.9675      2.00000
      5       6.5958      0.06827
      6       7.9106      0.00000
      7       8.5909      0.00000
      8       9.4357      0.00000
      9      10.0397      0.00000
     10      10.9335      0.00000
     11      11.5241      0.00000
     12      12.6656      0.00000

 k-point   329 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9533      2.00000
      2       1.8580      2.00000
      3       3.1493      2.00000
      4       4.4701      2.00000
      5       7.1410      0.00030
      6       7.9319      0.00000
      7       8.3477      0.00000
      8       8.9263      0.00000
      9       9.9899      0.00000
     10      10.5890      0.00000
     11      12.3849      0.00000
     12      13.0766      0.00000

 k-point   330 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.8178      2.00000
      2       2.0370      2.00000
      3       3.1093      2.00000
      4       3.6383      2.00000
      5       7.3345      0.00004
      6       7.9957      0.00000
      7       8.4712      0.00000
      8       9.0450      0.00000
      9       9.3627      0.00000
     10      10.4487      0.00000
     11      13.0636      0.00000
     12      13.5454      0.00000

 k-point   331 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5854      2.00000
      2       2.1668      2.00000
      3       2.5050      2.00000
      4       3.5946      2.00000
      5       6.4713      0.21866
      6       8.1110      0.00000
      7       8.6324      0.00000
      8       8.9762      0.00000
      9       9.8909      0.00000
     10      10.7367      0.00000
     11      12.6804      0.00000
     12      13.2463      0.00000

 k-point   332 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.2627      2.00000
      2       1.4084      2.00000
      3       2.7292      2.00000
      4       3.8398      2.00000
      5       5.6602      1.99512
      6       7.4684      0.00001
      7       8.7878      0.00000
      8       9.2952      0.00000
      9      10.4005      0.00000
     10      11.5882      0.00000
     11      12.1458      0.00000
     12      12.8365      0.00000

 k-point   333 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.8678      2.00000
      2       0.6144      2.00000
      3       3.1300      2.00000
      4       4.1356      2.00000
      5       4.9910      1.99999
      6       6.7726      0.01200
      7       9.1191      0.00000
      8       9.6612      0.00000
      9      10.6256      0.00000
     10      11.1815      0.00000
     11      12.1874      0.00000
     12      13.5150      0.00000

 k-point   334 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4757      2.00000
      2       0.0021      2.00000
      3       3.4028      2.00000
      4       4.3571      2.00000
      5       4.6813      2.00000
      6       6.2775      0.92054
      7       9.2953      0.00000
      8      10.0712      0.00000
      9      10.7415      0.00000
     10      10.9070      0.00000
     11      11.7082      0.00000
     12      13.7283      0.00000

 k-point   335 :      -0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4003      2.00000
      2      -0.1058      2.00000
      3       3.2023      2.00000
      4       4.4944      2.00000
      5       4.8767      2.00000
      6       6.2028      1.28568
      7       9.1306      0.00000
      8      10.1923      0.00000
      9      10.9036      0.00000
     10      11.2231      0.00000
     11      11.4372      0.00000
     12      13.4796      0.00000

 k-point   336 :      -0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.7509      2.00000
      2       0.3976      2.00000
      3       2.8162      2.00000
      4       4.2608      2.00000
      5       5.5341      1.99862
      6       6.5880      0.07363
      7       8.8044      0.00000
      8       9.8892      0.00000
      9      11.0993      0.00000
     10      11.6080      0.00000
     11      11.8322      0.00000
     12      13.4391      0.00000

 k-point   337 :      -0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.1589      2.00000
      2       1.1234      2.00000
      3       2.4833      2.00000
      4       3.9395      2.00000
      5       6.3554      0.56266
      6       7.1928      0.00018
      7       8.5085      0.00000
      8       9.5441      0.00000
      9      10.8307      0.00000
     10      12.1612      0.00000
     11      12.3353      0.00000
     12      12.7045      0.00000

 k-point   338 :      -0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5052      2.00000
      2       1.7796      2.00000
      3       2.4064      2.00000
      4       3.6710      2.00000
      5       7.2411      0.00011
      6       7.7382      0.00000
      7       8.4550      0.00000
      8       9.2537      0.00000
      9      10.2631      0.00000
     10      11.1370      0.00000
     11      12.7600      0.00000
     12      13.4389      0.00000

 k-point   339 :      -0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7636      2.00000
      2       1.8298      2.00000
      3       2.9803      2.00000
      4       3.6068      2.00000
      5       7.6601      0.00000
      6       8.1697      0.00000
      7       8.8469      0.00000
      8       9.0418      0.00000
      9       9.4063      0.00000
     10      10.7354      0.00000
     11      12.2838      0.00000
     12      13.4428      0.00000

 k-point   340 :      -0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9261      2.00000
      2       1.7622      2.00000
      3       3.1446      2.00000
      4       4.2813      2.00000
      5       7.2433      0.00011
      6       8.0801      0.00000
      7       8.6022      0.00000
      8       9.5066      0.00000
      9       9.7962      0.00000
     10      10.6160      0.00000
     11      11.5660      0.00000
     12      13.2277      0.00000

 k-point   341 :      -0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1392      2.00000
      2       0.1091      2.00000
      3       3.4106      2.00000
      4       3.6170      2.00000
      5       4.4888      2.00000
      6       5.7326      1.98996
      7       8.1596      0.00000
      8      10.2213      0.00000
      9      11.6029      0.00000
     10      11.7525      0.00000
     11      12.1047      0.00000
     12      14.0014      0.00000

 k-point   342 :      -0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.4984      2.00000
      2       0.6205      2.00000
      3       2.9296      2.00000
      4       3.3937      2.00000
      5       5.1920      1.99995
      6       6.1353      1.55887
      7       7.9041      0.00000
      8      10.7367      0.00000
      9      11.3253      0.00000
     10      11.6017      0.00000
     11      12.5351      0.00000
     12      14.0184      0.00000

 k-point   343 :      -0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9108      2.00000
      2       1.3496      2.00000
      3       2.5066      2.00000
      4       3.1498      2.00000
      5       6.0074      1.85402
      6       6.6672      0.03403
      7       7.7546      0.00000
      8      10.8417      0.00000
      9      11.1038      0.00000
     10      11.6573      0.00000
     11      12.7896      0.00000
     12      13.1019      0.00000

 k-point   344 :      -0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2591      2.00000
      2       2.0360      2.00000
      3       2.2183      2.00000
      4       3.0632      2.00000
      5       6.7239      0.01946
      6       7.1121      0.00040
      7       8.0580      0.00000
      8      10.4737      0.00000
      9      10.5222      0.00000
     10      11.4062      0.00000
     11      12.7272      0.00000
     12      13.2588      0.00000

 k-point   345 :      -0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5188      2.00000
      2       1.9197      2.00000
      3       2.3919      2.00000
      4       3.5682      2.00000
      5       6.7584      0.01382
      6       7.9847      0.00000
      7       8.7937      0.00000
      8       9.2908      0.00000
      9      10.1998      0.00000
     10      11.0686      0.00000
     11      12.6042      0.00000
     12      13.5114      0.00000

 k-point   346 :      -0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6819      2.00000
      2       1.7887      2.00000
      3       2.3764      2.00000
      4       4.4904      2.00000
      5       6.6053      0.06228
      6       8.0917      0.00000
      7       8.9706      0.00000
      8       9.5869      0.00000
      9      10.0268      0.00000
     10      10.7308      0.00000
     11      11.7412      0.00000
     12      12.7832      0.00000

 k-point   347 :      -0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.7769      2.00000
      2       0.3936      2.00000
      3       2.6622      2.00000
      4       3.5918      2.00000
      5       4.0706      2.00000
      6       5.6814      1.99397
      7       7.2743      0.00008
      8       9.5093      0.00000
      9      11.9901      0.00000
     10      12.8422      0.00000
     11      13.2647      0.00000
     12      14.8832      0.00000

 k-point   348 :      -0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.1511      2.00000
      2       0.9112      2.00000
      3       2.3210      2.00000
      4       3.3653      2.00000
      5       4.5160      2.00000
      6       6.1169      1.61891
      7       7.1637      0.00024
      8      10.0272      0.00000
      9      11.8722      0.00000
     10      12.7555      0.00000
     11      13.2471      0.00000
     12      14.5900      0.00000

 k-point   349 :      -0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.5709      2.00000
      2       1.5525      2.00000
      3       2.0154      2.00000
      4       3.1281      2.00000
      5       5.1908      1.99996
      6       6.3771      0.47918
      7       7.4396      0.00002
      8      10.7079      0.00000
      9      11.4757      0.00000
     10      12.3827      0.00000
     11      13.1938      0.00000
     12      13.5501      0.00000

 k-point   350 :      -0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9230      2.00000
      2       1.5040      2.00000
      3       2.3918      2.00000
      4       3.1228      2.00000
      5       5.7863      1.98290
      6       6.5407      0.11557
      7       8.1810      0.00000
      8      10.8629      0.00000
      9      11.2012      0.00000
     10      11.6789      0.00000
     11      12.6853      0.00000
     12      13.4922      0.00000

 k-point   351 :      -0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1848      2.00000
      2       1.2768      2.00000
      3       2.4918      2.00000
      4       3.8149      2.00000
      5       5.8906      1.95222
      6       7.2379      0.00012
      7       9.0880      0.00000
      8       9.6277      0.00000
      9      10.8232      0.00000
     10      12.0376      0.00000
     11      12.6234      0.00000
     12      12.7292      0.00000

 k-point   352 :      -0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3493      2.00000
      2       1.1284      2.00000
      3       2.4515      2.00000
      4       4.7782      2.00000
      5       5.8232      1.97535
      6       8.1032      0.00000
      7       8.4287      0.00000
      8       9.9798      0.00000
      9      10.4982      0.00000
     10      11.5240      0.00000
     11      11.7096      0.00000
     12      12.6836      0.00000

 k-point   353 :      -0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3216      2.00000
      2       0.7132      2.00000
      3       1.8139      2.00000
      4       3.1913      2.00000
      5       4.2670      2.00000
      6       5.7727      1.98506
      7       6.5332      0.12406
      8       8.9485      0.00000
      9      12.4140      0.00000
     10      13.2917      0.00000
     11      14.3140      0.00000
     12      14.8489      0.00000

 k-point   354 :      -0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7241      2.00000
      2       1.1524      2.00000
      3       1.6441      2.00000
      4       3.4587      2.00000
      5       4.0617      2.00000
      6       5.9248      1.93337
      7       6.8515      0.00547
      8       9.4217      0.00000
      9      12.2942      0.00000
     10      13.3730      0.00000
     11      14.2270      0.00000
     12      14.4657      0.00000

 k-point   355 :      -0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.1577      2.00000
      2       1.0435      2.00000
      3       2.1595      2.00000
      4       3.3915      2.00000
      5       4.4348      2.00000
      6       5.8560      1.96593
      7       7.5782      0.00000
      8      10.0896      0.00000
      9      11.8761      0.00000
     10      13.0935      0.00000
     11      13.6622      0.00000
     12      14.1048      0.00000

 k-point   356 :      -0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5172      2.00000
      2       0.7524      2.00000
      3       2.8382      2.00000
      4       3.3607      2.00000
      5       4.9476      2.00000
      6       5.9630      1.90381
      7       8.4733      0.00000
      8      10.8489      0.00000
      9      11.2932      0.00000
     10      11.8340      0.00000
     11      13.1146      0.00000
     12      14.0344      0.00000

 k-point   357 :      -0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7835      2.00000
      2       0.5212      2.00000
      3       2.8660      2.00000
      4       4.1236      2.00000
      5       5.1306      1.99998
      6       6.5676      0.08954
      7       9.4501      0.00000
      8      10.0095      0.00000
      9      11.1218      0.00000
     10      11.8226      0.00000
     11      12.1741      0.00000
     12      13.3466      0.00000

 k-point   358 :      -0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9506      2.00000
      2       0.3745      2.00000
      3       2.7998      2.00000
      4       4.9040      2.00000
      5       5.3418      1.99980
      6       7.4198      0.00002
      7       8.7252      0.00000
      8      10.3505      0.00000
      9      10.5325      0.00000
     10      11.3171      0.00000
     11      12.3911      0.00000
     12      12.7132      0.00000

 k-point   359 :      -0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1769      2.00000
      2       0.9575      2.00000
      3       1.1292      2.00000
      4       2.8009      2.00000
      5       4.6323      2.00000
      6       5.6825      1.99391
      7       6.1646      1.45024
      8       8.6250      0.00000
      9      12.8812      0.00000
     10      13.5217      0.00000
     11      13.6998      0.00000
     12      15.7627      0.00000

 k-point   360 :      -0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.2945      2.00000
      2       0.8016      2.00000
      3       1.6817      2.00000
      4       3.1557      2.00000
      5       4.1829      2.00000
      6       5.5604      1.99820
      7       6.9012      0.00333
      8       9.0553      0.00000
      9      12.7269      0.00000
     10      13.5037      0.00000
     11      13.8009      0.00000
     12      15.0819      0.00000

 k-point   361 :      -0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.7578      2.00000
      2       0.4794      2.00000
      3       2.5046      2.00000
      4       3.6076      2.00000
      5       3.9006      2.00000
      6       5.4671      1.99929
      7       7.7702      0.00000
      8       9.6866      0.00000
      9      12.2667      0.00000
     10      13.1429      0.00000
     11      13.5533      0.00000
     12      14.3240      0.00000

 k-point   362 :      -0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1331      2.00000
      2       0.1859      2.00000
      3       3.3236      2.00000
      4       3.5610      2.00000
      5       4.2650      2.00000
      6       5.5906      1.99756
      7       8.7326      0.00000
      8      10.4491      0.00000
      9      11.7775      0.00000
     10      11.9834      0.00000
     11      12.5147      0.00000
     12      14.1042      0.00000

 k-point   363 :      -0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4088      2.00000
      2      -0.0388      2.00000
      3       3.2328      2.00000
      4       4.3430      2.00000
      5       4.6175      2.00000
      6       6.1217      1.60392
      7       9.7495      0.00000
      8      10.4004      0.00000
      9      11.2214      0.00000
     10      11.3468      0.00000
     11      11.7267      0.00000
     12      13.5183      0.00000

 k-point   364 :      -0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5814      2.00000
      2      -0.1808      2.00000
      3       3.1383      2.00000
      4       4.4820      2.00000
      5       5.5836      1.99773
      6       6.8957      0.00352
      7       9.0380      0.00000
      8      10.2050      0.00000
      9      10.7389      0.00000
     10      11.3780      0.00000
     11      12.1550      0.00000
     12      12.7034      0.00000

 k-point   365 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8598      2.00000
      2       0.7117      2.00000
      3       5.0895      1.99998
      4       5.1029      1.99998
      5       6.4187      0.34401
      6       7.2269      0.00013
      7       8.3367      0.00000
      8       8.4834      0.00000
      9       9.8055      0.00000
     10      11.2365      0.00000
     11      12.0431      0.00000
     12      13.3971      0.00000

 k-point   366 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8269      2.00000
      2       0.7987      2.00000
      3       4.6120      2.00000
      4       5.1333      1.99997
      5       6.6259      0.05102
      6       7.2693      0.00008
      7       7.8123      0.00000
      8       8.5757      0.00000
      9      10.3793      0.00000
     10      11.3402      0.00000
     11      12.3918      0.00000
     12      12.6032      0.00000

 k-point   367 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6942      2.00000
      2       0.9713      2.00000
      3       3.5953      2.00000
      4       5.2615      1.99991
      5       6.2357      1.12842
      6       7.1933      0.00018
      7       8.7003      0.00000
      8       8.7639      0.00000
      9      10.7531      0.00000
     10      11.4452      0.00000
     11      11.4554      0.00000
     12      12.8601      0.00000

 k-point   368 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.4641      2.00000
      2       1.2151      2.00000
      3       2.5984      2.00000
      4       5.4107      1.99960
      5       5.4866      1.99914
      6       7.3873      0.00003
      7       9.0431      0.00000
      8       9.9800      0.00000
      9      10.3871      0.00000
     10      11.0613      0.00000
     11      11.4221      0.00000
     12      12.5218      0.00000

 k-point   369 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.1425      2.00000
      2       1.3634      2.00000
      3       1.8486      2.00000
      4       4.6277      2.00000
      5       5.8056      1.97929
      6       7.6713      0.00000
      7       9.3359      0.00000
      8       9.5020      0.00000
      9      10.6968      0.00000
     10      11.3504      0.00000
     11      11.6777      0.00000
     12      12.4298      0.00000

 k-point   370 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.7457      2.00000
      2       0.7392      2.00000
      3       2.0130      2.00000
      4       3.9815      2.00000
      5       6.2088      1.25790
      6       8.0104      0.00000
      7       8.5784      0.00000
      8       9.8270      0.00000
      9      10.3153      0.00000
     10      11.5762      0.00000
     11      11.7041      0.00000
     12      12.1553      0.00000

 k-point   371 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.3409      2.00000
      2       0.1135      2.00000
      3       2.2357      2.00000
      4       3.6413      2.00000
      5       6.6477      0.04120
      6       7.9031      0.00000
      7       8.3403      0.00000
      8       9.8571      0.00000
      9      10.0942      0.00000
     10      11.3210      0.00000
     11      11.6842      0.00000
     12      12.4756      0.00000

 k-point   372 :      -0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.2387      2.00000
      2      -0.0393      2.00000
      3       2.1051      2.00000
      4       3.8595      2.00000
      5       6.7745      0.01177
      6       7.7365      0.00000
      7       8.4590      0.00000
      8       9.6936      0.00000
      9       9.8883      0.00000
     10      11.6172      0.00000
     11      11.6196      0.00000
     12      12.7679      0.00000

 k-point   373 :      -0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.5920      2.00000
      2       0.4189      2.00000
      3       1.8128      2.00000
      4       4.4554      2.00000
      5       6.3780      0.47584
      6       8.2401      0.00000
      7       8.2846      0.00000
      8       9.4962      0.00000
      9       9.9518      0.00000
     10      11.4456      0.00000
     11      12.3107      0.00000
     12      12.7053      0.00000

 k-point   374 :      -0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.0082      2.00000
      2       0.9162      2.00000
      3       1.7449      2.00000
      4       5.2055      1.99995
      5       5.9501      1.91500
      6       7.9388      0.00000
      7       8.9176      0.00000
      8       9.2837      0.00000
      9      10.2551      0.00000
     10      11.2763      0.00000
     11      12.2152      0.00000
     12      13.0879      0.00000

 k-point   375 :      -0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.3612      2.00000
      2       0.9250      2.00000
      3       2.3584      2.00000
      4       5.5972      1.99740
      5       5.9992      1.86473
      6       7.7294      0.00000
      7       8.7753      0.00000
      8       9.9966      0.00000
      9      10.0518      0.00000
     10      11.1695      0.00000
     11      11.4044      0.00000
     12      12.7239      0.00000

 k-point   376 :      -0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6251      2.00000
      2       0.7927      2.00000
      3       3.2866      2.00000
      4       5.3359      1.99981
      5       6.6136      0.05747
      6       7.8178      0.00000
      7       8.5878      0.00000
      8       8.9682      0.00000
      9      10.4867      0.00000
     10      11.0653      0.00000
     11      11.5018      0.00000
     12      12.1878      0.00000

 k-point   377 :      -0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.7922      2.00000
      2       0.7117      2.00000
      3       4.2960      2.00000
      4       5.1706      1.99996
      5       6.7312      0.01809
      6       7.8047      0.00000
      7       8.3663      0.00000
      8       8.4878      0.00000
      9       9.8298      0.00000
     10      11.3388      0.00000
     11      11.9636      0.00000
     12      12.1887      0.00000

 k-point   378 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.8097      2.00000
      2       0.7552      2.00000
      3       4.4409      2.00000
      4       5.1452      1.99997
      5       6.7116      0.02197
      6       7.5837      0.00000
      7       7.9799      0.00000
      8       8.4763      0.00000
      9      10.2489      0.00000
     10      11.3273      0.00000
     11      12.1060      0.00000
     12      12.4297      0.00000

 k-point   379 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7768      2.00000
      2       0.8424      2.00000
      3       4.4352      2.00000
      4       4.7094      2.00000
      5       7.1405      0.00030
      6       7.3277      0.00005
      7       7.7177      0.00000
      8       8.4335      0.00000
      9      10.8680      0.00000
     10      11.3663      0.00000
     11      11.8078      0.00000
     12      12.5753      0.00000

 k-point   380 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6441      2.00000
      2       1.0158      2.00000
      3       3.6263      2.00000
      4       4.6271      2.00000
      5       6.4061      0.38141
      6       7.7547      0.00000
      7       8.0912      0.00000
      8       8.9901      0.00000
      9      10.7264      0.00000
     10      11.2579      0.00000
     11      11.6484      0.00000
     12      13.2651      0.00000

 k-point   381 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.4139      2.00000
      2       1.2618      2.00000
      3       2.6377      2.00000
      4       4.7909      2.00000
      5       5.5745      1.99793
      6       8.0205      0.00000
      7       8.4500      0.00000
      8       9.7608      0.00000
      9      10.2079      0.00000
     10      11.5200      0.00000
     11      11.7394      0.00000
     12      12.6616      0.00000

 k-point   382 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0921      2.00000
      2       1.4158      2.00000
      3       1.8867      2.00000
      4       4.5891      2.00000
      5       5.2842      1.99989
      6       8.3359      0.00000
      7       8.6240      0.00000
      8       9.0263      0.00000
      9      11.3248      0.00000
     10      11.7627      0.00000
     11      11.8177      0.00000
     12      11.8847      0.00000

 k-point   383 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.6948      2.00000
      2       0.7873      2.00000
      3       2.0595      2.00000
      4       3.9949      2.00000
      5       5.6045      1.99720
      6       7.9782      0.00000
      7       8.7273      0.00000
      8       9.2045      0.00000
      9      10.9306      0.00000
     10      11.2660      0.00000
     11      12.2020      0.00000
     12      12.3619      0.00000

 k-point   384 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2890      2.00000
      2       0.1602      2.00000
      3       2.2870      2.00000
      4       3.6590      2.00000
      5       5.9900      1.87586
      6       7.3684      0.00003
      7       9.0825      0.00000
      8       9.4343      0.00000
      9      10.3563      0.00000
     10      11.0382      0.00000
     11      12.4159      0.00000
     12      12.5906      0.00000

 k-point   385 :      -0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.1862      2.00000
      2       0.0072      2.00000
      3       2.1533      2.00000
      4       3.8767      2.00000
      5       6.1095      1.64126
      6       7.2117      0.00015
      7       9.1999      0.00000
      8       9.2700      0.00000
      9      10.2821      0.00000
     10      11.2075      0.00000
     11      12.3335      0.00000
     12      12.8269      0.00000

 k-point   386 :      -0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.5408      2.00000
      2       0.4678      2.00000
      3       1.8556      2.00000
      4       4.4521      2.00000
      5       5.8060      1.97920
      6       7.6697      0.00000
      7       8.8447      0.00000
      8       9.0307      0.00000
      9      10.6715      0.00000
     10      11.7030      0.00000
     11      12.1387      0.00000
     12      12.7786      0.00000

 k-point   387 :      -0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.9576      2.00000
      2       0.9681      2.00000
      3       1.7818      2.00000
      4       4.9972      1.99999
      5       5.6359      1.99617
      6       8.1986      0.00000
      7       8.4932      0.00000
      8       8.9120      0.00000
      9      11.0069      0.00000
     10      11.7858      0.00000
     11      12.2998      0.00000
     12      12.4804      0.00000

 k-point   388 :      -0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3108      2.00000
      2       0.9730      2.00000
      3       2.3953      2.00000
      4       4.9094      2.00000
      5       6.2413      1.10089
      6       8.0620      0.00000
      7       8.3716      0.00000
      8       9.4643      0.00000
      9      10.4647      0.00000
     10      11.5013      0.00000
     11      11.8238      0.00000
     12      12.9145      0.00000

 k-point   389 :      -0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.5749      2.00000
      2       0.8379      2.00000
      3       3.3172      2.00000
      4       4.7011      2.00000
      5       7.0241      0.00098
      6       7.8481      0.00000
      7       8.2411      0.00000
      8       9.2733      0.00000
      9      10.3556      0.00000
     10      10.9159      0.00000
     11      11.7551      0.00000
     12      12.5014      0.00000

 k-point   390 :      -0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7421      2.00000
      2       0.7558      2.00000
      3       4.2581      2.00000
      4       4.6178      2.00000
      5       7.3098      0.00006
      6       7.6279      0.00000
      7       8.1717      0.00000
      8       8.5638      0.00000
      9      10.2642      0.00000
     10      11.2160      0.00000
     11      11.6034      0.00000
     12      12.3669      0.00000

 k-point   391 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6601      2.00000
      2       0.8821      2.00000
      3       3.4274      2.00000
      4       5.2910      1.99988
      5       6.4711      0.21903
      6       7.4666      0.00001
      7       8.5613      0.00000
      8       8.8611      0.00000
      9      10.7821      0.00000
     10      11.1480      0.00000
     11      11.5901      0.00000
     12      12.5519      0.00000

 k-point   392 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6273      2.00000
      2       0.9696      2.00000
      3       3.4534      2.00000
      4       4.8099      2.00000
      5       6.7575      0.01394
      6       7.4719      0.00001
      7       7.9768      0.00000
      8       9.0748      0.00000
      9      10.7447      0.00000
     10      11.5094      0.00000
     11      11.6188      0.00000
     12      12.8478      0.00000

 k-point   393 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4945      2.00000
      2       1.1458      2.00000
      3       3.4705      2.00000
      4       3.9079      2.00000
      5       6.4725      0.21634
      6       7.2817      0.00007
      7       8.7429      0.00000
      8       9.3609      0.00000
      9       9.7932      0.00000
     10      11.6501      0.00000
     11      12.3328      0.00000
     12      12.7391      0.00000

 k-point   394 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.2640      2.00000
      2       1.3989      2.00000
      3       2.7404      2.00000
      4       3.8388      2.00000
      5       5.6625      1.99501
      6       7.4616      0.00001
      7       8.7972      0.00000
      8       9.2971      0.00000
      9      10.4284      0.00000
     10      11.5698      0.00000
     11      12.1286      0.00000
     12      12.8326      0.00000

 k-point   395 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.9415      2.00000
      2       1.5729      2.00000
      3       1.9948      2.00000
      4       4.0457      2.00000
      5       4.9343      2.00000
      6       7.5568      0.00000
      7       8.1267      0.00000
      8       9.6146      0.00000
      9      10.9644      0.00000
     10      11.7027      0.00000
     11      12.3698      0.00000
     12      12.9178      0.00000

 k-point   396 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.5428      2.00000
      2       0.9305      2.00000
      3       2.1970      2.00000
      4       3.9717      2.00000
      5       4.6937      2.00000
      6       7.0145      0.00107
      7       8.2202      0.00000
      8       9.9088      0.00000
      9      10.4743      0.00000
     10      12.0208      0.00000
     11      12.6872      0.00000
     12      13.3984      0.00000

 k-point   397 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.1335      2.00000
      2       0.2991      2.00000
      3       2.4406      2.00000
      4       3.6993      2.00000
      5       4.9514      2.00000
      6       6.4666      0.22798
      7       8.3762      0.00000
      8       9.9950      0.00000
      9      10.4679      0.00000
     10      11.7431      0.00000
     11      12.7763      0.00000
     12      13.7087      0.00000

 k-point   398 :      -0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.0291      2.00000
      2       0.1455      2.00000
      3       2.2968      2.00000
      4       3.9116      2.00000
      5       5.0657      1.99999
      6       6.3257      0.68994
      7       8.2606      0.00000
      8      10.1964      0.00000
      9      10.5951      0.00000
     10      11.6173      0.00000
     11      12.9467      0.00000
     12      13.5853      0.00000

 k-point   399 :      -0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.3876      2.00000
      2       0.6136      2.00000
      3       1.9814      2.00000
      4       4.2966      2.00000
      5       5.0275      1.99999
      6       6.6978      0.02517
      7       8.0150      0.00000
      8      10.1730      0.00000
      9      10.9310      0.00000
     10      11.8923      0.00000
     11      12.9493      0.00000
     12      13.2114      0.00000

 k-point   400 :      -0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.8063      2.00000
      2       1.1236      2.00000
      3       1.8870      2.00000
      4       4.1912      2.00000
      5       5.5601      1.99820
      6       7.1326      0.00033
      7       7.9690      0.00000
      8       9.8541      0.00000
      9      11.6230      0.00000
     10      11.9760      0.00000
     11      12.6558      0.00000
     12      12.7221      0.00000

 k-point   401 :      -0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.1603      2.00000
      2       1.1149      2.00000
      3       2.4937      2.00000
      4       3.9384      2.00000
      5       6.3564      0.55862
      6       7.1880      0.00019
      7       8.5170      0.00000
      8       9.5443      0.00000
      9      10.8577      0.00000
     10      12.1356      0.00000
     11      12.3350      0.00000
     12      12.7041      0.00000

 k-point   402 :      -0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4249      2.00000
      2       0.9709      2.00000
      3       3.3045      2.00000
      4       3.8367      2.00000
      5       6.8115      0.00814
      6       7.5082      0.00001
      7       9.1232      0.00000
      8       9.3534      0.00000
      9       9.6759      0.00000
     10      11.6063      0.00000
     11      11.9919      0.00000
     12      12.9669      0.00000

 k-point   403 :      -0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.5924      2.00000
      2       0.8844      2.00000
      3       3.4611      2.00000
      4       4.5416      2.00000
      5       6.7096      0.02242
      6       8.1279      0.00000
      7       8.3184      0.00000
      8       9.1375      0.00000
      9      10.3176      0.00000
     10      10.8383      0.00000
     11      11.8175      0.00000
     12      12.8339      0.00000

 k-point   404 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4137      2.00000
      2       1.0706      2.00000
      3       2.4661      2.00000
      4       5.5323      1.99864
      5       5.7130      1.99174
      6       7.5630      0.00000
      7       8.8142      0.00000
      8      10.0397      0.00000
      9      10.1948      0.00000
     10      11.2076      0.00000
     11      11.4753      0.00000
     12      12.6197      0.00000

 k-point   405 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3809      2.00000
      2       1.1576      2.00000
      3       2.4971      2.00000
      4       4.9831      1.99999
      5       5.9679      1.89924
      6       7.7173      0.00000
      7       8.1987      0.00000
      8       9.7779      0.00000
      9      10.3524      0.00000
     10      11.6066      0.00000
     11      11.9438      0.00000
     12      12.5222      0.00000

 k-point   406 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.2480      2.00000
      2       1.3387      2.00000
      3       2.5967      2.00000
      4       4.0305      2.00000
      5       6.0458      1.79281
      6       7.0090      0.00113
      7       8.7835      0.00000
      8       9.2200      0.00000
      9      10.5578      0.00000
     10      11.5894      0.00000
     11      12.1366      0.00000
     12      13.0735      0.00000

 k-point   407 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.0169      2.00000
      2       1.6071      2.00000
      3       2.6495      2.00000
      4       3.1869      2.00000
      5       5.7279      1.99042
      6       6.5889      0.07301
      7       7.9179      0.00000
      8      10.4486      0.00000
      9      10.6279      0.00000
     10      11.1469      0.00000
     11      12.2988      0.00000
     12      13.8720      0.00000

 k-point   408 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.6931      2.00000
      2       1.8340      2.00000
      3       2.1315      2.00000
      4       3.1708      2.00000
      5       5.0095      1.99999
      6       6.5230      0.13647
      7       7.2899      0.00007
      8      10.0721      0.00000
      9      11.0878      0.00000
     10      11.9724      0.00000
     11      12.7426      0.00000
     12      14.1378      0.00000

 k-point   409 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.2917      2.00000
      2       1.1632      2.00000
      3       2.4135      2.00000
      4       3.4331      2.00000
      5       4.3553      2.00000
      6       6.0727      1.73726
      7       7.2615      0.00009
      8       9.5531      0.00000
      9      11.4834      0.00000
     10      12.5185      0.00000
     11      13.7625      0.00000
     12      14.0358      0.00000

 k-point   410 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.8760      2.00000
      2       0.5258      2.00000
      3       2.6951      2.00000
      4       3.6561      2.00000
      5       4.0123      2.00000
      6       5.6151      1.99689
      7       7.3598      0.00003
      8       9.3180      0.00000
      9      11.8848      0.00000
     10      12.7461      0.00000
     11      13.3161      0.00000
     12      15.0396      0.00000

 k-point   411 :      -0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.7683      2.00000
      2       0.3711      2.00000
      3       2.5307      2.00000
      4       3.8044      2.00000
      5       4.1646      2.00000
      6       5.5094      1.99892
      7       7.2881      0.00007
      8       9.4933      0.00000
      9      12.0413      0.00000
     10      12.8364      0.00000
     11      13.2009      0.00000
     12      14.8525      0.00000

 k-point   412 :      -0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.1343      2.00000
      2       0.8522      2.00000
      3       2.1781      2.00000
      4       3.5833      2.00000
      5       4.8158      2.00000
      6       5.7825      1.98352
      7       7.1471      0.00029
      8       9.9930      0.00000
      9      11.7403      0.00000
     10      12.9284      0.00000
     11      13.3906      0.00000
     12      14.3519      0.00000

 k-point   413 :      -0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.5565      2.00000
      2       1.3815      2.00000
      3       2.0285      2.00000
      4       3.2866      2.00000
      5       5.6111      1.99701
      6       6.1035      1.65864
      7       7.2323      0.00012
      8      10.6498      0.00000
      9      11.3789      0.00000
     10      12.4365      0.00000
     11      13.2771      0.00000
     12      13.6462      0.00000

 k-point   414 :      -0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.9122      2.00000
      2       1.3406      2.00000
      3       2.5143      2.00000
      4       3.1517      2.00000
      5       6.0009      1.86259
      6       6.6723      0.03236
      7       7.7612      0.00000
      8      10.8506      0.00000
      9      11.1246      0.00000
     10      11.6510      0.00000
     11      12.7641      0.00000
     12      13.1123      0.00000

 k-point   415 :      -0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1776      2.00000
      2       1.1756      2.00000
      3       2.6105      2.00000
      4       3.7730      2.00000
      5       5.9363      1.92556
      6       7.6500      0.00000
      7       8.5454      0.00000
      8       9.6708      0.00000
      9      10.6886      0.00000
     10      12.0334      0.00000
     11      12.1250      0.00000
     12      12.8519      0.00000

 k-point   416 :      -0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3457      2.00000
      2       1.0783      2.00000
      3       2.5111      2.00000
      4       4.7343      2.00000
      5       5.8423      1.97025
      6       8.3849      0.00000
      7       8.6132      0.00000
      8       9.4308      0.00000
      9      10.2796      0.00000
     10      11.2818      0.00000
     11      11.9631      0.00000
     12      13.0277      0.00000

 k-point   417 :      -0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4064      2.00000
      2       0.6728      2.00000
      3       2.8282      2.00000
      4       3.0217      2.00000
      5       3.8538      2.00000
      6       4.9871      1.99999
      7       6.4019      0.39464
      8       8.8367      0.00000
      9      13.5090      0.00000
     10      13.5964      0.00000
     11      13.9965      0.00000
     12      15.4765      0.00000

 k-point   418 :      -0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.7854      2.00000
      2       1.1715      2.00000
      3       2.3455      2.00000
      4       2.8251      2.00000
      5       4.5402      2.00000
      6       5.2150      1.99994
      7       6.4286      0.31669
      8       9.2923      0.00000
      9      13.2078      0.00000
     10      13.4443      0.00000
     11      14.2187      0.00000
     12      15.0176      0.00000

 k-point   419 :      -0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2136      2.00000
      2       1.7391      2.00000
      3       1.9688      2.00000
      4       2.6930      2.00000
      5       5.1566      1.99997
      6       5.5396      1.99854
      7       6.7695      0.01237
      8       9.9509      0.00000
      9      12.7553      0.00000
     10      12.8107      0.00000
     11      13.7674      0.00000
     12      14.2769      0.00000

 k-point   420 :      -0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.5722      2.00000
      2       1.5442      2.00000
      3       2.0152      2.00000
      4       3.1368      2.00000
      5       5.1848      1.99996
      6       6.3851      0.45041
      7       7.4432      0.00001
      8      10.7131      0.00000
      9      11.5049      0.00000
     10      12.3664      0.00000
     11      13.1762      0.00000
     12      13.5653      0.00000

 k-point   421 :      -0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8395      2.00000
      2       1.3085      2.00000
      3       1.9053      2.00000
      4       4.0053      2.00000
      5       5.1265      1.99998
      6       7.3762      0.00003
      7       8.2816      0.00000
      8      10.0103      0.00000
      9      11.6378      0.00000
     10      11.9360      0.00000
     11      12.4050      0.00000
     12      12.8473      0.00000

 k-point   422 :      -0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0086      2.00000
      2       1.1692      2.00000
      3       1.8164      2.00000
      4       4.7761      2.00000
      5       5.2768      1.99989
      6       8.3736      0.00000
      7       8.7392      0.00000
      8       9.1052      0.00000
      9      11.0347      0.00000
     10      11.8696      0.00000
     11      12.0900      0.00000
     12      12.4747      0.00000

 k-point   423 :      -0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1       0.0490      2.00000
      2       1.0195      2.00000
      3       2.1662      2.00000
      4       3.0996      2.00000
      5       3.5363      2.00000
      6       4.8443      2.00000
      7       5.6544      1.99540
      8       8.3370      0.00000
      9      13.9271      0.00000
     10      14.7023      0.00000
     11      15.1740      0.00000
     12      15.7265      0.00000

 k-point   424 :      -0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.3546      2.00000
      2       1.4883      2.00000
      3       1.8897      2.00000
      4       2.8623      2.00000
      5       3.8982      2.00000
      6       5.0025      1.99999
      7       6.0208      1.83483
      8       8.7389      0.00000
      9      13.8151      0.00000
     10      14.6149      0.00000
     11      14.8620      0.00000
     12      15.5044      0.00000

 k-point   425 :      -0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.7942      2.00000
      2       1.3654      2.00000
      3       2.1881      2.00000
      4       2.7661      2.00000
      5       4.3114      2.00000
      6       5.2257      1.99994
      7       6.7139      0.02148
      8       9.3480      0.00000
      9      13.2347      0.00000
     10      13.6908      0.00000
     11      14.6088      0.00000
     12      14.7890      0.00000

 k-point   426 :      -0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.1590      2.00000
      2       1.0414      2.00000
      3       2.1510      2.00000
      4       3.4009      2.00000
      5       4.4312      2.00000
      6       5.8636      1.96331
      7       7.5811      0.00000
      8      10.0929      0.00000
      9      11.9087      0.00000
     10      13.0651      0.00000
     11      13.6770      0.00000
     12      14.1223      0.00000

 k-point   427 :      -0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4300      2.00000
      2       0.7930      2.00000
      3       1.9996      2.00000
      4       4.0743      2.00000
      5       4.6659      2.00000
      6       6.7439      0.01595
      7       8.5367      0.00000
      8      10.3622      0.00000
      9      11.0268      0.00000
     10      12.1987      0.00000
     11      12.7996      0.00000
     12      13.0428      0.00000

 k-point   428 :      -0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6015      2.00000
      2       0.6372      2.00000
      3       1.9124      2.00000
      4       4.1846      2.00000
      5       5.5282      1.99869
      6       7.6895      0.00000
      7       9.0890      0.00000
      8       9.4407      0.00000
      9      10.9684      0.00000
     10      11.7263      0.00000
     11      11.8903      0.00000
     12      12.6491      0.00000

 k-point   429 :      -0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.5507      2.00000
      2       1.3047      2.00000
      3       1.4751      2.00000
      4       2.8815      2.00000
      5       3.7214      2.00000
      6       4.7500      2.00000
      7       5.2124      1.99994
      8       8.0604      0.00000
      9      14.3847      0.00000
     10      15.0106      0.00000
     11      15.1755      0.00000
     12      16.5349      0.00000

 k-point   430 :      -0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.0858      2.00000
      2       1.1429      2.00000
      3       1.9814      2.00000
      4       3.0882      2.00000
      5       3.3792      2.00000
      6       4.7558      2.00000
      7       5.9422      1.92122
      8       8.4217      0.00000
      9      14.2627      0.00000
     10      14.9102      0.00000
     11      15.1922      0.00000
     12      15.4961      0.00000

 k-point   431 :      -0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.3801      2.00000
      2       0.7910      2.00000
      3       2.6760      2.00000
      4       2.9368      2.00000
      5       3.6246      2.00000
      6       4.9354      2.00000
      7       6.8099      0.00828
      8       8.9845      0.00000
      9      13.6954      0.00000
     10      14.0199      0.00000
     11      14.3853      0.00000
     12      15.2631      0.00000

 k-point   432 :      -0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.7590      2.00000
      2       0.4777      2.00000
      3       2.4937      2.00000
      4       3.6105      2.00000
      5       3.9067      2.00000
      6       5.4734      1.99925
      7       7.7732      0.00000
      8       9.6896      0.00000
      9      12.3033      0.00000
     10      13.1585      0.00000
     11      13.5173      0.00000
     12      14.3463      0.00000

 k-point   433 :      -0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0387      2.00000
      2       0.2399      2.00000
      3       2.2953      2.00000
      4       3.7125      2.00000
      5       4.8193      2.00000
      6       6.2710      0.95276
      7       8.7992      0.00000
      8      10.4404      0.00000
      9      10.8506      0.00000
     10      11.8685      0.00000
     11      13.0788      0.00000
     12      13.1665      0.00000

 k-point   434 :      -0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2157      2.00000
      2       0.0899      2.00000
      3       2.1907      2.00000
      4       3.7054      2.00000
      5       5.8696      1.96108
      6       7.1550      0.00026
      7       9.4099      0.00000
      8       9.8047      0.00000
      9      10.5767      0.00000
     10      11.2570      0.00000
     11      11.9617      0.00000
     12      12.9211      0.00000

 k-point   435 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4706      2.00000
      2      -0.0648      2.00000
      3       5.4915      1.99910
      4       5.5192      1.99881
      5       6.8709      0.00451
      6       7.3051      0.00006
      7       7.6233      0.00000
      8       7.6671      0.00000
      9       8.9750      0.00000
     10      11.4700      0.00000
     11      13.0892      0.00000
     12      13.7224      0.00000

 k-point   436 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4387      2.00000
      2       0.0138      2.00000
      3       5.0332      1.99999
      4       5.5462      1.99844
      5       6.5679      0.08926
      6       7.1642      0.00024
      7       7.7529      0.00000
      8       7.8046      0.00000
      9       9.6365      0.00000
     10      11.8072      0.00000
     11      12.9870      0.00000
     12      13.0929      0.00000

 k-point   437 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.3057      2.00000
      2       0.1792      2.00000
      3       3.9966      2.00000
      4       5.6482      1.99567
      5       5.6707      1.99458
      6       7.4386      0.00002
      7       7.9357      0.00000
      8       8.8389      0.00000
      9      10.2311      0.00000
     10      11.8384      0.00000
     11      12.5908      0.00000
     12      12.9507      0.00000

 k-point   438 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.0736      2.00000
      2       0.4255      2.00000
      3       2.9660      2.00000
      4       4.7686      2.00000
      5       5.8920      1.95156
      6       7.6925      0.00000
      7       8.2122      0.00000
      8       9.8413      0.00000
      9      10.7848      0.00000
     10      10.9414      0.00000
     11      12.3304      0.00000
     12      12.6083      0.00000

 k-point   439 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.7475      2.00000
      2       0.7339      2.00000
      3       2.0196      2.00000
      4       3.9843      2.00000
      5       6.2071      1.26574
      6       8.0087      0.00000
      7       8.5729      0.00000
      8       9.8332      0.00000
      9      10.3148      0.00000
     10      11.5816      0.00000
     11      11.7077      0.00000
     12      12.1883      0.00000

 k-point   440 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.3411      2.00000
      2       0.9638      2.00000
      3       1.2838      2.00000
      4       3.3521      2.00000
      5       6.6073      0.06109
      6       8.3821      0.00000
      7       8.9619      0.00000
      8       9.0156      0.00000
      9      10.4314      0.00000
     10      10.9600      0.00000
     11      10.9939      0.00000
     12      13.3531      0.00000

 k-point   441 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.9097      2.00000
      2       0.4297      2.00000
      3       1.3712      2.00000
      4       3.0115      2.00000
      5       7.0486      0.00076
      6       8.3069      0.00000
      7       8.7601      0.00000
      8       9.2850      0.00000
      9      10.0692      0.00000
     10      10.5311      0.00000
     11      10.8878      0.00000
     12      13.3896      0.00000

 k-point   442 :      -0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.7748      2.00000
      2       0.2027      2.00000
      3       1.3307      2.00000
      4       3.1672      2.00000
      5       7.1985      0.00017
      6       8.1036      0.00000
      7       8.9065      0.00000
      8       9.1224      0.00000
      9       9.8143      0.00000
     10      10.7774      0.00000
     11      10.9346      0.00000
     12      13.5084      0.00000

 k-point   443 :      -0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.1579      2.00000
      2       0.4744      2.00000
      3       1.2941      2.00000
      4       3.7160      2.00000
      5       6.8056      0.00864
      6       8.5048      0.00000
      7       8.6136      0.00000
      8       8.8688      0.00000
      9       9.9470      0.00000
     10      11.0696      0.00000
     11      11.4566      0.00000
     12      13.7066      0.00000

 k-point   444 :      -0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.5940      2.00000
      2       0.4146      2.00000
      3       1.8188      2.00000
      4       4.4579      2.00000
      5       6.3762      0.48250
      6       8.2378      0.00000
      7       8.2793      0.00000
      8       9.5029      0.00000
      9       9.9520      0.00000
     10      11.4495      0.00000
     11      12.3138      0.00000
     12      12.7376      0.00000

 k-point   445 :      -0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.9582      2.00000
      2       0.2075      2.00000
      3       2.6643      2.00000
      4       5.3039      1.99986
      5       6.0214      1.83393
      6       7.9287      0.00000
      7       7.9923      0.00000
      8       9.6849      0.00000
      9      10.4019      0.00000
     10      11.2683      0.00000
     11      11.9830      0.00000
     12      13.0247      0.00000

 k-point   446 :      -0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.2290      2.00000
      2       0.0388      2.00000
      3       3.6367      2.00000
      4       5.7579      1.98710
      5       6.1798      1.38732
      6       7.7363      0.00000
      7       7.7885      0.00000
      8       9.0665      0.00000
      9       9.9811      0.00000
     10      11.4172      0.00000
     11      11.9823      0.00000
     12      12.7031      0.00000

 k-point   447 :      -0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4005      2.00000
      2      -0.0555      2.00000
      3       4.6659      2.00000
      4       5.5899      1.99758
      5       6.8660      0.00473
      6       7.6791      0.00000
      7       7.7436      0.00000
      8       8.0549      0.00000
      9       9.0655      0.00000
     10      11.5469      0.00000
     11      12.5347      0.00000
     12      12.9911      0.00000

 k-point   448 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.4197      2.00000
      2      -0.0210      2.00000
      3       4.8444      2.00000
      4       5.5473      1.99842
      5       6.7685      0.01250
      6       7.3222      0.00005
      7       7.7269      0.00000
      8       7.9609      0.00000
      9       9.4402      0.00000
     10      11.6515      0.00000
     11      12.6543      0.00000
     12      13.1714      0.00000

 k-point   449 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3879      2.00000
      2       0.0578      2.00000
      3       4.8635      2.00000
      4       5.0893      1.99998
      5       6.6071      0.06120
      6       7.1265      0.00035
      7       7.6988      0.00000
      8       8.2804      0.00000
      9      10.0557      0.00000
     10      11.8848      0.00000
     11      12.2529      0.00000
     12      13.1128      0.00000

 k-point   450 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2548      2.00000
      2       0.2238      2.00000
      3       4.0371      2.00000
      4       4.9764      1.99999
      5       5.7531      1.98769
      6       7.3761      0.00003
      7       8.1320      0.00000
      8       9.1175      0.00000
      9      10.6317      0.00000
     10      11.1565      0.00000
     11      12.5933      0.00000
     12      12.9829      0.00000

 k-point   451 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.0228      2.00000
      2       0.4714      2.00000
      3       3.0112      2.00000
      4       4.7260      2.00000
      5       5.3484      1.99978
      6       7.6424      0.00000
      7       8.4175      0.00000
      8      10.1077      0.00000
      9      10.3146      0.00000
     10      11.1487      0.00000
     11      12.1210      0.00000
     12      12.9634      0.00000

 k-point   452 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6967      2.00000
      2       0.7820      2.00000
      3       2.0662      2.00000
      4       3.9977      2.00000
      5       5.6028      1.99725
      6       7.9735      0.00000
      7       8.7259      0.00000
      8       9.2101      0.00000
      9      10.9287      0.00000
     10      11.2739      0.00000
     11      12.2228      0.00000
     12      12.3731      0.00000

 k-point   453 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.2900      2.00000
      2       1.0163      2.00000
      3       1.3296      2.00000
      4       3.3734      2.00000
      5       5.9812      1.88573
      6       8.2514      0.00000
      7       8.4734      0.00000
      8       9.0925      0.00000
      9      10.5209      0.00000
     10      11.2201      0.00000
     11      11.7162      0.00000
     12      13.6085      0.00000

 k-point   454 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.8579      2.00000
      2       0.4791      2.00000
      3       1.4229      2.00000
      4       3.0326      2.00000
      5       6.3946      0.41810
      6       7.7045      0.00000
      7       8.6020      0.00000
      8       9.4909      0.00000
      9      10.1131      0.00000
     10      10.8888      0.00000
     11      11.6448      0.00000
     12      13.7685      0.00000

 k-point   455 :      -0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.7225      2.00000
      2       0.2523      2.00000
      3       1.3794      2.00000
      4       3.1896      2.00000
      5       6.5367      0.11999
      6       7.4934      0.00001
      7       8.5100      0.00000
      8       9.6544      0.00000
      9      10.2145      0.00000
     10      10.6999      0.00000
     11      11.6806      0.00000
     12      13.9385      0.00000

 k-point   456 :      -0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.1064      2.00000
      2       0.5264      2.00000
      3       1.3368      2.00000
      4       3.7358      2.00000
      5       6.1871      1.35600
      6       7.7894      0.00000
      7       8.3863      0.00000
      8       9.3324      0.00000
      9      10.7420      0.00000
     10      10.9019      0.00000
     11      11.7915      0.00000
     12      14.1701      0.00000

 k-point   457 :      -0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.5428      2.00000
      2       0.4634      2.00000
      3       1.8616      2.00000
      4       4.4545      2.00000
      5       5.8042      1.97957
      6       7.6656      0.00000
      7       8.8477      0.00000
      8       9.0314      0.00000
      9      10.6709      0.00000
     10      11.7076      0.00000
     11      12.1429      0.00000
     12      12.8087      0.00000

 k-point   458 :      -0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9071      2.00000
      2       0.2538      2.00000
      3       2.7064      2.00000
      4       5.0915      1.99998
      5       5.6791      1.99411
      6       7.4158      0.00002
      7       8.6295      0.00000
      8       9.7547      0.00000
      9      10.3217      0.00000
     10      11.3458      0.00000
     11      12.5620      0.00000
     12      12.6414      0.00000

 k-point   459 :      -0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.1780      2.00000
      2       0.0836      2.00000
      3       3.6742      2.00000
      4       5.0654      1.99999
      5       6.3493      0.58734
      6       7.2287      0.00013
      7       8.3885      0.00000
      8       9.4520      0.00000
      9      10.2207      0.00000
     10      10.7271      0.00000
     11      12.1880      0.00000
     12      13.1635      0.00000

 k-point   460 :      -0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3496      2.00000
      2      -0.0114      2.00000
      3       4.6611      2.00000
      4       4.9724      1.99999
      5       6.9124      0.00298
      6       7.3296      0.00005
      7       8.1384      0.00000
      8       8.3241      0.00000
      9       9.4977      0.00000
     10      11.5608      0.00000
     11      11.9516      0.00000
     12      13.2931      0.00000

 k-point   461 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2675      2.00000
      2       0.1086      2.00000
      3       3.8109      2.00000
      4       5.6916      1.99333
      5       5.9176      1.93784
      6       7.4428      0.00001
      7       7.9782      0.00000
      8       8.9869      0.00000
      9      10.1926      0.00000
     10      11.5731      0.00000
     11      12.2428      0.00000
     12      12.8663      0.00000

 k-point   462 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2358      2.00000
      2       0.1879      2.00000
      3       3.8397      2.00000
      4       5.1849      1.99996
      5       6.0449      1.79448
      6       6.9909      0.00136
      7       8.1204      0.00000
      8       9.2875      0.00000
      9      10.7924      0.00000
     10      11.1310      0.00000
     11      12.3412      0.00000
     12      13.0143      0.00000

 k-point   463 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.1030      2.00000
      2       0.3560      2.00000
      3       3.9142      2.00000
      4       4.2192      2.00000
      5       5.6946      1.99312
      6       6.6594      0.03674
      7       9.1341      0.00000
      8       9.6229      0.00000
      9      10.1205      0.00000
     10      11.5543      0.00000
     11      11.9760      0.00000
     12      13.0638      0.00000

 k-point   464 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.8710      2.00000
      2       0.6075      2.00000
      3       3.1399      2.00000
      4       4.1338      2.00000
      5       4.9946      1.99999
      6       6.7684      0.01251
      7       9.1277      0.00000
      8       9.6606      0.00000
      9      10.6549      0.00000
     10      11.1854      0.00000
     11      12.1882      0.00000
     12      13.4741      0.00000

 k-point   465 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.5446      2.00000
      2       0.9250      2.00000
      3       2.2038      2.00000
      4       3.9737      2.00000
      5       4.6925      2.00000
      6       7.0108      0.00111
      7       8.2255      0.00000
      8       9.9084      0.00000
      9      10.4767      0.00000
     10      12.0395      0.00000
     11      12.6986      0.00000
     12      13.3898      0.00000

 k-point   466 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.1372      2.00000
      2       1.1739      2.00000
      3       1.4651      2.00000
      4       3.4271      2.00000
      5       4.9793      1.99999
      6       7.1794      0.00021
      7       7.5359      0.00001
      8       9.6976      0.00000
      9      10.5043      0.00000
     10      12.5141      0.00000
     11      12.9058      0.00000
     12      13.7622      0.00000

 k-point   467 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.7029      2.00000
      2       0.6263      2.00000
      3       1.5779      2.00000
      4       3.0915      2.00000
      5       5.3537      1.99977
      6       6.7122      0.02183
      7       7.5527      0.00000
      8       9.4521      0.00000
      9      10.8515      0.00000
     10      12.1082      0.00000
     11      12.9399      0.00000
     12      14.2379      0.00000

 k-point   468 :      -0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.5658      2.00000
      2       0.4003      2.00000
      3       1.5247      2.00000
      4       3.2521      2.00000
      5       5.4866      1.99914
      6       6.4958      0.17534
      7       7.5253      0.00001
      8       9.5965      0.00000
      9      10.9985      0.00000
     10      11.8750      0.00000
     11      12.9224      0.00000
     12      14.4679      0.00000

 k-point   469 :      -0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.9523      2.00000
      2       0.6824      2.00000
      3       1.4629      2.00000
      4       3.7785      2.00000
      5       5.1979      1.99995
      6       6.7179      0.02065
      7       7.5300      0.00001
      8      10.0440      0.00000
      9      10.7472      0.00000
     10      12.0452      0.00000
     11      12.8933      0.00000
     12      14.1857      0.00000

 k-point   470 :      -0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.3896      2.00000
      2       0.6091      2.00000
      3       1.9876      2.00000
      4       4.2974      2.00000
      5       5.0269      1.99999
      6       6.6953      0.02582
      7       8.0200      0.00000
      8      10.1717      0.00000
      9      10.9325      0.00000
     10      11.8960      0.00000
     11      12.9789      0.00000
     12      13.2126      0.00000

 k-point   471 :      -0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.7542      2.00000
      2       0.3911      2.00000
      3       2.8263      2.00000
      4       4.2584      2.00000
      5       5.5364      1.99858
      6       6.5855      0.07543
      7       8.8132      0.00000
      8       9.8867      0.00000
      9      11.1233      0.00000
     10      11.6123      0.00000
     11      11.8471      0.00000
     12      13.4508      0.00000

 k-point   472 :      -0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       0.2163      2.00000
      3       3.7203      2.00000
      4       4.1296      2.00000
      5       6.0055      1.85652
      6       6.8429      0.00596
      7       9.5548      0.00000
      8       9.7461      0.00000
      9       9.8182      0.00000
     10      10.9119      0.00000
     11      12.3542      0.00000
     12      13.0248      0.00000

 k-point   473 :      -0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.1972      2.00000
      2       0.1190      2.00000
      3       3.8569      2.00000
      4       4.8667      2.00000
      5       6.0234      1.83088
      6       7.5831      0.00000
      7       8.4744      0.00000
      8       9.2335      0.00000
      9      10.2147      0.00000
     10      10.7521      0.00000
     11      12.3537      0.00000
     12      13.3004      0.00000

 k-point   474 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0162      2.00000
      2       0.3163      2.00000
      3       2.8098      2.00000
      4       5.0235      1.99999
      5       5.9340      1.92720
      6       7.6839      0.00000
      7       8.2149      0.00000
      8       9.8481      0.00000
      9      10.5581      0.00000
     10      11.1597      0.00000
     11      12.1458      0.00000
     12      12.8805      0.00000

 k-point   475 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9849      2.00000
      2       0.3965      2.00000
      3       2.8410      2.00000
      4       4.9731      1.99999
      5       5.6309      1.99636
      6       7.1929      0.00018
      7       8.3803      0.00000
      8      10.1237      0.00000
      9      10.4975      0.00000
     10      11.4367      0.00000
     11      12.0353      0.00000
     12      12.6155      0.00000

 k-point   476 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.8522      2.00000
      2       0.5683      2.00000
      3       2.9554      2.00000
      4       4.3586      2.00000
      5       5.2602      1.99991
      6       6.4404      0.28667
      7       9.1325      0.00000
      8       9.5125      0.00000
      9      10.8248      0.00000
     10      11.2301      0.00000
     11      12.4099      0.00000
     12      13.3559      0.00000

 k-point   477 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.6202      2.00000
      2       0.8269      2.00000
      3       3.0949      2.00000
      4       3.4503      2.00000
      5       4.9366      2.00000
      6       6.0283      1.82316
      7       8.1559      0.00000
      8      10.1989      0.00000
      9      10.8570      0.00000
     10      11.4063      0.00000
     11      13.2627      0.00000
     12      13.7086      0.00000

 k-point   478 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.2935      2.00000
      2       1.1574      2.00000
      3       2.4204      2.00000
      4       3.4320      2.00000
      5       4.3566      2.00000
      6       6.0703      1.74269
      7       7.2664      0.00009
      8       9.5561      0.00000
      9      11.4841      0.00000
     10      12.5492      0.00000
     11      13.7552      0.00000
     12      14.0018      0.00000

 k-point   479 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.8846      2.00000
      2       1.4358      2.00000
      3       1.6826      2.00000
      4       3.4260      2.00000
      5       4.0930      2.00000
      6       6.1412      1.53830
      7       6.5948      0.06899
      8       9.0448      0.00000
      9      11.8940      0.00000
     10      13.7621      0.00000
     11      14.1436      0.00000
     12      14.1806      0.00000

 k-point   480 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.4460      2.00000
      2       0.8684      2.00000
      3       1.8351      2.00000
      4       3.1702      2.00000
      5       4.3426      2.00000
      6       5.7391      1.98930
      7       6.5286      0.12955
      8       8.7995      0.00000
      9      12.3020      0.00000
     10      13.4836      0.00000
     11      14.3461      0.00000
     12      14.5226      0.00000

 k-point   481 :      -0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.3057      2.00000
      2       0.6436      2.00000
      3       1.7631      2.00000
      4       3.3361      2.00000
      5       4.4656      2.00000
      6       5.5216      1.99878
      7       6.5518      0.10409
      8       8.9140      0.00000
      9      12.4654      0.00000
     10      13.2558      0.00000
     11      14.3053      0.00000
     12      14.7095      0.00000

 k-point   482 :      -0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.6972      2.00000
      2       0.9411      2.00000
      3       1.6642      2.00000
      4       3.6962      2.00000
      5       4.3869      2.00000
      6       5.6833      1.99386
      7       6.6657      0.03453
      8       9.3501      0.00000
      9      12.1375      0.00000
     10      13.4277      0.00000
     11      14.1886      0.00000
     12      14.4251      0.00000

 k-point   483 :      -0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.1363      2.00000
      2       0.8474      2.00000
      3       2.1846      2.00000
      4       3.5818      2.00000
      5       4.8161      2.00000
      6       5.7822      1.98357
      7       7.1513      0.00027
      8       9.9956      0.00000
      9      11.7388      0.00000
     10      12.9499      0.00000
     11      13.4050      0.00000
     12      14.3381      0.00000

 k-point   484 :      -0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.5017      2.00000
      2       0.6137      2.00000
      3       2.9372      2.00000
      4       3.3930      2.00000
      5       5.1893      1.99996
      6       6.1395      1.54425
      7       7.9124      0.00000
      8      10.7423      0.00000
      9      11.3358      0.00000
     10      11.6212      0.00000
     11      12.5494      0.00000
     12      14.0061      0.00000

 k-point   485 :      -0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7733      2.00000
      2       0.4305      2.00000
      3       2.9949      2.00000
      4       4.0494      2.00000
      5       5.2168      1.99994
      6       6.9604      0.00184
      7       8.8059      0.00000
      8      10.0541      0.00000
      9      10.9124      0.00000
     10      11.4294      0.00000
     11      11.9406      0.00000
     12      13.6121      0.00000

 k-point   486 :      -0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9455      2.00000
      2       0.3285      2.00000
      3       2.8652      2.00000
      4       4.8614      2.00000
      5       5.3452      1.99979
      6       7.8340      0.00000
      7       8.7364      0.00000
      8       9.7100      0.00000
      9      10.1881      0.00000
     10      11.1980      0.00000
     11      12.6031      0.00000
     12      13.1083      0.00000

 k-point   487 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6714      2.00000
      2       0.5760      2.00000
      3       1.9120      2.00000
      4       4.2056      2.00000
      5       6.2664      0.97592
      6       8.0167      0.00000
      7       8.5197      0.00000
      8       9.6139      0.00000
      9      10.2748      0.00000
     10      11.4150      0.00000
     11      12.0770      0.00000
     12      12.5181      0.00000

 k-point   488 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6407      2.00000
      2       0.6560      2.00000
      3       1.9468      2.00000
      4       4.2381      2.00000
      5       5.8868      1.95396
      6       7.4879      0.00001
      7       8.6658      0.00000
      8       9.2244      0.00000
      9      11.0968      0.00000
     10      11.1599      0.00000
     11      12.1084      0.00000
     12      12.6752      0.00000

 k-point   489 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5083      2.00000
      2       0.8330      2.00000
      3       2.0684      2.00000
      4       4.2147      2.00000
      5       4.9938      1.99999
      6       6.5862      0.07495
      7       8.2434      0.00000
      8       9.7414      0.00000
      9      10.4685      0.00000
     10      12.2034      0.00000
     11      12.8972      0.00000
     12      13.2194      0.00000

 k-point   490 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.2761      2.00000
      2       1.1036      2.00000
      3       2.2669      2.00000
      4       3.6579      2.00000
      5       4.6064      2.00000
      6       5.7544      1.98753
      7       7.2734      0.00008
      8       9.5234      0.00000
      9      11.3293      0.00000
     10      12.7149      0.00000
     11      13.8892      0.00000
     12      14.0738      0.00000

 k-point   491 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.9484      2.00000
      2       1.4577      2.00000
      3       2.4657      2.00000
      4       2.8511      2.00000
      5       4.3630      2.00000
      6       5.2802      1.99989
      7       6.4005      0.39920
      8       8.9035      0.00000
      9      12.7197      0.00000
     10      13.1611      0.00000
     11      14.3286      0.00000
     12      14.9286      0.00000

 k-point   492 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.5367      2.00000
      2       1.8009      2.00000
      3       1.9537      2.00000
      4       2.9065      2.00000
      5       3.8488      2.00000
      6       5.1830      1.99996
      7       5.7372      1.98949
      8       8.4418      0.00000
      9      13.3907      0.00000
     10      14.2527      0.00000
     11      14.8590      0.00000
     12      15.2985      0.00000

 k-point   493 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.0907      2.00000
      2       1.1969      2.00000
      3       2.1920      2.00000
      4       3.1523      2.00000
      5       3.5090      2.00000
      6       4.8673      2.00000
      7       5.5837      1.99773
      8       8.2269      0.00000
      9      13.8248      0.00000
     10      14.6990      0.00000
     11      15.0651      0.00000
     12      15.7623      0.00000

 k-point   494 :      -0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1       0.0554      2.00000
      2       0.9745      2.00000
      3       2.0854      2.00000
      4       3.3101      2.00000
      5       3.6256      2.00000
      6       4.6594      2.00000
      7       5.6615      1.99506
      8       8.3187      0.00000
      9      14.0133      0.00000
     10      14.6473      0.00000
     11      15.0478      0.00000
     12      15.7293      0.00000

 k-point   495 :      -0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.3448      2.00000
      2       1.2998      2.00000
      3       1.9158      2.00000
      4       3.0684      2.00000
      5       4.2188      2.00000
      6       4.7321      2.00000
      7       5.9058      1.94459
      8       8.6989      0.00000
      9      13.6676      0.00000
     10      14.6494      0.00000
     11      14.8293      0.00000
     12      15.4565      0.00000

 k-point   496 :      -0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.7873      2.00000
      2       1.1661      2.00000
      3       2.3506      2.00000
      4       2.8247      2.00000
      5       4.5374      2.00000
      6       5.2195      1.99994
      7       6.4319      0.30795
      8       9.2948      0.00000
      9      13.2152      0.00000
     10      13.4664      0.00000
     11      14.2341      0.00000
     12      14.9810      0.00000

 k-point   497 :      -0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.1543      2.00000
      2       0.9040      2.00000
      3       2.3189      2.00000
      4       3.3733      2.00000
      5       4.5130      2.00000
      6       6.1240      1.59675
      7       7.1709      0.00022
      8      10.0331      0.00000
      9      11.9051      0.00000
     10      12.7651      0.00000
     11      13.2555      0.00000
     12      14.5559      0.00000

 k-point   498 :      -0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.4270      2.00000
      2       0.7046      2.00000
      3       2.1078      2.00000
      4       4.0599      2.00000
      5       4.6882      2.00000
      6       7.1339      0.00033
      7       8.0271      0.00000
      8      10.3645      0.00000
      9      10.9130      0.00000
     10      11.7427      0.00000
     11      12.8027      0.00000
     12      13.5635      0.00000

 k-point   499 :      -0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6001      2.00000
      2       0.5929      2.00000
      3       1.9665      2.00000
      4       4.1886      2.00000
      5       5.5112      1.99890
      6       8.1129      0.00000
      7       8.9002      0.00000
      8       9.0800      0.00000
      9      10.5925      0.00000
     10      11.7582      0.00000
     11      12.3389      0.00000
     12      12.5984      0.00000

 k-point   500 :      -0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.5104      2.00000
      2       1.3695      2.00000
      3       2.4553      2.00000
      4       2.6190      2.00000
      5       3.4098      2.00000
      6       4.0629      2.00000
      7       4.8975      2.00000
      8       7.8767      0.00000
      9      15.3900      0.00000
     10      15.6104      0.00000
     11      15.8906      0.00000
     12      16.8115      0.00000

 k-point   501 :      -0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.0931      2.00000
      2       1.7499      2.00000
      3       2.0343      2.00000
      4       2.4612      2.00000
      5       3.8839      2.00000
      6       4.2353      2.00000
      7       5.3431      1.99979
      8       8.2054      0.00000
      9      15.1420      0.00000
     10      15.1840      0.00000
     11      15.6251      0.00000
     12      16.1634      0.00000

 k-point   502 :      -0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.3564      2.00000
      2       1.4824      2.00000
      3       1.8885      2.00000
      4       2.8678      2.00000
      5       3.8968      2.00000
      6       5.0073      1.99999
      7       6.0234      1.83079
      8       8.7414      0.00000
      9      13.8494      0.00000
     10      14.6287      0.00000
     11      14.8553      0.00000
     12      15.4898      0.00000

 k-point   503 :      -0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7273      2.00000
      2       1.1456      2.00000
      3       1.6401      2.00000
      4       3.4605      2.00000
      5       4.0668      2.00000
      6       5.9331      1.92782
      7       6.8572      0.00517
      8       9.4272      0.00000
      9      12.3279      0.00000
     10      13.4017      0.00000
     11      14.2490      0.00000
     12      14.4513      0.00000

 k-point   504 :      -0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0026      2.00000
      2       0.9001      2.00000
      3       1.4406      2.00000
      4       3.5385      2.00000
      5       4.8817      2.00000
      6       6.9406      0.00225
      7       7.7777      0.00000
      8      10.1726      0.00000
      9      10.8811      0.00000
     10      12.0752      0.00000
     11      12.8910      0.00000
     12      14.1528      0.00000

 k-point   505 :      -0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1776      2.00000
      2       0.7546      2.00000
      3       1.3220      2.00000
      4       3.5143      2.00000
      5       5.8815      1.95625
      6       7.9775      0.00000
      7       8.6426      0.00000
      8       9.4902      0.00000
      9      10.7522      0.00000
     10      11.0930      0.00000
     11      11.6487      0.00000
     12      13.8146      0.00000

 k-point   506 :      -0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       1.0143      2.00000
      2       1.7308      2.00000
      3       1.9124      2.00000
      4       2.8102      2.00000
      5       3.0559      2.00000
      6       3.9220      2.00000
      7       4.3668      2.00000
      8       7.6384      0.00000
      9      15.8713      0.00000
     10      16.4473      0.00000
     11      16.5834      0.00000
     12      16.9637      0.00000

 k-point   507 :      -0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.5524      2.00000
      2       1.5443      2.00000
      3       2.2379      2.00000
      4       2.5327      2.00000
      5       3.1960      2.00000
      6       4.1770      2.00000
      7       5.0825      1.99998
      8       7.9335      0.00000
      9      15.6217      0.00000
     10      16.0121      0.00000
     11      16.0921      0.00000
     12      16.3087      0.00000

 k-point   508 :      -0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.0841      2.00000
      2       1.1404      2.00000
      3       1.9746      2.00000
      4       3.0912      2.00000
      5       3.3835      2.00000
      6       4.7594      2.00000
      7       5.9449      1.91915
      8       8.4240      0.00000
      9      14.2995      0.00000
     10      14.9378      0.00000
     11      15.2196      0.00000
     12      15.4557      0.00000

 k-point   509 :      -0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.2974      2.00000
      2       0.7974      2.00000
      3       1.6735      2.00000
      4       3.1536      2.00000
      5       4.1941      2.00000
      6       5.5679      1.99806
      7       6.9068      0.00315
      8       9.0607      0.00000
      9      12.7622      0.00000
     10      13.5336      0.00000
     11      13.8301      0.00000
     12      15.0372      0.00000

 k-point   510 :      -0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5800      2.00000
      2       0.5426      2.00000
      3       1.4624      2.00000
      4       3.1015      2.00000
      5       5.1958      1.99995
      6       6.4967      0.17389
      7       7.9355      0.00000
      8       9.7770      0.00000
      9      11.2812      0.00000
     10      12.1129      0.00000
     11      12.4616      0.00000
     12      14.5588      0.00000

 k-point   511 :      -0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7602      2.00000
      2       0.3837      2.00000
      3       1.3498      2.00000
      4       3.0659      2.00000
      5       6.2496      1.05956
      6       7.4660      0.00001
      7       8.9065      0.00000
      8       9.9186      0.00000
      9      10.4566      0.00000
     10      10.8013      0.00000
     11      11.2736      0.00000
     12      13.7219      0.00000

 k-point   512 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.1199      2.00000
      2      -0.6101      2.00000
      3       5.9128      1.94065
      4       5.9444      1.91950
      5       6.8451      0.00583
      6       7.0416      0.00082
      7       7.4192      0.00002
      8       7.5356      0.00001
      9       8.2508      0.00000
     10      11.3127      0.00000
     11      14.0354      0.00000
     12      14.5039      0.00000

 k-point   513 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0794      2.00000
      2      -0.5501      2.00000
      3       5.3310      1.99982
      4       5.9759      1.89135
      5       6.2186      1.21172
      6       7.1130      0.00040
      7       7.5456      0.00001
      8       7.9226      0.00000
      9       8.9718      0.00000
     10      11.5461      0.00000
     11      13.1689      0.00000
     12      14.2220      0.00000

 k-point   514 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9353      2.00000
      2      -0.4048      2.00000
      3       4.2563      2.00000
      4       5.3075      1.99986
      5       6.1036      1.65837
      6       7.2832      0.00007
      7       7.7335      0.00000
      8       8.8964      0.00000
      9       9.8802      0.00000
     10      12.0503      0.00000
     11      12.1984      0.00000
     12      13.3270      0.00000

 k-point   515 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6894      2.00000
      2      -0.1798      2.00000
      3       3.2083      2.00000
      4       4.4294      2.00000
      5       6.3269      0.68442
      6       7.5486      0.00001
      7       7.9923      0.00000
      8       9.5245      0.00000
      9      11.0237      0.00000
     10      11.0802      0.00000
     11      12.2686      0.00000
     12      12.5604      0.00000

 k-point   516 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.3451      2.00000
      2       0.1109      2.00000
      3       2.2408      2.00000
      4       3.6466      2.00000
      5       6.6437      0.04286
      6       7.9004      0.00000
      7       8.3362      0.00000
      8       9.8582      0.00000
      9      10.0978      0.00000
     10      11.3280      0.00000
     11      11.6891      0.00000
     12      12.5110      0.00000

 k-point   517 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.9122      2.00000
      2       0.4287      2.00000
      3       1.3735      2.00000
      4       3.0138      2.00000
      5       7.0463      0.00078
      6       8.3063      0.00000
      7       8.7576      0.00000
      8       9.2858      0.00000
      9      10.0698      0.00000
     10      10.5346      0.00000
     11      10.8899      0.00000
     12      13.3969      0.00000

 k-point   518 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.4303      2.00000
      2       0.5543      2.00000
      3       0.7632      2.00000
      4       2.6440      2.00000
      5       7.4941      0.00001
      6       8.4927      0.00000
      7       8.7749      0.00000
      8       9.2183      0.00000
      9      10.0174      0.00000
     10      10.1406      0.00000
     11      10.2610      0.00000
     12      13.3400      0.00000

 k-point   519 :      -0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.2904      2.00000
      2       0.2524      2.00000
      3       0.8716      2.00000
      4       2.7053      2.00000
      5       7.6181      0.00000
      6       8.2983      0.00000
      7       8.7306      0.00000
      8       9.3864      0.00000
      9       9.7630      0.00000
     10      10.1421      0.00000
     11      10.4504      0.00000
     12      13.3688      0.00000

 k-point   520 :      -0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.7778      2.00000
      2       0.2026      2.00000
      3       1.3328      2.00000
      4       3.1693      2.00000
      5       7.1955      0.00018
      6       8.1036      0.00000
      7       8.9032      0.00000
      8       9.1239      0.00000
      9       9.8162      0.00000
     10      10.7803      0.00000
     11      10.9363      0.00000
     12      13.5121      0.00000

 k-point   521 :      -0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.2434      2.00000
      2      -0.0413      2.00000
      3       2.1104      2.00000
      4       3.8643      2.00000
      5       6.7699      0.01232
      6       7.7344      0.00000
      7       8.4540      0.00000
      8       9.6957      0.00000
      9       9.8929      0.00000
     10      11.6232      0.00000
     11      11.6245      0.00000
     12      12.8026      0.00000

 k-point   522 :      -0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6162      2.00000
      2      -0.2862      2.00000
      3       3.0250      2.00000
      4       4.6933      2.00000
      5       6.4241      0.32901
      6       7.4216      0.00002
      7       8.0988      0.00000
      8       9.4270      0.00000
      9      10.7971      0.00000
     10      11.2463      0.00000
     11      12.3770      0.00000
     12      12.5954      0.00000

 k-point   523 :      -0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.8879      2.00000
      2      -0.4733      2.00000
      3       4.0314      2.00000
      4       5.6023      1.99726
      5       6.1694      1.43069
      6       7.1974      0.00017
      7       7.8440      0.00000
      8       8.9663      0.00000
      9       9.7917      0.00000
     10      11.8093      0.00000
     11      11.9722      0.00000
     12      13.2770      0.00000

 k-point   524 :      -0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0561      2.00000
      2      -0.5837      2.00000
      3       5.0855      1.99998
      4       6.0091      1.85169
      5       6.5017      0.16621
      6       7.0698      0.00062
      7       7.6621      0.00000
      8       8.2801      0.00000
      9       8.5239      0.00000
     10      11.4542      0.00000
     11      12.9192      0.00000
     12      13.9737      0.00000

 k-point   525 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0674      2.00000
      2      -0.5674      2.00000
      3       5.2452      1.99992
      4       5.9613      1.90538
      5       6.3438      0.61061
      6       6.8996      0.00338
      7       7.8067      0.00000
      8       8.1325      0.00000
      9       8.7370      0.00000
     10      11.4771      0.00000
     11      13.0518      0.00000
     12      13.9843      0.00000

 k-point   526 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0270      2.00000
      2      -0.5072      2.00000
      3       5.2710      1.99990
      4       5.3923      1.99966
      5       6.0676      1.74875
      6       6.7541      0.01442
      7       8.1628      0.00000
      8       8.3285      0.00000
      9       9.3126      0.00000
     10      11.6607      0.00000
     11      12.4157      0.00000
     12      13.7975      0.00000

 k-point   527 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8830      2.00000
      2      -0.3612      2.00000
      3       4.3060      2.00000
      4       5.2406      1.99993
      5       5.4706      1.99927
      6       6.8444      0.00587
      7       8.4975      0.00000
      8       9.2636      0.00000
      9      10.1020      0.00000
     10      11.3628      0.00000
     11      12.1024      0.00000
     12      13.0168      0.00000

 k-point   528 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.6372      2.00000
      2      -0.1350      2.00000
      3       3.2591      2.00000
      4       4.4328      2.00000
      5       5.6656      1.99485
      6       7.0641      0.00065
      7       8.7546      0.00000
      8      10.0575      0.00000
      9      10.3551      0.00000
     10      11.1113      0.00000
     11      11.8084      0.00000
     12      13.3487      0.00000

 k-point   529 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2932      2.00000
      2       0.1576      2.00000
      3       2.2921      2.00000
      4       3.6641      2.00000
      5       5.9859      1.88060
      6       7.3666      0.00003
      7       9.0788      0.00000
      8       9.4379      0.00000
      9      10.3568      0.00000
     10      11.0457      0.00000
     11      12.4234      0.00000
     12      12.6225      0.00000

 k-point   530 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.8603      2.00000
      2       0.4780      2.00000
      3       1.4252      2.00000
      4       3.0349      2.00000
      5       6.3922      0.42614
      6       7.7043      0.00000
      7       8.6032      0.00000
      8       9.4888      0.00000
      9      10.1145      0.00000
     10      10.8907      0.00000
     11      11.6465      0.00000
     12      13.7813      0.00000

 k-point   531 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.3784      2.00000
      2       0.6057      2.00000
      3       0.8158      2.00000
      4       2.6645      2.00000
      5       6.8427      0.00597
      6       7.8265      0.00000
      7       8.0637      0.00000
      8       9.6854      0.00000
      9      10.0120      0.00000
     10      10.9043      0.00000
     11      11.0557      0.00000
     12      13.7196      0.00000

 k-point   532 :      -0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.2383      2.00000
      2       0.3046      2.00000
      3       0.9221      2.00000
      4       2.7267      2.00000
      5       6.9698      0.00168
      6       7.5829      0.00000
      7       8.1094      0.00000
      8       9.7857      0.00000
      9      10.1378      0.00000
     10      10.5634      0.00000
     11      11.2250      0.00000
     12      13.7551      0.00000

 k-point   533 :      -0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.7255      2.00000
      2       0.2522      2.00000
      3       1.3815      2.00000
      4       3.1917      2.00000
      5       6.5337      0.12349
      6       7.4940      0.00001
      7       8.5113      0.00000
      8       9.6514      0.00000
      9      10.2153      0.00000
     10      10.7035      0.00000
     11      11.6820      0.00000
     12      13.9427      0.00000

 k-point   534 :      -0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.1909      2.00000
      2       0.0052      2.00000
      3       2.1587      2.00000
      4       3.8814      2.00000
      5       6.1048      1.65503
      6       7.2105      0.00015
      7       9.1977      0.00000
      8       9.2717      0.00000
      9      10.2833      0.00000
     10      11.2143      0.00000
     11      12.3391      0.00000
     12      12.8608      0.00000

 k-point   535 :      -0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.5636      2.00000
      2      -0.2416      2.00000
      3       3.0721      2.00000
      4       4.6867      2.00000
      5       5.7698      1.98547
      6       6.9485      0.00208
      7       8.8687      0.00000
      8       9.9199      0.00000
      9      10.2153      0.00000
     10      11.3056      0.00000
     11      11.9747      0.00000
     12      12.9949      0.00000

 k-point   536 :      -0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8353      2.00000
      2      -0.4299      2.00000
      3       4.0759      2.00000
      4       5.3570      1.99976
      5       5.7153      1.99155
      6       6.7766      0.01152
      7       8.6089      0.00000
      8       9.4741      0.00000
      9       9.8443      0.00000
     10      11.1175      0.00000
     11      12.0464      0.00000
     12      13.2059      0.00000

 k-point   537 :      -0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0035      2.00000
      2      -0.5409      2.00000
      3       5.1198      1.99998
      4       5.3055      1.99986
      5       6.2779      0.91866
      6       6.8557      0.00524
      7       8.2963      0.00000
      8       8.6566      0.00000
      9       8.8178      0.00000
     10      11.5592      0.00000
     11      12.2356      0.00000
     12      14.0667      0.00000

 k-point   538 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.9101      2.00000
      2      -0.4411      2.00000
      3       4.1787      2.00000
      4       5.4025      1.99963
      5       6.1129      1.63125
      6       7.0490      0.00076
      7       8.0165      0.00000
      8       9.0041      0.00000
      9       9.8459      0.00000
     10      11.8657      0.00000
     11      12.0893      0.00000
     12      13.0429      0.00000

 k-point   539 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8700      2.00000
      2      -0.3800      2.00000
      3       4.2172      2.00000
      4       5.3587      1.99976
      5       5.5466      1.99843
      6       6.6922      0.02660
      7       8.4418      0.00000
      8       9.4777      0.00000
      9      10.1152      0.00000
     10      11.3572      0.00000
     11      11.9777      0.00000
     12      12.9444      0.00000

 k-point   540 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7265      2.00000
      2      -0.2319      2.00000
      3       4.3363      2.00000
      4       4.4663      2.00000
      5       5.1003      1.99998
      6       6.2929      0.84462
      7       9.5996      0.00000
      8       9.8139      0.00000
      9      10.3364      0.00000
     10      10.8445      0.00000
     11      11.5719      0.00000
     12      12.9995      0.00000

 k-point   541 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4812      2.00000
      2      -0.0020      2.00000
      3       3.4108      2.00000
      4       4.3617      2.00000
      5       4.6782      2.00000
      6       6.2767      0.92467
      7       9.3022      0.00000
      8      10.0671      0.00000
      9      10.7494      0.00000
     10      10.9298      0.00000
     11      11.7229      0.00000
     12      13.7498      0.00000

 k-point   542 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.1377      2.00000
      2       0.2964      2.00000
      3       2.4457      2.00000
      4       3.7043      2.00000
      5       4.9472      2.00000
      6       6.4657      0.22986
      7       8.3804      0.00000
      8       9.9991      0.00000
      9      10.4646      0.00000
     10      11.7485      0.00000
     11      12.8085      0.00000
     12      13.7133      0.00000

 k-point   543 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.7053      2.00000
      2       0.6252      2.00000
      3       1.5802      2.00000
      4       3.0938      2.00000
      5       5.3512      1.99978
      6       6.7125      0.02178
      7       7.5541      0.00000
      8       9.4541      0.00000
      9      10.8491      0.00000
     10      12.1097      0.00000
     11      12.9413      0.00000
     12      14.2742      0.00000

 k-point   544 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.2232      2.00000
      2       0.7594      2.00000
      3       0.9736      2.00000
      4       2.7232      2.00000
      5       5.8002      1.98037
      6       6.7812      0.01101
      7       6.9895      0.00138
      8       9.1370      0.00000
      9      11.2933      0.00000
     10      12.2062      0.00000
     11      12.3769      0.00000
     12      14.6299      0.00000

 k-point   545 :      -0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.0820      2.00000
      2       0.4608      2.00000
      3       1.0726      2.00000
      4       2.7883      2.00000
      5       5.9258      1.93272
      6       6.5088      0.15562
      7       7.0923      0.00049
      8       9.1918      0.00000
      9      11.4436      0.00000
     10      11.8893      0.00000
     11      12.5063      0.00000
     12      14.6762      0.00000

 k-point   546 :      -0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.5688      2.00000
      2       0.4001      2.00000
      3       1.5269      2.00000
      4       3.2542      2.00000
      5       5.4835      1.99917
      6       6.4969      0.17356
      7       7.5266      0.00001
      8       9.5985      0.00000
      9      10.9950      0.00000
     10      11.8777      0.00000
     11      12.9237      0.00000
     12      14.4994      0.00000

 k-point   547 :      -0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.0337      2.00000
      2       0.1434      2.00000
      3       2.3022      2.00000
      4       3.9159      2.00000
      5       5.0610      1.99999
      6       6.3256      0.69058
      7       8.2651      0.00000
      8      10.2001      0.00000
      9      10.5905      0.00000
     10      11.6218      0.00000
     11      12.9813      0.00000
     12      13.5906      0.00000

 k-point   548 :      -0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4062      2.00000
      2      -0.1094      2.00000
      3       3.2109      2.00000
      4       4.4947      2.00000
      5       4.8762      2.00000
      6       6.2030      1.28500
      7       9.1382      0.00000
      8      10.1866      0.00000
      9      10.9066      0.00000
     10      11.2377      0.00000
     11      11.4685      0.00000
     12      13.4989      0.00000

 k-point   549 :      -0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.6778      2.00000
      2      -0.3013      2.00000
      3       4.1938      2.00000
      4       4.3902      2.00000
      5       5.3127      1.99985
      6       6.3709      0.50211
      7       9.8169      0.00000
      8      10.0579      0.00000
      9      10.1505      0.00000
     10      10.3618      0.00000
     11      11.7808      0.00000
     12      12.9473      0.00000

 k-point   550 :      -0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8460      2.00000
      2      -0.4141      2.00000
      3       4.2339      2.00000
      4       5.1636      1.99997
      5       5.5457      1.99844
      6       6.9591      0.00187
      7       8.6497      0.00000
      8       9.4365      0.00000
      9       9.8699      0.00000
     10      11.1097      0.00000
     11      12.0790      0.00000
     12      13.1429      0.00000

 k-point   551 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6493      2.00000
      2      -0.2371      2.00000
      3       3.1421      2.00000
      4       4.5140      2.00000
      5       6.3511      0.58008
      6       7.2941      0.00007
      7       8.2786      0.00000
      8       9.5295      0.00000
      9      10.9177      0.00000
     10      11.2588      0.00000
     11      12.0604      0.00000
     12      12.7398      0.00000

 k-point   552 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6098      2.00000
      2      -0.1745      2.00000
      3       3.1826      2.00000
      4       4.5290      2.00000
      5       5.7823      1.98356
      6       6.8741      0.00436
      7       8.7048      0.00000
      8      10.2320      0.00000
      9      10.3507      0.00000
     10      11.3242      0.00000
     11      11.6998      0.00000
     12      12.9161      0.00000

 k-point   553 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4671      2.00000
      2      -0.0225      2.00000
      3       3.3191      2.00000
      4       4.4967      2.00000
      5       4.7307      2.00000
      6       6.1711      1.42376
      7       9.3001      0.00000
      8       9.8916      0.00000
      9      10.8345      0.00000
     10      11.1426      0.00000
     11      11.7653      0.00000
     12      13.5369      0.00000

 k-point   554 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2228      2.00000
      2       0.2142      2.00000
      3       3.5386      2.00000
      4       3.6649      2.00000
      5       4.3148      2.00000
      6       5.6870      1.99362
      7       8.2962      0.00000
      8       9.9969      0.00000
      9      11.3087      0.00000
     10      11.5955      0.00000
     11      12.5993      0.00000
     12      14.1792      0.00000

 k-point   555 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.8802      2.00000
      2       0.5229      2.00000
      3       2.7002      2.00000
      4       3.6584      2.00000
      5       4.0099      2.00000
      6       5.6154      1.99688
      7       7.3641      0.00003
      8       9.3229      0.00000
      9      11.8818      0.00000
     10      12.7714      0.00000
     11      13.3289      0.00000
     12      15.0537      0.00000

 k-point   556 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.4484      2.00000
      2       0.8671      2.00000
      3       1.8373      2.00000
      4       3.1725      2.00000
      5       4.3401      2.00000
      6       5.7397      1.98923
      7       6.5301      0.12770
      8       8.8014      0.00000
      9      12.2997      0.00000
     10      13.4862      0.00000
     11      14.3488      0.00000
     12      14.5565      0.00000

 k-point   557 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.0343      2.00000
      2       1.0140      2.00000
      3       1.2359      2.00000
      4       2.8106      2.00000
      5       4.7790      2.00000
      6       5.7608      1.98671
      7       5.9494      1.91559
      8       8.5227      0.00000
      9      12.7503      0.00000
     10      13.6443      0.00000
     11      13.8136      0.00000
     12      15.7958      0.00000

 k-point   558 :      -0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.1774      2.00000
      2       0.7199      2.00000
      3       1.3208      2.00000
      4       2.8819      2.00000
      5       4.9001      2.00000
      6       5.4719      1.99926
      7       6.0887      1.69843
      8       8.5635      0.00000
      9      12.9078      0.00000
     10      13.3340      0.00000
     11      13.9227      0.00000
     12      15.8509      0.00000

 k-point   559 :      -0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.3086      2.00000
      2       0.6433      2.00000
      3       1.7653      2.00000
      4       3.3381      2.00000
      5       4.4625      2.00000
      6       5.5232      1.99876
      7       6.5531      0.10278
      8       8.9158      0.00000
      9      12.4617      0.00000
     10      13.2592      0.00000
     11      14.3071      0.00000
     12      14.7407      0.00000

 k-point   560 :      -0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.7729      2.00000
      2       0.3688      2.00000
      3       2.5361      2.00000
      4       3.8046      2.00000
      5       4.1631      2.00000
      6       5.5108      1.99890
      7       7.2925      0.00007
      8       9.4978      0.00000
      9      12.0359      0.00000
     10      12.8447      0.00000
     11      13.2351      0.00000
     12      14.8762      0.00000

 k-point   561 :      -0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.1450      2.00000
      2       0.1053      2.00000
      3       3.4186      2.00000
      4       3.6119      2.00000
      5       4.4904      2.00000
      6       5.7372      1.98949
      7       8.1672      0.00000
      8      10.2292      0.00000
      9      11.6193      0.00000
     10      11.7619      0.00000
     11      12.1213      0.00000
     12      14.0118      0.00000

 k-point   562 :      -0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4165      2.00000
      2      -0.0930      2.00000
      3       3.3533      2.00000
      4       4.2894      2.00000
      5       4.7533      2.00000
      6       6.3929      0.42376
      7       9.1243      0.00000
      8      10.2224      0.00000
      9      10.8806      0.00000
     10      11.2103      0.00000
     11      11.5131      0.00000
     12      13.5011      0.00000

 k-point   563 :      -0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.5848      2.00000
      2      -0.2092      2.00000
      3       3.1995      2.00000
      4       4.4987      2.00000
      5       5.5783      1.99785
      6       7.1785      0.00021
      7       8.9121      0.00000
      8       9.9141      0.00000
      9      10.2203      0.00000
     10      11.2913      0.00000
     11      11.9639      0.00000
     12      13.1339      0.00000

 k-point   564 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2882      2.00000
      2       0.0300      2.00000
      3       2.1877      2.00000
      4       3.7190      2.00000
      5       6.6823      0.02934
      6       7.6290      0.00000
      7       8.6248      0.00000
      8       9.7849      0.00000
      9      10.0617      0.00000
     10      11.1478      0.00000
     11      11.9786      0.00000
     12      12.7923      0.00000

 k-point   565 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2498      2.00000
      2       0.0948      2.00000
      3       2.2302      2.00000
      4       3.7488      2.00000
      5       6.1238      1.59737
      6       7.1528      0.00027
      7       9.0124      0.00000
      8       9.4352      0.00000
      9      10.5271      0.00000
     10      10.9873      0.00000
     11      12.3758      0.00000
     12      12.8518      0.00000

 k-point   566 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1083      2.00000
      2       0.2529      2.00000
      3       2.3711      2.00000
      4       3.8035      2.00000
      5       5.0645      1.99999
      6       6.3115      0.75521
      7       8.3795      0.00000
      8       9.9134      0.00000
      9      10.4191      0.00000
     10      11.9385      0.00000
     11      13.0332      0.00000
     12      13.4869      0.00000

 k-point   567 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.8654      2.00000
      2       0.5003      2.00000
      3       2.6062      2.00000
      4       3.8146      2.00000
      5       4.0485      2.00000
      6       5.5118      1.99889
      7       7.3642      0.00003
      8       9.3158      0.00000
      9      11.7084      0.00000
     10      12.9762      0.00000
     11      13.5297      0.00000
     12      14.7222      0.00000

 k-point   568 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.5241      2.00000
      2       0.8258      2.00000
      3       2.9217      2.00000
      4       3.0510      2.00000
      5       3.7277      2.00000
      6       4.9928      1.99999
      7       6.4255      0.32511
      8       8.6942      0.00000
      9      13.1513      0.00000
     10      13.5032      0.00000
     11      14.4482      0.00000
     12      15.6861      0.00000

 k-point   569 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.0931      2.00000
      2       1.1954      2.00000
      3       2.1943      2.00000
      4       3.1531      2.00000
      5       3.5076      2.00000
      6       4.8686      2.00000
      7       5.5853      1.99769
      8       8.2286      0.00000
      9      13.8234      0.00000
     10      14.7243      0.00000
     11      15.0766      0.00000
     12      15.7656      0.00000

 k-point   570 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.3909      2.00000
      2       1.3652      2.00000
      3       1.6015      2.00000
      4       2.9063      2.00000
      5       3.8432      2.00000
      6       4.8222      2.00000
      7       4.9896      1.99999
      8       7.9869      0.00000
      9      14.2819      0.00000
     10      15.1396      0.00000
     11      15.2824      0.00000
     12      16.1651      0.00000

 k-point   571 :      -0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.5378      2.00000
      2       1.0790      2.00000
      3       1.6595      2.00000
      4       2.9916      2.00000
      5       3.9544      2.00000
      6       4.5188      2.00000
      7       5.1640      1.99997
      8       8.0184      0.00000
      9      14.4508      0.00000
     10      14.8210      0.00000
     11      15.3935      0.00000
     12      16.1710      0.00000

 k-point   572 :      -0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.0525      2.00000
      2       0.9738      2.00000
      3       2.0878      2.00000
      4       3.3101      2.00000
      5       3.6241      2.00000
      6       4.6617      2.00000
      7       5.6629      1.99499
      8       8.3203      0.00000
      9      14.0090      0.00000
     10      14.6548      0.00000
     11      15.0784      0.00000
     12      15.7317      0.00000

 k-point   573 :      -0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.4110      2.00000
      2       0.6701      2.00000
      3       2.8334      2.00000
      4       3.0175      2.00000
      5       3.8549      2.00000
      6       4.9912      1.99999
      7       6.4061      0.38140
      8       8.8410      0.00000
      9      13.5434      0.00000
     10      13.5902      0.00000
     11      14.0157      0.00000
     12      15.4899      0.00000

 k-point   574 :      -0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.7827      2.00000
      2       0.3894      2.00000
      3       2.6564      2.00000
      4       3.5964      2.00000
      5       4.0740      2.00000
      6       5.6889      1.99350
      7       7.2817      0.00007
      8       9.5170      0.00000
      9      12.0223      0.00000
     10      12.8692      0.00000
     11      13.2572      0.00000
     12      14.8864      0.00000

 k-point   575 :      -0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0542      2.00000
      2       0.1810      2.00000
      3       2.4021      2.00000
      4       3.7464      2.00000
      5       4.8758      2.00000
      6       6.5863      0.07488
      7       8.2414      0.00000
      8      10.2566      0.00000
      9      10.5697      0.00000
     10      11.6374      0.00000
     11      13.0077      0.00000
     12      13.7208      0.00000

 k-point   576 :      -0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2229      2.00000
      2       0.0593      2.00000
      3       2.2450      2.00000
      4       3.7246      2.00000
      5       5.8925      1.95129
      6       7.4733      0.00001
      7       9.1521      0.00000
      8       9.3464      0.00000
      9      10.3087      0.00000
     10      11.1933      0.00000
     11      12.4677      0.00000
     12      12.8806      0.00000

 k-point   577 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8364      2.00000
      2       0.3214      2.00000
      3       1.3396      2.00000
      4       3.0680      2.00000
      5       7.0944      0.00048
      6       8.0339      0.00000
      7       9.0434      0.00000
      8       9.1715      0.00000
      9      10.0571      0.00000
     10      10.3661      0.00000
     11      11.2020      0.00000
     12      13.5020      0.00000

 k-point   578 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8001      2.00000
      2       0.3889      2.00000
      3       1.3859      2.00000
      4       3.1008      2.00000
      5       6.5538      0.10212
      6       7.4752      0.00001
      7       8.5939      0.00000
      8       9.3852      0.00000
      9      10.1346      0.00000
     10      10.9138      0.00000
     11      11.7569      0.00000
     12      14.0123      0.00000

 k-point   579 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.6609      2.00000
      2       0.5556      2.00000
      3       1.5318      2.00000
      4       3.1739      2.00000
      5       5.5022      1.99899
      6       6.5258      0.13298
      7       7.5529      0.00000
      8       9.4197      0.00000
      9      10.7129      0.00000
     10      12.2393      0.00000
     11      12.9117      0.00000
     12      14.5441      0.00000

 k-point   580 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.4201      2.00000
      2       0.8188      2.00000
      3       1.7738      2.00000
      4       3.2724      2.00000
      5       4.4710      2.00000
      6       5.5775      1.99786
      7       6.5295      0.12844
      8       8.7854      0.00000
      9      12.1099      0.00000
     10      13.6535      0.00000
     11      14.2446      0.00000
     12      14.8056      0.00000

 k-point   581 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.0806      2.00000
      2       1.1707      2.00000
      3       2.1041      2.00000
      4       3.3284      2.00000
      5       3.5496      2.00000
      6       4.7484      2.00000
      7       5.5846      1.99771
      8       8.2194      0.00000
      9      13.6130      0.00000
     10      14.8920      0.00000
     11      15.2823      0.00000
     12      15.6261      0.00000

 k-point   582 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.3499      2.00000
      2       1.5835      2.00000
      3       2.5007      2.00000
      4       2.6431      2.00000
      5       3.3400      2.00000
      6       4.1894      2.00000
      7       4.7391      2.00000
      8       7.8041      0.00000
      9      15.0868      0.00000
     10      15.4886      0.00000
     11      16.2259      0.00000
     12      16.6055      0.00000

 k-point   583 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.8374      2.00000
      2       1.7998      2.00000
      3       2.0673      2.00000
      4       2.8713      2.00000
      5       3.1325      2.00000
      6       3.9910      2.00000
      7       4.1245      2.00000
      8       7.5921      0.00000
      9      15.8035      0.00000
     10      16.5111      0.00000
     11      16.6073      0.00000
     12      16.7075      0.00000

 k-point   584 :      -0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.9926      2.00000
      2       1.5295      2.00000
      3       2.0663      2.00000
      4       3.0159      2.00000
      5       3.1969      2.00000
      6       3.6693      2.00000
      7       4.3462      2.00000
      8       7.6171      0.00000
      9      16.0110      0.00000
     10      16.2202      0.00000
     11      16.6360      0.00000
     12      16.8286      0.00000

 k-point   585 :      -0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.5076      2.00000
      2       1.3682      2.00000
      3       2.4578      2.00000
      4       2.6160      2.00000
      5       3.4107      2.00000
      6       4.0660      2.00000
      7       4.8989      2.00000
      8       7.8782      0.00000
      9      15.4173      0.00000
     10      15.6075      0.00000
     11      15.9094      0.00000
     12      16.8354      0.00000

 k-point   586 :      -0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.0445      2.00000
      2       1.0162      2.00000
      3       2.1615      2.00000
      4       3.1030      2.00000
      5       3.5391      2.00000
      6       4.8499      2.00000
      7       5.6585      1.99520
      8       8.3410      0.00000
      9      13.9620      0.00000
     10      14.7344      0.00000
     11      15.1651      0.00000
     12      15.7581      0.00000

 k-point   587 :      -0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.3273      2.00000
      2       0.7085      2.00000
      3       1.8078      2.00000
      4       3.1913      2.00000
      5       4.2753      2.00000
      6       5.7811      1.98375
      7       6.5404      0.11591
      8       8.9558      0.00000
      9      12.4463      0.00000
     10      13.3238      0.00000
     11      14.3446      0.00000
     12      14.8383      0.00000

 k-point   588 :      -0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.5995      2.00000
      2       0.4840      2.00000
      3       1.5508      2.00000
      4       3.1277      2.00000
      5       5.2564      1.99991
      6       6.7984      0.00928
      7       7.4997      0.00001
      8       9.6531      0.00000
      9      10.9994      0.00000
     10      11.9424      0.00000
     11      12.9471      0.00000
     12      14.5876      0.00000

 k-point   589 :      -0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7695      2.00000
      2       0.3536      2.00000
      3       1.3945      2.00000
      4       3.0789      2.00000
      5       6.2941      0.83891
      6       7.7948      0.00000
      7       8.4614      0.00000
      8       9.7216      0.00000
      9      10.2270      0.00000
     10      10.7763      0.00000
     11      11.6943      0.00000
     12      13.8556      0.00000

 k-point   590 :      -0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4998      2.00000
      2       2.0173      2.00000
      3       2.3765      2.00000
      4       2.4402      2.00000
      5       2.9813      2.00000
      6       3.2763      2.00000
      7       3.6893      2.00000
      8       7.4030      0.00002
      9      16.9914      0.00000
     10      17.3953      0.00000
     11      17.4533      0.00000
     12      17.6782      0.00000

 k-point   591 :      -0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.0117      2.00000
      2       1.7284      2.00000
      3       1.9092      2.00000
      4       2.8129      2.00000
      5       3.0586      2.00000
      6       3.9238      2.00000
      7       4.3689      2.00000
      8       7.6398      0.00000
      9      15.9050      0.00000
     10      16.4781      0.00000
     11      16.6135      0.00000
     12      16.9437      0.00000

 k-point   592 :      -0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.5465      2.00000
      2       1.3005      2.00000
      3       1.4701      2.00000
      4       2.8828      2.00000
      5       3.7277      2.00000
      6       4.7545      2.00000
      7       5.2174      1.99994
      8       8.0642      0.00000
      9      14.4203      0.00000
     10      15.0457      0.00000
     11      15.2093      0.00000
     12      16.5102      0.00000

 k-point   593 :      -0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1715      2.00000
      2       0.9519      2.00000
      3       1.1229      2.00000
      4       2.8012      2.00000
      5       4.6417      2.00000
      6       5.6900      1.99343
      7       6.1725      1.41792
      8       8.6320      0.00000
      9      12.9139      0.00000
     10      13.5549      0.00000
     11      13.7313      0.00000
     12      15.7932      0.00000

 k-point   594 :      -0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1047      2.00000
      2       0.7000      2.00000
      3       0.8776      2.00000
      4       2.7235      2.00000
      5       5.6482      1.99567
      6       6.7064      0.02312
      7       7.2000      0.00017
      8       9.2773      0.00000
      9      11.4795      0.00000
     10      12.1084      0.00000
     11      12.2978      0.00000
     12      14.6177      0.00000

 k-point   595 :      -0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2796      2.00000
      2       0.5489      2.00000
      3       0.7371      2.00000
      4       2.6737      2.00000
      5       6.6992      0.02483
      6       7.7586      0.00000
      7       8.1918      0.00000
      8       9.8391      0.00000
      9      10.2278      0.00000
     10      10.7933      0.00000
     11      11.0156      0.00000
     12      13.7181      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000   0.000
  5.264  22.371  -0.000  -0.000   0.000
 -0.000  -0.000  -0.285  -0.000   0.000
 -0.000  -0.000  -0.000  -0.285   0.000
  0.000   0.000   0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.081  -0.022   0.000   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.094  -0.006
  0.000   0.000   0.000  -0.006   0.094


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.2861: real time    0.2861
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.5870: real time    0.5870
    STRESS:  cpu time    7.0817: real time    7.0878
    FORCOR:  cpu time    0.0480: real time    0.0480
    FORHAR:  cpu time    0.0132: real time    0.0132
    MIXING:  cpu time    0.0037: real time    0.0037
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.34043   -72.47731   -72.19402    -0.00000    -0.00000    -1.92081
  Hartree     1.14763     1.13021     1.12329    -0.00000    -0.00000     0.06825
  E(xc)     -27.42861   -27.42488   -27.43451     0.00001     0.00006     0.06591
  Local      -4.02155    -3.91688    -4.14696     0.00000    -0.00000     1.74613
  n-local    58.96333    58.92463    59.02870     0.06392     0.23776    -0.70734
  augment    -3.03650    -3.03556    -3.03907    -0.00000    -0.00000     0.03418
  Kinetic    46.91395    46.91925    46.88463    -0.25514    -3.54180    -0.13096
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.08459     0.00622     0.10884     0.00000     0.00000    -0.84464
  in kB       2.07615     0.15273     2.67145     0.00000     0.00000   -20.73173
  external pressure =        1.63 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000 -0.012420854
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.201341607  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.031862538     0.248727401  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-16 -.298E-16 -.187E-16   0.273E-17 -.310E-15 -.693E-16   -.719E-27 -.272E-27 -.234E-26   0.684E-16 0.686E-18 -.670E-17
   -.133E-13 -.292E-13 0.229E-13   0.800E-15 0.162E-14 -.748E-15   0.171E-26 0.191E-26 0.506E-27   -.543E-15 0.133E-17 0.228E-16
   -.123E-13 -.170E-15 -.925E-13   -.703E-15 -.128E-14 0.386E-15   -.718E-26 0.320E-29 0.804E-26   -.527E-15 0.257E-16 0.452E-16
   -.880E-15 -.516E-14 -.347E-14   -.917E-16 -.685E-16 0.291E-15   -.103E-25 0.329E-26 0.946E-28   0.586E-15 0.143E-16 0.104E-18
 -----------------------------------------------------------------------------------------------
   -.265E-13 -.345E-13 -.731E-13   0.771E-17 -.347E-16 -.140E-15   -.165E-25 0.492E-26 0.630E-26   -.415E-15 0.421E-16 0.614E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000     -0.000000
      2.01274      2.01342      0.00000         0.000000      0.000000     -0.000000
      2.11341      0.00000      2.01342        -0.000000     -0.000000      0.000000
      0.10067      2.01342      2.01342         0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.53193762 eV

  energy  without entropy=      -13.48943122  energy(sigma->0) =      -13.51068442
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.3484748E-04 0.348E-04
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.7448904E-04 0.745E-04


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0537: real time    0.0537


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   6/ 13
  Displacement:        1/  2
  Total:              11/ 26
  LATTYP: Found a simple monoclinic cell.
 ALAT       =     5.5533300148
 B/A-ratio  =     0.7251202665
 C/A-ratio  =     1.5902136040
 COS(beta)  =    -0.9437931481
  
  Lattice vectors:
  
 A1 = (  -3.8241465933,   0.0000000000,  -4.0268321403)
 A2 = (   0.0000000000,  -4.0268321403,   0.0000000000)
 A3 = (   3.6228049863,   0.0000000000,   8.0536642805)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    595 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000 -0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000 -0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000 -0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.153846  0.076923 -0.000000      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.307692  0.076923 -0.000000      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.461538  0.076923 -0.000000      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.153846  0.153846 -0.000000      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.307692  0.153846 -0.000000      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.461538  0.153846 -0.000000      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.153846  0.230769 -0.000000      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.307692  0.230769 -0.000000      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.461538  0.230769 -0.000000      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.153846  0.307692 -0.000000      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.307692  0.307692 -0.000000      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.461538  0.307692 -0.000000      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.153846  0.384615 -0.000000      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.307692  0.384615 -0.000000      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.461538  0.384615 -0.000000      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.153846  0.461538 -0.000000      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.307692  0.461538 -0.000000      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.461538  0.461538 -0.000000      4.000000
  0.000000  0.000000  0.076923      2.000000
  0.076923  0.000000  0.076923      2.000000
  0.153846  0.000000  0.076923      2.000000
  0.230769  0.000000  0.076923      2.000000
  0.307692  0.000000  0.076923      2.000000
  0.384615  0.000000  0.076923      2.000000
  0.461538  0.000000  0.076923      2.000000
 -0.461538  0.000000  0.076923      2.000000
 -0.384615  0.000000  0.076923      2.000000
 -0.307692  0.000000  0.076923      2.000000
 -0.230769  0.000000  0.076923      2.000000
 -0.153846  0.000000  0.076923      2.000000
 -0.076923  0.000000  0.076923      2.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      4.000000
  0.153846  0.076923  0.076923      4.000000
  0.230769  0.076923  0.076923      4.000000
  0.307692  0.076923  0.076923      4.000000
  0.384615  0.076923  0.076923      4.000000
  0.461538  0.076923  0.076923      4.000000
 -0.461538  0.076923  0.076923      4.000000
 -0.384615  0.076923  0.076923      4.000000
 -0.307692  0.076923  0.076923      4.000000
 -0.230769  0.076923  0.076923      4.000000
 -0.153846  0.076923  0.076923      4.000000
 -0.076923  0.076923  0.076923      4.000000
  0.000000  0.153846  0.076923      4.000000
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 -0.038218  0.076411  0.112705      4.000000
 -0.019109  0.076411  0.113660      4.000000
  0.000000  0.095513  0.114616      4.000000
  0.019109  0.095513  0.115571      4.000000
  0.038218  0.095513  0.116527      4.000000
  0.057327  0.095513  0.117482      4.000000
  0.076436  0.095513  0.118438      4.000000
  0.095545  0.095513  0.119393      4.000000
  0.114654  0.095513  0.120348      4.000000
 -0.114654  0.095513  0.108883      4.000000
 -0.095545  0.095513  0.109839      4.000000
 -0.076436  0.095513  0.110794      4.000000
 -0.057327  0.095513  0.111749      4.000000
 -0.038218  0.095513  0.112705      4.000000
 -0.019109  0.095513  0.113660      4.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.115571      4.000000
  0.038218  0.114616  0.116527      4.000000
  0.057327  0.114616  0.117482      4.000000
  0.076436  0.114616  0.118438      4.000000
  0.095545  0.114616  0.119393      4.000000
  0.114654  0.114616  0.120348      4.000000
 -0.114654  0.114616  0.108883      4.000000
 -0.095545  0.114616  0.109839      4.000000
 -0.076436  0.114616  0.110794      4.000000
 -0.057327  0.114616  0.111749      4.000000
 -0.038218  0.114616  0.112705      4.000000
 -0.019109  0.114616  0.113660      4.000000
 
    WAVPRE:  cpu time    0.7051: real time    1.2507
    FEWALD:  cpu time    0.0041: real time    0.0041
    GENKIN:  cpu time    0.1481: real time    0.1482
    ORTHCH:  cpu time    3.4960: real time    3.4963
     LOOP+:  cpu time  268.1134: real time  268.7838


--------------------------------------- Iteration     13(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0485: real time    0.0492
    SETDIJ:  cpu time    0.0032: real time    0.0032
     EDDAV:  cpu time   41.1494: real time   41.1694
       DOS:  cpu time    0.0174: real time    0.0174
    CHARGE:  cpu time    0.2871: real time    0.2871
    MIXING:  cpu time    0.0034: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time   41.5090: real time   41.5297

 eigenvalue-minimisations  : 17768
 total energy-change (2. order) :-0.2052550E-01  (-0.1733702E+00)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1066617 magnetization 

 Broyden mixing:
  rms(total) = 0.80133E-01    rms(broyden)= 0.80133E-01
  rms(prec ) = 0.22137E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.39831683
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80313584
  PAW double counting   =       429.53915643     -328.19326247
  entropy T*S    EENTRO =        -0.04290478
  eigenvalues    EBANDS =        22.55539923
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55246462 eV

  energy without entropy =      -13.50955984  energy(sigma->0) =      -13.53101223


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0483: real time    0.0488
    SETDIJ:  cpu time    0.0030: real time    0.0030
     EDDAV:  cpu time   40.5967: real time   40.6160
       DOS:  cpu time    0.0219: real time    0.0219
    CHARGE:  cpu time    0.2857: real time    0.2857
    MIXING:  cpu time    0.0050: real time    0.0050
    --------------------------------------------
      LOOP:  cpu time   40.9606: real time   40.9804

 eigenvalue-minimisations  : 16220
 total energy-change (2. order) : 0.1276619E-01  (-0.4113756E-02)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1061870 magnetization 

 Broyden mixing:
  rms(total) = 0.48252E-01    rms(broyden)= 0.48252E-01
  rms(prec ) = 0.13214E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4435
  2.4435

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.38922615
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80462169
  PAW double counting   =       427.83627166     -326.49103012
  entropy T*S    EENTRO =        -0.04271273
  eigenvalues    EBANDS =        22.56102096
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53969842 eV

  energy without entropy =      -13.49698569  energy(sigma->0) =      -13.51834206


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0504: real time    0.0511
    SETDIJ:  cpu time    0.0040: real time    0.0040
     EDDAV:  cpu time   42.4306: real time   42.4487
       DOS:  cpu time    0.0180: real time    0.0180
    CHARGE:  cpu time    0.2850: real time    0.2850
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time   42.7918: real time   42.8105

 eigenvalue-minimisations  : 17208
 total energy-change (2. order) : 0.7742126E-02  (-0.1648968E-02)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060555 magnetization 

 Broyden mixing:
  rms(total) = 0.43800E-02    rms(broyden)= 0.43800E-02
  rms(prec ) = 0.12900E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7864
  1.2373  2.3355

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.40297648
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80099475
  PAW double counting   =       428.38231627     -327.03703444
  entropy T*S    EENTRO =        -0.04248034
  eigenvalues    EBANDS =        22.57861380
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53195630 eV

  energy without entropy =      -13.48947596  energy(sigma->0) =      -13.51071613


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0518: real time    0.0526
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   41.3756: real time   41.3919
       DOS:  cpu time    0.0210: real time    0.0210
    CHARGE:  cpu time    0.2859: real time    0.2859
    MIXING:  cpu time    0.0049: real time    0.0049
    --------------------------------------------
      LOOP:  cpu time   41.7430: real time   41.7602

 eigenvalue-minimisations  : 16632
 total energy-change (2. order) : 0.1924129E-04  (-0.8156362E-04)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060605 magnetization 

 Broyden mixing:
  rms(total) = 0.24903E-02    rms(broyden)= 0.24903E-02
  rms(prec ) = 0.57922E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7948
  1.0056  2.4338  1.9449

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.40042058
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80139158
  PAW double counting   =       428.88716409     -327.54150377
  entropy T*S    EENTRO =        -0.04250388
  eigenvalues    EBANDS =        22.57611902
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53193705 eV

  energy without entropy =      -13.48943317  energy(sigma->0) =      -13.51068511


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0496: real time    0.0499
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   41.3756: real time   41.3956
       DOS:  cpu time    0.0204: real time    0.0204
    --------------------------------------------
      LOOP:  cpu time   41.4494: real time   41.4698

 eigenvalue-minimisations  : 17924
 total energy-change (2. order) : 0.3367108E-06  (-0.2172777E-05)
 number of electron       9.9999999 magnetization 
 augmentation part       -0.1060605 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.01163777
  -Hartree energ DENC   =        -3.40109155
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80117237
  PAW double counting   =       429.32910007     -327.98321722
  entropy T*S    EENTRO =        -0.04250559
  eigenvalues    EBANDS =        22.57635031
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.53193672 eV

  energy without entropy =      -13.48943113  energy(sigma->0) =      -13.51068392


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2434       2 -74.2399       3 -74.2413       4 -74.2380
 
 
 
 E-fermi :   6.2616     XC(G=0):  -9.5660     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6253      2.00000
      2       4.2583      2.00000
      3       4.3281      2.00000
      4       4.4098      2.00000
      5       5.5443      1.99847
      6       5.5699      1.99802
      7       7.6089      0.00000
      8      11.8886      0.00000
      9      12.5245      0.00000
     10      12.6940      0.00000
     11      12.7445      0.00000
     12      12.8177      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5758      2.00000
      2       3.6501      2.00000
      3       4.3768      2.00000
      4       4.3773      2.00000
      5       5.5990      1.99735
      6       6.1708      1.42481
      7       7.8124      0.00000
      8      11.2013      0.00000
      9      11.5896      0.00000
     10      12.3878      0.00000
     11      12.8496      0.00000
     12      12.9694      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4283      2.00000
      2       2.6238      2.00000
      3       4.5135      2.00000
      4       4.5245      2.00000
      5       5.7621      1.98654
      6       6.7678      0.01258
      7       8.5901      0.00000
      8      10.1900      0.00000
      9      10.4710      0.00000
     10      11.6052      0.00000
     11      12.8804      0.00000
     12      12.9470      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1858      2.00000
      2       1.6292      2.00000
      3       4.7461      2.00000
      4       4.7685      2.00000
      5       6.0319      1.81718
      6       7.0491      0.00076
      7       9.2017      0.00000
      8       9.4323      0.00000
      9       9.8783      0.00000
     10      10.7002      0.00000
     11      12.3876      0.00000
     12      13.1190      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8567      2.00000
      2       0.7231      2.00000
      3       5.0694      1.99999
      4       5.1057      1.99998
      5       6.4039      0.38829
      6       7.2193      0.00014
      7       8.3266      0.00000
      8       8.4949      0.00000
      9       9.8017      0.00000
     10      11.2722      0.00000
     11      12.0446      0.00000
     12      13.3772      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4656      2.00000
      2      -0.0565      2.00000
      3       5.4731      1.99925
      4       5.5237      1.99875
      5       6.8572      0.00517
      6       7.2977      0.00006
      7       7.6114      0.00000
      8       7.6757      0.00000
      9       8.9674      0.00000
     10      11.4665      0.00000
     11      13.1315      0.00000
     12      13.7058      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1125      2.00000
      2      -0.6047      2.00000
      3       5.8967      1.94925
      4       5.9514      1.91389
      5       6.8275      0.00695
      6       7.0471      0.00078
      7       7.4210      0.00002
      8       7.5192      0.00001
      9       8.2390      0.00000
     10      11.3058      0.00000
     11      14.0228      0.00000
     12      14.4288      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6403      2.00000
      3       4.3064      2.00000
      4       4.4595      2.00000
      5       5.6172      1.99682
      6       6.1566      1.48123
      7       7.8067      0.00000
      8      11.4529      0.00000
      9      11.6520      0.00000
     10      12.1819      0.00000
     11      12.2482      0.00000
     12      12.7296      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5265      2.00000
      2       3.5689      2.00000
      3       3.8387      2.00000
      4       4.4279      2.00000
      5       5.9344      1.92687
      6       6.5176      0.14350
      7       7.9625      0.00000
      8      10.8143      0.00000
      9      11.2822      0.00000
     10      11.7396      0.00000
     11      12.4857      0.00000
     12      12.8955      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6563      2.00000
      3       3.8790      2.00000
      4       4.5656      2.00000
      5       6.1464      1.51949
      6       7.1401      0.00031
      7       8.6385      0.00000
      8       9.8033      0.00000
      9      10.3073      0.00000
     10      11.8052      0.00000
     11      12.0086      0.00000
     12      12.8863      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1362      2.00000
      2       1.6704      2.00000
      3       4.1134      2.00000
      4       4.8002      2.00000
      5       6.3965      0.41182
      6       7.4394      0.00002
      7       8.8045      0.00000
      8       9.3025      0.00000
      9       9.9529      0.00000
     10      11.1221      0.00000
     11      12.0446      0.00000
     12      12.5557      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8066      2.00000
      2       0.7666      2.00000
      3       4.4429      2.00000
      4       5.1252      1.99998
      5       6.6909      0.02696
      6       7.5882      0.00000
      7       7.9811      0.00000
      8       8.4685      0.00000
      9      10.2438      0.00000
     10      11.3663      0.00000
     11      12.1011      0.00000
     12      12.4170      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4147      2.00000
      2      -0.0126      2.00000
      3       4.8484      2.00000
      4       5.5290      1.99868
      5       6.7640      0.01307
      6       7.3103      0.00006
      7       7.7190      0.00000
      8       7.9566      0.00000
      9       9.4346      0.00000
     10      11.6499      0.00000
     11      12.6455      0.00000
     12      13.2029      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0600      2.00000
      2      -0.5621      2.00000
      3       5.2521      1.99992
      4       5.9454      1.91871
      5       6.3459      0.60152
      6       6.8819      0.00404
      7       7.7875      0.00000
      8       8.1296      0.00000
      9       8.7342      0.00000
     10      11.4719      0.00000
     11      13.0389      0.00000
     12      13.9656      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4290      2.00000
      2       2.6117      2.00000
      3       4.4502      2.00000
      4       4.6083      2.00000
      5       5.7756      1.98461
      6       6.7665      0.01275
      7       8.5719      0.00000
      8      10.4113      0.00000
      9      10.5126      0.00000
     10      11.4186      0.00000
     11      12.3112      0.00000
     12      12.7105      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3794      2.00000
      2       2.6448      2.00000
      3       3.8875      2.00000
      4       4.5746      2.00000
      5       6.1503      1.50537
      6       7.1485      0.00028
      7       8.6221      0.00000
      8       9.8355      0.00000
      9      10.4961      0.00000
     10      11.4706      0.00000
     11      11.8706      0.00000
     12      13.0511      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5872      2.00000
      3       3.0740      2.00000
      4       4.7119      2.00000
      5       6.4119      0.36394
      6       8.0601      0.00000
      7       8.6657      0.00000
      8       9.1534      0.00000
      9      10.3685      0.00000
     10      10.7412      0.00000
     11      11.9918      0.00000
     12      12.7100      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9879      2.00000
      2       1.7800      2.00000
      3       3.1259      2.00000
      4       4.9462      2.00000
      5       6.5753      0.08321
      6       7.9185      0.00000
      7       8.5956      0.00000
      8       9.4305      0.00000
      9      10.0679      0.00000
     10      10.9154      0.00000
     11      11.5105      0.00000
     12      12.6464      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6570      2.00000
      2       0.8936      2.00000
      3       3.4296      2.00000
      4       5.2709      1.99990
      5       6.4678      0.22559
      6       7.4544      0.00001
      7       8.5514      0.00000
      8       8.8616      0.00000
      9      10.7725      0.00000
     10      11.1399      0.00000
     11      11.6153      0.00000
     12      12.5478      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2625      2.00000
      2       0.1171      2.00000
      3       3.8151      2.00000
      4       5.6733      1.99444
      5       5.9217      1.93530
      6       7.4234      0.00002
      7       7.9619      0.00000
      8       8.9833      0.00000
      9      10.1874      0.00000
     10      11.5575      0.00000
     11      12.2437      0.00000
     12      12.8728      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9027      2.00000
      2      -0.4357      2.00000
      3       4.1858      2.00000
      4       5.4048      1.99962
      5       6.0970      1.67664
      6       7.0313      0.00091
      7       7.9944      0.00000
      8       8.9909      0.00000
      9       9.8511      0.00000
     10      11.8553      0.00000
     11      12.0847      0.00000
     12      13.0243      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1874      2.00000
      2       1.6187      2.00000
      3       4.6876      2.00000
      4       4.8558      2.00000
      5       6.0384      1.80609
      6       7.0544      0.00072
      7       9.3939      0.00000
      8       9.4662      0.00000
      9       9.8380      0.00000
     10      10.5388      0.00000
     11      12.3100      0.00000
     12      13.1601      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1376      2.00000
      2       1.6601      2.00000
      3       4.1212      2.00000
      4       4.8178      2.00000
      5       6.3944      0.41877
      6       7.4551      0.00001
      7       8.8366      0.00000
      8       9.4684      0.00000
      9       9.9011      0.00000
     10      10.9709      0.00000
     11      11.7300      0.00000
     12      12.5969      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7708      2.00000
      3       3.1359      2.00000
      4       4.9542      2.00000
      5       6.5714      0.08637
      6       7.9306      0.00000
      7       8.6064      0.00000
      8       9.6032      0.00000
      9      10.0352      0.00000
     10      10.6588      0.00000
     11      11.4317      0.00000
     12      12.8063      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7441      2.00000
      2       1.7656      2.00000
      3       2.3791      2.00000
      4       5.1881      1.99996
      5       6.3663      0.51927
      6       7.4700      0.00001
      7       9.5834      0.00000
      8       9.7099      0.00000
      9       9.9669      0.00000
     10      10.4114      0.00000
     11      11.4268      0.00000
     12      12.5017      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4107      2.00000
      2       1.0822      2.00000
      3       2.4686      2.00000
      4       5.5123      1.99889
      5       5.7193      1.99121
      6       7.5404      0.00001
      7       8.8033      0.00000
      8      10.0333      0.00000
      9      10.1796      0.00000
     10      11.1971      0.00000
     11      11.4921      0.00000
     12      12.6215      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0113      2.00000
      2       0.3250      2.00000
      3       2.8143      2.00000
      4       5.0289      1.99999
      5       5.9156      1.93903
      6       7.6634      0.00000
      7       8.1975      0.00000
      8       9.8331      0.00000
      9      10.5421      0.00000
     10      11.1612      0.00000
     11      12.1282      0.00000
     12      12.8693      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6420      2.00000
      2      -0.2314      2.00000
      3       3.1494      2.00000
      4       4.5166      2.00000
      5       6.3351      0.64786
      6       7.2764      0.00008
      7       8.2559      0.00000
      8       9.5099      0.00000
      9      10.9039      0.00000
     10      11.2660      0.00000
     11      12.0420      0.00000
     12      12.7265      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8596      2.00000
      2       0.7150      2.00000
      3       5.0126      1.99999
      4       5.2003      1.99995
      5       6.4039      0.38826
      6       7.2309      0.00012
      7       8.4745      0.00000
      8       8.5211      0.00000
      9       9.6664      0.00000
     10      11.2229      0.00000
     11      12.0095      0.00000
     12      12.8506      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8094      2.00000
      2       0.7587      2.00000
      3       4.4481      2.00000
      4       5.1539      1.99997
      5       6.6825      0.02927
      6       7.6051      0.00000
      7       8.0466      0.00000
      8       8.5434      0.00000
      9      10.1282      0.00000
     10      11.3383      0.00000
     11      11.9192      0.00000
     12      12.2967      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8862      2.00000
      3       3.4389      2.00000
      4       5.2885      1.99988
      5       6.4663      0.22864
      6       7.4784      0.00001
      7       8.6030      0.00000
      8       8.9183      0.00000
      9      10.6085      0.00000
     10      11.0430      0.00000
     11      11.5299      0.00000
     12      12.6495      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4120      2.00000
      2       1.0760      2.00000
      3       2.4760      2.00000
      4       5.5180      1.99882
      5       5.7256      1.99064
      6       7.5531      0.00000
      7       8.8793      0.00000
      8       9.9473      0.00000
      9      10.1244      0.00000
     10      11.1656      0.00000
     11      11.4884      0.00000
     12      12.7071      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0743      2.00000
      2       1.1397      2.00000
      3       1.8020      2.00000
      4       4.9187      2.00000
      5       5.8463      1.96904
      6       7.8055      0.00000
      7       9.0566      0.00000
      8       9.2835      0.00000
      9      10.5828      0.00000
     10      11.3603      0.00000
     11      11.9950      0.00000
     12      12.5638      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6666      2.00000
      2       0.5849      2.00000
      3       1.9168      2.00000
      4       4.2111      2.00000
      5       6.2480      1.06746
      6       7.9957      0.00000
      7       8.5019      0.00000
      8       9.5968      0.00000
      9      10.2543      0.00000
     10      11.3957      0.00000
     11      12.0626      0.00000
     12      12.5244      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2809      2.00000
      2       0.0360      2.00000
      3       2.1951      2.00000
      4       3.7215      2.00000
      5       6.6664      0.03431
      6       7.6115      0.00000
      7       8.6017      0.00000
      8       9.7638      0.00000
      9      10.0461      0.00000
     10      11.1294      0.00000
     11      11.9574      0.00000
     12      12.7999      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4705      2.00000
      2      -0.0618      2.00000
      3       5.4056      1.99962
      4       5.6357      1.99618
      5       6.8689      0.00460
      6       7.3581      0.00003
      7       7.6728      0.00000
      8       7.6950      0.00000
      9       8.8493      0.00000
     10      11.4198      0.00000
     11      13.1300      0.00000
     12      13.7787      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4194      2.00000
      2      -0.0178      2.00000
      3       4.8477      2.00000
      4       5.5711      1.99800
      5       6.7646      0.01299
      6       7.4581      0.00001
      7       7.6871      0.00000
      8       7.9437      0.00000
      9       9.3587      0.00000
     10      11.6029      0.00000
     11      12.4488      0.00000
     12      13.1130      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2667      2.00000
      2       0.1122      2.00000
      3       3.8222      2.00000
      4       5.6924      1.99328
      5       5.9392      1.92341
      6       7.5870      0.00000
      7       7.8443      0.00000
      8       8.9944      0.00000
      9      10.1280      0.00000
     10      11.3722      0.00000
     11      12.2695      0.00000
     12      12.9300      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0145      2.00000
      2       0.3209      2.00000
      3       2.8207      2.00000
      4       5.0319      1.99999
      5       5.9387      1.92382
      6       7.8201      0.00000
      7       8.0844      0.00000
      8       9.7756      0.00000
      9      10.4152      0.00000
     10      11.1648      0.00000
     11      12.3206      0.00000
     12      12.7401      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6685      2.00000
      2       0.5821      2.00000
      3       1.9209      2.00000
      4       4.2133      2.00000
      5       6.2587      1.01432
      6       8.1329      0.00000
      7       8.4080      0.00000
      8       9.4917      0.00000
      9      10.1993      0.00000
     10      11.5851      0.00000
     11      11.9545      0.00000
     12      12.5486      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2458      2.00000
      2       0.7189      2.00000
      3       1.2991      2.00000
      4       3.5227      2.00000
      5       6.6593      0.03677
      6       8.3927      0.00000
      7       8.7812      0.00000
      8       8.8825      0.00000
      9      10.2513      0.00000
     10      10.8682      0.00000
     11      11.4041      0.00000
     12      13.5856      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8293      2.00000
      2       0.3280      2.00000
      3       1.3472      2.00000
      4       3.0701      2.00000
      5       7.0784      0.00057
      6       8.0165      0.00000
      7       9.0198      0.00000
      8       9.1568      0.00000
      9      10.0335      0.00000
     10      10.3476      0.00000
     11      11.1807      0.00000
     12      13.4840      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1201      2.00000
      2      -0.6070      2.00000
      3       5.7760      1.98455
      4       6.1190      1.61247
      5       6.9958      0.00129
      6       7.1179      0.00038
      7       7.4152      0.00002
      8       7.4366      0.00002
      9       8.1164      0.00000
     10      11.2692      0.00000
     11      13.6653      0.00000
     12      14.0321      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0674      2.00000
      2      -0.5642      2.00000
      3       5.2365      1.99993
      4       6.0047      1.85759
      5       6.3594      0.54653
      6       7.0844      0.00053
      7       7.6182      0.00000
      8       8.1453      0.00000
      9       8.6968      0.00000
     10      11.4399      0.00000
     11      12.7801      0.00000
     12      14.2913      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9095      2.00000
      2      -0.4374      2.00000
      3       4.1887      2.00000
      4       5.4135      1.99959
      5       6.1345      1.56164
      6       7.2246      0.00013
      7       7.8076      0.00000
      8       8.9784      0.00000
      9       9.8590      0.00000
     10      11.7060      0.00000
     11      11.9999      0.00000
     12      13.2381      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6479      2.00000
      2      -0.2325      2.00000
      3       3.1535      2.00000
      4       4.5235      2.00000
      5       6.3588      0.54862
      6       7.4600      0.00001
      7       8.0797      0.00000
      8       9.4713      0.00000
      9      10.7474      0.00000
     10      11.2872      0.00000
     11      12.1907      0.00000
     12      12.6798      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2856      2.00000
      2       0.0359      2.00000
      3       2.1978      2.00000
      4       3.7259      2.00000
      5       6.6769      0.03095
      6       7.7815      0.00000
      7       8.4446      0.00000
      8       9.7091      0.00000
      9       9.9042      0.00000
     10      11.3634      0.00000
     11      11.8530      0.00000
     12      12.8364      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8322      2.00000
      2       0.3292      2.00000
      3       1.3478      2.00000
      4       3.0721      2.00000
      5       7.0772      0.00057
      6       8.1669      0.00000
      7       8.8248      0.00000
      8       9.1539      0.00000
      9       9.8515      0.00000
     10      10.6790      0.00000
     11      11.0665      0.00000
     12      13.5009      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3450      2.00000
      2       0.5077      2.00000
      3       0.7096      2.00000
      4       2.6638      2.00000
      5       7.5051      0.00001
      6       8.3971      0.00000
      7       8.5431      0.00000
      8       9.4349      0.00000
      9       9.7186      0.00000
     10      10.2114      0.00000
     11      10.5460      0.00000
     12      13.3758      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5267      2.00000
      2       3.5574      2.00000
      3       3.8307      2.00000
      4       4.4501      2.00000
      5       5.9545      1.91134
      6       6.4995      0.16957
      7       7.9569      0.00000
      8      10.7985      0.00000
      9      11.2836      0.00000
     10      11.7576      0.00000
     11      12.4935      0.00000
     12      12.9078      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4725      2.00000
      2       3.5137      2.00000
      3       3.6168      2.00000
      4       4.0979      2.00000
      5       6.5817      0.07819
      6       6.6080      0.06066
      7       8.1100      0.00000
      8      10.6628      0.00000
      9      11.0374      0.00000
     10      11.5347      0.00000
     11      12.1087      0.00000
     12      13.0626      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3202      2.00000
      2       2.6301      2.00000
      3       3.7112      2.00000
      4       4.1221      2.00000
      5       6.7613      0.01342
      6       7.3452      0.00004
      7       8.7357      0.00000
      8       9.8137      0.00000
      9      10.3309      0.00000
     10      11.1254      0.00000
     11      11.8263      0.00000
     12      13.0219      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0730      2.00000
      2       1.6609      2.00000
      3       3.9299      2.00000
      4       4.3218      2.00000
      5       7.0266      0.00095
      6       7.6519      0.00000
      7       8.8421      0.00000
      8       9.3448      0.00000
      9       9.9972      0.00000
     10      11.0496      0.00000
     11      11.2926      0.00000
     12      12.6217      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7392      2.00000
      2       0.7669      2.00000
      3       4.2444      2.00000
      4       4.6156      2.00000
      5       7.3001      0.00006
      6       7.6309      0.00000
      7       8.1605      0.00000
      8       8.5588      0.00000
      9      10.2574      0.00000
     10      11.2224      0.00000
     11      11.6182      0.00000
     12      12.3680      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3447      2.00000
      2      -0.0033      2.00000
      3       4.6473      2.00000
      4       4.9736      1.99999
      5       6.9146      0.00291
      6       7.3248      0.00005
      7       8.1283      0.00000
      8       8.3093      0.00000
      9       9.4901      0.00000
     10      11.5493      0.00000
     11      11.9474      0.00000
     12      13.3314      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -1.9962      2.00000
      2      -0.5358      2.00000
      3       5.1053      1.99998
      4       5.3117      1.99985
      5       6.2760      0.92813
      6       6.8479      0.00566
      7       8.2901      0.00000
      8       8.6403      0.00000
      9       8.8100      0.00000
     10      11.5503      0.00000
     11      12.2236      0.00000
     12      14.0555      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3796      2.00000
      2       2.6440      2.00000
      3       3.8687      2.00000
      4       4.5968      2.00000
      5       6.1657      1.44558
      6       7.1308      0.00034
      7       8.6201      0.00000
      8       9.8189      0.00000
      9      10.5159      0.00000
     10      11.4750      0.00000
     11      11.8782      0.00000
     12      13.0548      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3253      2.00000
      2       2.6819      2.00000
      3       3.6642      2.00000
      4       4.1635      2.00000
      5       6.7492      0.01513
      6       7.3463      0.00004
      7       8.6658      0.00000
      8       9.6299      0.00000
      9      10.1321      0.00000
     10      11.6363      0.00000
     11      12.1429      0.00000
     12      12.6057      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1726      2.00000
      2       2.6143      2.00000
      3       3.0283      2.00000
      4       4.1005      2.00000
      5       7.1561      0.00026
      6       8.1292      0.00000
      7       8.6944      0.00000
      8       9.1123      0.00000
      9      10.0230      0.00000
     10      10.6878      0.00000
     11      12.0768      0.00000
     12      12.9927      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9246      2.00000
      2       1.7762      2.00000
      3       3.1441      2.00000
      4       4.2638      2.00000
      5       7.2320      0.00012
      6       8.0776      0.00000
      7       8.6041      0.00000
      8       9.5017      0.00000
      9       9.8038      0.00000
     10      10.6224      0.00000
     11      11.5554      0.00000
     12      13.2145      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.5895      2.00000
      2       0.8956      2.00000
      3       3.4622      2.00000
      4       4.5248      2.00000
      5       6.7151      0.02122
      6       8.1076      0.00000
      7       8.3088      0.00000
      8       9.1361      0.00000
      9      10.3025      0.00000
     10      10.8310      0.00000
     11      11.8532      0.00000
     12      12.8376      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.1923      2.00000
      2       0.1272      2.00000
      3       3.8603      2.00000
      4       4.8514      2.00000
      5       6.0281      1.82341
      6       7.5726      0.00000
      7       8.4486      0.00000
      8       9.2297      0.00000
      9      10.2064      0.00000
     10      10.7389      0.00000
     11      12.3570      0.00000
     12      13.3284      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8387      2.00000
      2      -0.4089      2.00000
      3       4.2408      2.00000
      4       5.1542      1.99997
      5       5.5424      1.99850
      6       6.9461      0.00213
      7       8.6252      0.00000
      8       9.4210      0.00000
      9       9.8751      0.00000
     10      11.0966      0.00000
     11      12.0751      0.00000
     12      13.1320      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1378      2.00000
      2       1.6598      2.00000
      3       4.1018      2.00000
      4       4.8398      2.00000
      5       6.4101      0.36929
      6       7.4355      0.00002
      7       8.8203      0.00000
      8       9.4891      0.00000
      9       9.9022      0.00000
     10      10.9770      0.00000
     11      11.7296      0.00000
     12      12.5872      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0832      2.00000
      2       1.7047      2.00000
      3       3.9130      2.00000
      4       4.3797      2.00000
      5       6.9807      0.00151
      6       7.6303      0.00000
      7       8.6466      0.00000
      8       9.1303      0.00000
      9      10.0020      0.00000
     10      11.4722      0.00000
     11      11.8634      0.00000
     12      12.7649      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9298      2.00000
      2       1.8200      2.00000
      3       3.0920      2.00000
      4       4.3111      2.00000
      5       7.1903      0.00019
      6       8.0725      0.00000
      7       8.4533      0.00000
      8       9.2633      0.00000
      9      10.0586      0.00000
     10      10.9112      0.00000
     11      11.8969      0.00000
     12      12.6648      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6804      2.00000
      2       1.7985      2.00000
      3       2.3813      2.00000
      4       4.4721      2.00000
      5       6.6126      0.05805
      6       8.0681      0.00000
      7       8.9592      0.00000
      8       9.5815      0.00000
      9      10.0422      0.00000
     10      10.7438      0.00000
     11      11.7236      0.00000
     12      12.7633      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3428      2.00000
      2       1.0896      2.00000
      3       2.5132      2.00000
      4       4.7176      2.00000
      5       5.8492      1.96813
      6       8.3582      0.00000
      7       8.6039      0.00000
      8       9.4156      0.00000
      9      10.2754      0.00000
     10      11.2778      0.00000
     11      11.9879      0.00000
     12      13.0098      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9407      2.00000
      2       0.3369      2.00000
      3       2.8693      2.00000
      4       4.8574      2.00000
      5       5.3384      1.99980
      6       7.8227      0.00000
      7       8.7099      0.00000
      8       9.6933      0.00000
      9      10.1735      0.00000
     10      11.1998      0.00000
     11      12.5963      0.00000
     12      13.0877      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5776      2.00000
      2      -0.2038      2.00000
      3       3.2066      2.00000
      4       4.5004      2.00000
      5       5.5642      1.99813
      6       7.1647      0.00024
      7       8.8868      0.00000
      8       9.8928      0.00000
      9      10.2063      0.00000
     10      11.2983      0.00000
     11      11.9525      0.00000
     12      13.1326      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8095      2.00000
      2       0.7584      2.00000
      3       4.4285      2.00000
      4       5.1758      1.99996
      5       6.6992      0.02482
      6       7.5792      0.00000
      7       8.0380      0.00000
      8       8.5641      0.00000
      9      10.1310      0.00000
     10      11.3357      0.00000
     11      11.9176      0.00000
     12      12.2931      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7545      2.00000
      2       0.8057      2.00000
      3       4.2566      2.00000
      4       4.6836      2.00000
      5       7.1909      0.00018
      6       7.5780      0.00000
      7       7.8675      0.00000
      8       8.5847      0.00000
      9      10.6261      0.00000
     10      11.3788      0.00000
     11      12.0846      0.00000
     12      12.4479      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.5997      2.00000
      2       0.9373      2.00000
      3       3.4053      2.00000
      4       4.6137      2.00000
      5       6.6719      0.03249
      6       7.8464      0.00000
      7       8.0959      0.00000
      8       9.2848      0.00000
      9      10.9396      0.00000
     10      11.2191      0.00000
     11      11.7250      0.00000
     12      12.6763      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3478      2.00000
      2       1.1310      2.00000
      3       2.4642      2.00000
      4       4.7605      2.00000
      5       5.8325      1.97297
      6       8.0820      0.00000
      7       8.4068      0.00000
      8       9.9742      0.00000
      9      10.5244      0.00000
     10      11.5116      0.00000
     11      11.7012      0.00000
     12      12.6765      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0058      2.00000
      2       1.1779      2.00000
      3       1.8218      2.00000
      4       4.7751      2.00000
      5       5.2682      1.99990
      6       8.3559      0.00000
      7       8.7133      0.00000
      8       9.0958      0.00000
      9      11.0163      0.00000
     10      11.8737      0.00000
     11      12.0961      0.00000
     12      12.4686      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.5954      2.00000
      2       0.6016      2.00000
      3       1.9711      2.00000
      4       4.1933      2.00000
      5       5.4953      1.99906
      6       8.1010      0.00000
      7       8.8845      0.00000
      8       9.0535      0.00000
      9      10.5708      0.00000
     10      11.7480      0.00000
     11      12.3151      0.00000
     12      12.6050      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2158      2.00000
      2       0.0651      2.00000
      3       2.2522      2.00000
      4       3.7268      2.00000
      5       5.8778      1.95782
      6       7.4592      0.00001
      7       9.1335      0.00000
      8       9.3255      0.00000
      9      10.2850      0.00000
     10      11.1794      0.00000
     11      12.4442      0.00000
     12      12.8878      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4196      2.00000
      2      -0.0181      2.00000
      3       4.8279      2.00000
      4       5.5926      1.99752
      5       6.7629      0.01321
      6       7.4602      0.00001
      7       7.7048      0.00000
      8       7.9329      0.00000
      9       9.3549      0.00000
     10      11.5969      0.00000
     11      12.4500      0.00000
     12      13.1134      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3636      2.00000
      2       0.0295      2.00000
      3       4.6836      2.00000
      4       5.0475      1.99999
      5       6.7474      0.01541
      6       7.1492      0.00028
      7       7.9443      0.00000
      8       8.4382      0.00000
      9       9.8238      0.00000
     10      11.8069      0.00000
     11      12.4498      0.00000
     12      13.2828      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2060      2.00000
      2       0.1635      2.00000
      3       3.8002      2.00000
      4       4.9753      1.99999
      5       5.9708      1.89645
      6       7.2018      0.00017
      7       8.3749      0.00000
      8       9.4402      0.00000
      9      10.5455      0.00000
     10      11.3976      0.00000
     11      12.3916      0.00000
     12      12.9757      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9491      2.00000
      2       0.3765      2.00000
      3       2.8139      2.00000
      4       4.9052      2.00000
      5       5.3319      1.99982
      6       7.4026      0.00002
      7       8.6967      0.00000
      8      10.3439      0.00000
      9      10.5308      0.00000
     10      11.3353      0.00000
     11      12.3776      0.00000
     12      12.7107      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.5988      2.00000
      2       0.6411      2.00000
      3       1.9232      2.00000
      4       4.1920      2.00000
      5       5.5104      1.99891
      6       7.6730      0.00000
      7       9.0607      0.00000
      8       9.4316      0.00000
      9      10.9453      0.00000
     10      11.7125      0.00000
     11      11.8798      0.00000
     12      12.6861      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1731      2.00000
      2       0.7624      2.00000
      3       1.3284      2.00000
      4       3.5190      2.00000
      5       5.8647      1.96289
      6       7.9625      0.00000
      7       8.6307      0.00000
      8       9.4627      0.00000
      9      10.7321      0.00000
     10      11.0774      0.00000
     11      11.6250      0.00000
     12      13.8021      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7625      2.00000
      2       0.3599      2.00000
      3       1.4019      2.00000
      4       3.0807      2.00000
      5       6.2791      0.91272
      6       7.7805      0.00000
      7       8.4477      0.00000
      8       9.6962      0.00000
      9      10.2094      0.00000
     10      10.7538      0.00000
     11      11.6694      0.00000
     12      13.8352      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5644      2.00000
      3       5.2167      1.99994
      4       6.0246      1.82892
      5       6.3452      0.60446
      6       7.1057      0.00043
      7       7.6462      0.00000
      8       8.1299      0.00000
      9       8.6809      0.00000
     10      11.4350      0.00000
     11      12.7815      0.00000
     12      14.2717      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0096      2.00000
      2      -0.5183      2.00000
      3       5.1285      1.99998
      4       5.3782      1.99971
      5       6.1447      1.52591
      6       6.7048      0.02350
      7       8.4358      0.00000
      8       8.4656      0.00000
      9       9.1053      0.00000
     10      11.6208      0.00000
     11      12.8433      0.00000
     12      14.2522      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8467      2.00000
      2      -0.3878      2.00000
      3       4.1829      2.00000
      4       5.2667      1.99990
      5       5.4559      1.99937
      6       6.7032      0.02386
      7       8.6937      0.00000
      8       9.5680      0.00000
      9      10.0342      0.00000
     10      11.7646      0.00000
     11      12.1307      0.00000
     12      13.2994      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5801      2.00000
      2      -0.1789      2.00000
      3       3.1536      2.00000
      4       4.4916      2.00000
      5       5.5637      1.99814
      6       6.8794      0.00414
      7       9.0068      0.00000
      8      10.1872      0.00000
      9      10.7334      0.00000
     10      11.4164      0.00000
     11      12.1534      0.00000
     12      12.6898      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2131      2.00000
      2       0.0935      2.00000
      3       2.2031      2.00000
      4       3.7125      2.00000
      5       5.8506      1.96771
      6       7.1392      0.00031
      7       9.3814      0.00000
      8       9.7940      0.00000
      9      10.5530      0.00000
     10      11.2494      0.00000
     11      11.9414      0.00000
     12      12.9648      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7560      2.00000
      2       0.3895      2.00000
      3       1.3594      2.00000
      4       3.0700      2.00000
      5       6.2321      1.14625
      6       7.4514      0.00001
      7       8.8948      0.00000
      8       9.8904      0.00000
      9      10.4450      0.00000
     10      10.7764      0.00000
     11      11.2502      0.00000
     12      13.7058      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2730      2.00000
      2       0.5561      2.00000
      3       0.7447      2.00000
      4       2.6750      2.00000
      5       6.6836      0.02895
      6       7.7452      0.00000
      7       8.1777      0.00000
      8       9.8248      0.00000
      9      10.2019      0.00000
     10      10.7666      0.00000
     11      10.9909      0.00000
     12      13.6972      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2321      2.00000
      2       2.5767      2.00000
      3       3.0670      2.00000
      4       4.7340      2.00000
      5       6.4356      0.29848
      6       8.0407      0.00000
      7       8.6479      0.00000
      8       9.1447      0.00000
      9      10.3752      0.00000
     10      10.7589      0.00000
     11      12.0105      0.00000
     12      12.7244      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1731      2.00000
      2       2.6028      2.00000
      3       3.0256      2.00000
      4       4.1172      2.00000
      5       7.1801      0.00021
      6       8.1115      0.00000
      7       8.6761      0.00000
      8       9.1111      0.00000
      9      10.0330      0.00000
     10      10.6919      0.00000
     11      12.0875      0.00000
     12      13.0132      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0156      2.00000
      2       2.6392      2.00000
      3       2.7784      2.00000
      4       3.5588      2.00000
      5       8.1637      0.00000
      6       8.2181      0.00000
      7       8.7928      0.00000
      8       8.8451      0.00000
      9       9.3397      0.00000
     10      10.3272      0.00000
     11      12.5352      0.00000
     12      13.5167      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7627      2.00000
      2       1.8423      2.00000
      3       2.9702      2.00000
      4       3.6028      2.00000
      5       7.6673      0.00000
      6       8.1682      0.00000
      7       8.8325      0.00000
      8       9.0216      0.00000
      9       9.4151      0.00000
     10      10.7558      0.00000
     11      12.2749      0.00000
     12      13.4512      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4225      2.00000
      2       0.9813      2.00000
      3       3.2940      2.00000
      4       3.8344      2.00000
      5       6.8181      0.00763
      6       7.5042      0.00001
      7       9.1121      0.00000
      8       9.3347      0.00000
      9       9.6667      0.00000
     10      11.5954      0.00000
     11      12.0299      0.00000
     12      12.9671      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0211      2.00000
      2       0.2239      2.00000
      3       3.7099      2.00000
      4       4.1303      2.00000
      5       6.0083      1.85273
      6       6.8375      0.00628
      7       9.5507      0.00000
      8       9.7303      0.00000
      9       9.7992      0.00000
     10      10.9001      0.00000
     11      12.3480      0.00000
     12      13.0317      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6710      2.00000
      2      -0.2967      2.00000
      3       4.1826      2.00000
      4       4.3960      2.00000
      5       5.3106      1.99985
      6       6.3651      0.52410
      7       9.8060      0.00000
      8      10.0503      0.00000
      9      10.1359      0.00000
     10      10.3479      0.00000
     11      11.7697      0.00000
     12      12.9395      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9896      2.00000
      2       1.7691      2.00000
      3       3.1200      2.00000
      4       4.9763      1.99999
      5       6.5912      0.07135
      6       7.9171      0.00000
      7       8.5810      0.00000
      8       9.6225      0.00000
      9      10.0358      0.00000
     10      10.6651      0.00000
     11      11.4474      0.00000
     12      12.8107      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9304      2.00000
      2       1.8185      2.00000
      3       3.0780      2.00000
      4       4.3289      2.00000
      5       7.2008      0.00017
      6       8.0700      0.00000
      7       8.4456      0.00000
      8       9.2636      0.00000
      9      10.0576      0.00000
     10      10.9135      0.00000
     11      11.9153      0.00000
     12      12.6717      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7721      2.00000
      2       1.9479      2.00000
      3       2.8934      2.00000
      4       3.6070      2.00000
      5       7.4898      0.00001
      6       7.9525      0.00000
      7       8.7577      0.00000
      8       9.3695      0.00000
      9       9.5755      0.00000
     10      10.7507      0.00000
     11      12.6662      0.00000
     12      13.2210      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5178      2.00000
      2       1.9299      2.00000
      3       2.3924      2.00000
      4       3.5559      2.00000
      5       6.7681      0.01255
      6       7.9728      0.00000
      7       8.7886      0.00000
      8       9.2647      0.00000
      9      10.2186      0.00000
     10      11.0824      0.00000
     11      12.5900      0.00000
     12      13.4993      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.1753      2.00000
      2       1.1862      2.00000
      3       2.6107      2.00000
      4       3.7603      2.00000
      5       5.9441      1.91975
      6       7.6426      0.00000
      7       8.5335      0.00000
      8       9.6410      0.00000
      9      10.6912      0.00000
     10      12.0222      0.00000
     11      12.1483      0.00000
     12      12.8556      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.7691      2.00000
      2       0.4383      2.00000
      3       2.9977      2.00000
      4       4.0381      2.00000
      5       5.2207      1.99994
      6       6.9521      0.00200
      7       8.7938      0.00000
      8      10.0243      0.00000
      9      10.9072      0.00000
     10      11.4162      0.00000
     11      11.9372      0.00000
     12      13.6278      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4097      2.00000
      2      -0.0882      2.00000
      3       3.3597      2.00000
      4       4.2829      2.00000
      5       4.7494      2.00000
      6       6.3832      0.45729
      7       9.1134      0.00000
      8      10.1942      0.00000
      9      10.8603      0.00000
     10      11.2008      0.00000
     11      11.5179      0.00000
     12      13.4998      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2       0.8851      2.00000
      3       3.4219      2.00000
      4       5.3104      1.99985
      5       6.4668      0.22771
      6       7.4880      0.00001
      7       8.6127      0.00000
      8       8.9043      0.00000
      9      10.6195      0.00000
     10      11.0472      0.00000
     11      11.5288      0.00000
     12      12.6320      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6003      2.00000
      2       0.9365      2.00000
      3       3.3898      2.00000
      4       4.6320      2.00000
      5       6.6625      0.03563
      6       7.8676      0.00000
      7       8.1061      0.00000
      8       9.2642      0.00000
      9      10.9415      0.00000
     10      11.2340      0.00000
     11      11.7248      0.00000
     12      12.6686      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4406      2.00000
      2       1.0747      2.00000
      3       3.2454      2.00000
      4       3.8482      2.00000
      5       6.6005      0.06526
      6       7.2385      0.00011
      7       9.0618      0.00000
      8       9.7037      0.00000
      9      10.0448      0.00000
     10      11.9153      0.00000
     11      12.1371      0.00000
     12      13.2266      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.1839      2.00000
      2       1.2787      2.00000
      3       2.5025      2.00000
      4       3.8013      2.00000
      5       5.8997      1.94778
      6       7.2256      0.00013
      7       9.0843      0.00000
      8       9.5997      0.00000
      9      10.8544      0.00000
     10      12.0377      0.00000
     11      12.6026      0.00000
     12      12.7237      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8372      2.00000
      2       1.3170      2.00000
      3       1.9091      2.00000
      4       3.9928      2.00000
      5       5.1326      1.99997
      6       7.3639      0.00003
      7       8.2748      0.00000
      8       9.9793      0.00000
      9      11.6347      0.00000
     10      11.9351      0.00000
     11      12.4157      0.00000
     12      12.8417      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4229      2.00000
      2       0.7127      2.00000
      3       2.1116      2.00000
      4       4.0575      2.00000
      5       4.6822      2.00000
      6       7.1242      0.00036
      7       8.0160      0.00000
      8      10.3355      0.00000
      9      10.9024      0.00000
     10      11.7210      0.00000
     11      12.8092      0.00000
     12      13.5405      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0475      2.00000
      2       0.1861      2.00000
      3       2.4088      2.00000
      4       3.7474      2.00000
      5       4.8647      2.00000
      6       6.5753      0.08317
      7       8.2307      0.00000
      8      10.2442      0.00000
      9      10.5411      0.00000
     10      11.6122      0.00000
     11      13.0155      0.00000
     12      13.6941      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2674      2.00000
      2       0.1113      2.00000
      3       3.8046      2.00000
      4       5.7120      1.99183
      5       5.9299      1.93002
      6       7.6121      0.00000
      7       7.8647      0.00000
      8       8.9808      0.00000
      9      10.1205      0.00000
     10      11.3754      0.00000
     11      12.2505      0.00000
     12      12.9350      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2065      2.00000
      2       0.1629      2.00000
      3       3.7837      2.00000
      4       4.9936      1.99999
      5       5.9597      1.90683
      6       7.2181      0.00014
      7       8.4000      0.00000
      8       9.4187      0.00000
      9      10.5491      0.00000
     10      11.3994      0.00000
     11      12.3762      0.00000
     12      12.9833      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0442      2.00000
      2       0.3024      2.00000
      3       3.6865      2.00000
      4       4.1449      2.00000
      5       5.7804      1.98386
      6       6.6073      0.06111
      7       9.4904      0.00000
      8       9.9344      0.00000
      9      10.4432      0.00000
     10      11.3928      0.00000
     11      12.5723      0.00000
     12      13.0832      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.7826      2.00000
      2       0.5225      2.00000
      3       2.8787      2.00000
      4       4.1101      2.00000
      5       5.1372      1.99997
      6       6.5564      0.09964
      7       9.4470      0.00000
      8       9.9784      0.00000
      9      11.1511      0.00000
     10      11.8106      0.00000
     11      12.1718      0.00000
     12      13.3338      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4278      2.00000
      2       0.7963      2.00000
      3       2.0097      2.00000
      4       4.0739      2.00000
      5       4.6584      2.00000
      6       6.7314      0.01805
      7       8.5306      0.00000
      8      10.3318      0.00000
      9      11.0200      0.00000
     10      12.1795      0.00000
     11      12.8070      0.00000
     12      13.0472      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.9986      2.00000
      2       0.9076      2.00000
      3       1.4461      2.00000
      4       3.5421      2.00000
      5       4.8686      2.00000
      6       6.9289      0.00253
      7       7.7688      0.00000
      8      10.1620      0.00000
      9      10.8525      0.00000
     10      12.0483      0.00000
     11      12.8646      0.00000
     12      14.1757      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.5929      2.00000
      2       0.4897      2.00000
      3       1.5578      2.00000
      4       3.1289      2.00000
      5       5.2445      1.99992
      6       6.7869      0.01040
      7       7.4893      0.00001
      8       9.6421      0.00000
      9      10.9707      0.00000
     10      11.9136      0.00000
     11      12.9194      0.00000
     12      14.5975      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9102      2.00000
      2      -0.4383      2.00000
      3       4.1702      2.00000
      4       5.4005      1.99964
      5       6.1564      1.48200
      6       7.2454      0.00011
      7       7.8379      0.00000
      8       8.9828      0.00000
      9       9.8267      0.00000
     10      11.7088      0.00000
     11      11.9848      0.00000
     12      13.2404      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8472      2.00000
      2      -0.3885      2.00000
      3       4.1648      2.00000
      4       5.2701      1.99990
      5       5.4621      1.99933
      6       6.7179      0.02063
      7       8.7251      0.00000
      8       9.5638      0.00000
      9      10.0119      0.00000
     10      11.7662      0.00000
     11      12.1182      0.00000
     12      13.3007      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6793      2.00000
      2      -0.2529      2.00000
      3       4.1625      2.00000
      4       4.3879      2.00000
      5       5.1117      1.99998
      6       6.1935      1.32767
      7       9.9960      0.00000
      8      10.0720      0.00000
      9      10.7136      0.00000
     10      10.8112      0.00000
     11      12.0301      0.00000
     12      12.9888      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4080      2.00000
      2      -0.0376      2.00000
      3       3.2473      2.00000
      4       4.3403      2.00000
      5       4.6099      2.00000
      6       6.1120      1.63372
      7       9.7460      0.00000
      8      10.3666      0.00000
      9      11.2047      0.00000
     10      11.3611      0.00000
     11      11.7516      0.00000
     12      13.5342      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0367      2.00000
      2       0.2429      2.00000
      3       2.3072      2.00000
      4       3.7183      2.00000
      5       4.8034      2.00000
      6       6.2595      1.01016
      7       8.7931      0.00000
      8      10.4308      0.00000
      9      10.8197      0.00000
     10      11.8456      0.00000
     11      13.0582      0.00000
     12      13.2078      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.5763      2.00000
      2       0.5478      2.00000
      3       1.4715      2.00000
      4       3.1049      2.00000
      5       5.1812      1.99996
      6       6.4855      0.19246
      7       7.9267      0.00000
      8       9.7682      0.00000
      9      11.2494      0.00000
     10      12.0854      0.00000
     11      12.4352      0.00000
     12      14.5463      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.0986      2.00000
      2       0.7065      2.00000
      3       0.8848      2.00000
      4       2.7242      2.00000
      5       5.6356      1.99618
      6       6.6959      0.02565
      7       7.1888      0.00019
      8       9.2668      0.00000
      9      11.4504      0.00000
     10      12.0784      0.00000
     11      12.2698      0.00000
     12      14.5921      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7458      2.00000
      2       1.7562      2.00000
      3       2.3728      2.00000
      4       5.2093      1.99995
      5       6.3683      0.51186
      6       7.4816      0.00001
      7       9.5911      0.00000
      8       9.6994      0.00000
      9       9.9777      0.00000
     10      10.4001      0.00000
     11      11.4441      0.00000
     12      12.5142      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6819      2.00000
      2       1.7886      2.00000
      3       2.3765      2.00000
      4       4.4904      2.00000
      5       6.6053      0.06227
      6       8.0917      0.00000
      7       8.9706      0.00000
      8       9.5869      0.00000
      9      10.0267      0.00000
     10      10.7308      0.00000
     11      11.7411      0.00000
     12      12.7833      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5188      2.00000
      2       1.9196      2.00000
      3       2.3919      2.00000
      4       3.5681      2.00000
      5       6.7584      0.01381
      6       7.9846      0.00000
      7       8.7937      0.00000
      8       9.2908      0.00000
      9      10.1998      0.00000
     10      11.0686      0.00000
     11      12.6042      0.00000
     12      13.5114      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2592      2.00000
      2       2.0360      2.00000
      3       2.2183      2.00000
      4       3.0632      2.00000
      5       6.7239      0.01945
      6       7.1121      0.00040
      7       8.0580      0.00000
      8      10.4737      0.00000
      9      10.5222      0.00000
     10      11.4062      0.00000
     11      12.7271      0.00000
     12      13.2588      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9108      2.00000
      2       1.3496      2.00000
      3       2.5065      2.00000
      4       3.1499      2.00000
      5       6.0074      1.85405
      6       6.6672      0.03402
      7       7.7546      0.00000
      8      10.8417      0.00000
      9      11.1038      0.00000
     10      11.6573      0.00000
     11      12.7896      0.00000
     12      13.1018      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.4984      2.00000
      2       0.6205      2.00000
      3       2.9295      2.00000
      4       3.3937      2.00000
      5       5.1920      1.99995
      6       6.1354      1.55876
      7       7.9041      0.00000
      8      10.7367      0.00000
      9      11.3253      0.00000
     10      11.6017      0.00000
     11      12.5351      0.00000
     12      14.0184      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1391      2.00000
      2       0.1090      2.00000
      3       3.4105      2.00000
      4       3.6171      2.00000
      5       4.4888      2.00000
      6       5.7326      1.98996
      7       8.1597      0.00000
      8      10.2213      0.00000
      9      11.6030      0.00000
     10      11.7524      0.00000
     11      12.1046      0.00000
     12      14.0013      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4137      2.00000
      2       1.0732      2.00000
      3       2.4629      2.00000
      4       5.5382      1.99856
      5       5.7178      1.99134
      6       7.5766      0.00000
      7       8.8983      0.00000
      8       9.9528      0.00000
      9      10.1136      0.00000
     10      11.1653      0.00000
     11      11.4924      0.00000
     12      12.7129      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3493      2.00000
      2       1.1284      2.00000
      3       2.4515      2.00000
      4       4.7781      2.00000
      5       5.8232      1.97534
      6       8.1032      0.00000
      7       8.4287      0.00000
      8       9.9797      0.00000
      9      10.4982      0.00000
     10      11.5239      0.00000
     11      11.7097      0.00000
     12      12.6836      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.1849      2.00000
      2       1.2768      2.00000
      3       2.4918      2.00000
      4       3.8148      2.00000
      5       5.8906      1.95221
      6       7.2379      0.00012
      7       9.0880      0.00000
      8       9.6277      0.00000
      9      10.8231      0.00000
     10      12.0377      0.00000
     11      12.6234      0.00000
     12      12.7292      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9231      2.00000
      2       1.5040      2.00000
      3       2.3918      2.00000
      4       3.1227      2.00000
      5       5.7863      1.98289
      6       6.5407      0.11556
      7       8.1810      0.00000
      8      10.8629      0.00000
      9      11.2013      0.00000
     10      11.6789      0.00000
     11      12.6852      0.00000
     12      13.4922      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.5709      2.00000
      2       1.5525      2.00000
      3       2.0154      2.00000
      4       3.1281      2.00000
      5       5.1908      1.99996
      6       6.3771      0.47913
      7       7.4396      0.00002
      8      10.7080      0.00000
      9      11.4756      0.00000
     10      12.3827      0.00000
     11      13.1937      0.00000
     12      13.5501      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.1511      2.00000
      2       0.9112      2.00000
      3       2.3210      2.00000
      4       3.3653      2.00000
      5       4.5160      2.00000
      6       6.1169      1.61891
      7       7.1637      0.00024
      8      10.0272      0.00000
      9      11.8722      0.00000
     10      12.7555      0.00000
     11      13.2471      0.00000
     12      14.5899      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.7769      2.00000
      2       0.3935      2.00000
      3       2.6622      2.00000
      4       3.5917      2.00000
      5       4.0706      2.00000
      6       5.6814      1.99398
      7       7.2743      0.00008
      8       9.5093      0.00000
      9      11.9901      0.00000
     10      12.8421      0.00000
     11      13.2647      0.00000
     12      14.8830      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0162      2.00000
      2       0.3188      2.00000
      3       2.8062      2.00000
      4       5.0212      1.99999
      5       5.9598      1.90669
      6       7.8475      0.00000
      7       8.1042      0.00000
      8       9.7871      0.00000
      9      10.4206      0.00000
     10      11.1367      0.00000
     11      12.3317      0.00000
     12      12.7442      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9506      2.00000
      2       0.3746      2.00000
      3       2.7998      2.00000
      4       4.9039      2.00000
      5       5.3418      1.99980
      6       7.4199      0.00002
      7       8.7252      0.00000
      8      10.3505      0.00000
      9      10.5325      0.00000
     10      11.3170      0.00000
     11      12.3911      0.00000
     12      12.7133      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.7835      2.00000
      2       0.5213      2.00000
      3       2.8660      2.00000
      4       4.1236      2.00000
      5       5.1306      1.99998
      6       6.5676      0.08950
      7       9.4501      0.00000
      8      10.0094      0.00000
      9      11.1217      0.00000
     10      11.8226      0.00000
     11      12.1740      0.00000
     12      13.3469      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5172      2.00000
      2       0.7524      2.00000
      3       2.8382      2.00000
      4       3.3606      2.00000
      5       4.9476      2.00000
      6       5.9631      1.90377
      7       8.4732      0.00000
      8      10.8490      0.00000
      9      11.2931      0.00000
     10      11.8339      0.00000
     11      13.1146      0.00000
     12      14.0344      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.1577      2.00000
      2       1.0435      2.00000
      3       2.1594      2.00000
      4       3.3915      2.00000
      5       4.4348      2.00000
      6       5.8561      1.96592
      7       7.5781      0.00000
      8      10.0897      0.00000
      9      11.8760      0.00000
     10      13.0935      0.00000
     11      13.6621      0.00000
     12      14.1048      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7241      2.00000
      2       1.1524      2.00000
      3       1.6441      2.00000
      4       3.4587      2.00000
      5       4.0616      2.00000
      6       5.9248      1.93335
      7       6.8515      0.00547
      8       9.4217      0.00000
      9      12.2942      0.00000
     10      13.3729      0.00000
     11      14.2271      0.00000
     12      14.4657      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3216      2.00000
      2       0.7131      2.00000
      3       1.8139      2.00000
      4       3.1913      2.00000
      5       4.2669      2.00000
      6       5.7726      1.98506
      7       6.5332      0.12403
      8       8.9485      0.00000
      9      12.4140      0.00000
     10      13.2916      0.00000
     11      14.3140      0.00000
     12      14.8489      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6495      2.00000
      2      -0.2345      2.00000
      3       3.1380      2.00000
      4       4.5131      2.00000
      5       6.3802      0.46779
      6       7.4799      0.00001
      7       8.1097      0.00000
      8       9.4875      0.00000
      9      10.7550      0.00000
     10      11.2476      0.00000
     11      12.1941      0.00000
     12      12.6878      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5815      2.00000
      2      -0.1807      2.00000
      3       3.1382      2.00000
      4       4.4820      2.00000
      5       5.5836      1.99773
      6       6.8957      0.00352
      7       9.0379      0.00000
      8      10.2051      0.00000
      9      10.7388      0.00000
     10      11.3779      0.00000
     11      12.1551      0.00000
     12      12.7034      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4089      2.00000
      2      -0.0387      2.00000
      3       3.2327      2.00000
      4       4.3429      2.00000
      5       4.6175      2.00000
      6       6.1218      1.60367
      7       9.7494      0.00000
      8      10.4004      0.00000
      9      11.2214      0.00000
     10      11.3468      0.00000
     11      11.7266      0.00000
     12      13.5184      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1332      2.00000
      2       0.1860      2.00000
      3       3.3236      2.00000
      4       3.5608      2.00000
      5       4.2650      2.00000
      6       5.5907      1.99756
      7       8.7325      0.00000
      8      10.4492      0.00000
      9      11.7775      0.00000
     10      11.9833      0.00000
     11      12.5147      0.00000
     12      14.1043      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.7578      2.00000
      2       0.4795      2.00000
      3       2.5045      2.00000
      4       3.6076      2.00000
      5       3.9006      2.00000
      6       5.4671      1.99929
      7       7.7701      0.00000
      8       9.6867      0.00000
      9      12.2666      0.00000
     10      13.1430      0.00000
     11      13.5532      0.00000
     12      14.3240      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.2945      2.00000
      2       0.8016      2.00000
      3       1.6817      2.00000
      4       3.1557      2.00000
      5       4.1829      2.00000
      6       5.5605      1.99820
      7       6.9011      0.00333
      8       9.0554      0.00000
      9      12.7268      0.00000
     10      13.5037      0.00000
     11      13.8008      0.00000
     12      15.0818      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1768      2.00000
      2       0.9574      2.00000
      3       1.1292      2.00000
      4       2.8010      2.00000
      5       4.6322      2.00000
      6       5.6826      1.99390
      7       6.1645      1.45051
      8       8.6250      0.00000
      9      12.8811      0.00000
     10      13.5216      0.00000
     11      13.6998      0.00000
     12      15.7627      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0773      2.00000
      2       1.1311      2.00000
      3       1.7960      2.00000
      4       4.9106      2.00000
      5       5.8663      1.96231
      6       7.8308      0.00000
      7       9.0693      0.00000
      8       9.3004      0.00000
      9      10.6006      0.00000
     10      11.3710      0.00000
     11      11.9723      0.00000
     12      12.5664      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0087      2.00000
      2       1.1691      2.00000
      3       1.8165      2.00000
      4       4.7761      2.00000
      5       5.2768      1.99989
      6       8.3736      0.00000
      7       8.7392      0.00000
      8       9.1052      0.00000
      9      11.0346      0.00000
     10      11.8696      0.00000
     11      12.0900      0.00000
     12      12.4748      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8395      2.00000
      2       1.3084      2.00000
      3       1.9054      2.00000
      4       4.0052      2.00000
      5       5.1265      1.99998
      6       7.3762      0.00003
      7       8.2816      0.00000
      8      10.0103      0.00000
      9      11.6378      0.00000
     10      11.9359      0.00000
     11      12.4049      0.00000
     12      12.8473      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.5723      2.00000
      2       1.5441      2.00000
      3       2.0153      2.00000
      4       3.1367      2.00000
      5       5.1848      1.99996
      6       6.3851      0.45052
      7       7.4432      0.00001
      8      10.7132      0.00000
      9      11.5049      0.00000
     10      12.3663      0.00000
     11      13.1762      0.00000
     12      13.5653      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2136      2.00000
      2       1.7391      2.00000
      3       1.9687      2.00000
      4       2.6930      2.00000
      5       5.1566      1.99997
      6       5.5396      1.99854
      7       6.7695      0.01236
      8       9.9509      0.00000
      9      12.7552      0.00000
     10      12.8107      0.00000
     11      13.7674      0.00000
     12      14.2769      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.7854      2.00000
      2       1.1715      2.00000
      3       2.3454      2.00000
      4       2.8251      2.00000
      5       4.5402      2.00000
      6       5.2150      1.99994
      7       6.4286      0.31664
      8       9.2923      0.00000
      9      13.2077      0.00000
     10      13.4443      0.00000
     11      14.2187      0.00000
     12      15.0176      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4064      2.00000
      2       0.6727      2.00000
      3       2.8281      2.00000
      4       3.0218      2.00000
      5       3.8537      2.00000
      6       4.9871      1.99999
      7       6.4019      0.39455
      8       8.8367      0.00000
      9      13.5090      0.00000
     10      13.5964      0.00000
     11      13.9964      0.00000
     12      15.4765      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6715      2.00000
      2       0.5780      2.00000
      3       1.9098      2.00000
      4       4.2051      2.00000
      5       6.2787      0.91445
      6       8.1598      0.00000
      7       8.4268      0.00000
      8       9.5036      0.00000
      9      10.2196      0.00000
     10      11.6011      0.00000
     11      11.9630      0.00000
     12      12.5101      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6016      2.00000
      2       0.6372      2.00000
      3       1.9124      2.00000
      4       4.1846      2.00000
      5       5.5281      1.99870
      6       7.6896      0.00000
      7       9.0890      0.00000
      8       9.4406      0.00000
      9      10.9684      0.00000
     10      11.7263      0.00000
     11      11.8903      0.00000
     12      12.6490      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4300      2.00000
      2       0.7930      2.00000
      3       1.9995      2.00000
      4       4.0742      2.00000
      5       4.6659      2.00000
      6       6.7439      0.01595
      7       8.5366      0.00000
      8      10.3622      0.00000
      9      11.0268      0.00000
     10      12.1987      0.00000
     11      12.7996      0.00000
     12      13.0428      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.1590      2.00000
      2       1.0414      2.00000
      3       2.1510      2.00000
      4       3.4008      2.00000
      5       4.4312      2.00000
      6       5.8636      1.96330
      7       7.5811      0.00000
      8      10.0930      0.00000
      9      11.9086      0.00000
     10      13.0650      0.00000
     11      13.6770      0.00000
     12      14.1224      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.7943      2.00000
      2       1.3654      2.00000
      3       2.1881      2.00000
      4       2.7660      2.00000
      5       4.3114      2.00000
      6       5.2258      1.99994
      7       6.7138      0.02148
      8       9.3481      0.00000
      9      13.2347      0.00000
     10      13.6907      0.00000
     11      14.6088      0.00000
     12      14.7890      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.3546      2.00000
      2       1.4883      2.00000
      3       1.8897      2.00000
      4       2.8623      2.00000
      5       3.8982      2.00000
      6       5.0025      1.99999
      7       6.0208      1.83487
      8       8.7390      0.00000
      9      13.8150      0.00000
     10      14.6148      0.00000
     11      14.8620      0.00000
     12      15.5045      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1       0.0490      2.00000
      2       1.0194      2.00000
      3       2.1662      2.00000
      4       3.0995      2.00000
      5       3.5363      2.00000
      6       4.8443      2.00000
      7       5.6544      1.99540
      8       8.3370      0.00000
      9      13.9271      0.00000
     10      14.7021      0.00000
     11      15.1741      0.00000
     12      15.7266      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2884      2.00000
      2       0.0322      2.00000
      3       2.1852      2.00000
      4       3.7185      2.00000
      5       6.6971      0.02535
      6       7.8001      0.00000
      7       8.4734      0.00000
      8       9.7282      0.00000
      9       9.9169      0.00000
     10      11.3733      0.00000
     11      11.8707      0.00000
     12      12.7926      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2157      2.00000
      2       0.0900      2.00000
      3       2.1906      2.00000
      4       3.7054      2.00000
      5       5.8695      1.96110
      6       7.1550      0.00026
      7       9.4098      0.00000
      8       9.8045      0.00000
      9      10.5768      0.00000
     10      11.2571      0.00000
     11      11.9617      0.00000
     12      12.9210      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0388      2.00000
      2       0.2400      2.00000
      3       2.2952      2.00000
      4       3.7125      2.00000
      5       4.8192      2.00000
      6       6.2711      0.95238
      7       8.7991      0.00000
      8      10.4405      0.00000
      9      10.8505      0.00000
     10      11.8686      0.00000
     11      13.0787      0.00000
     12      13.1664      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.7591      2.00000
      2       0.4777      2.00000
      3       2.4937      2.00000
      4       3.6105      2.00000
      5       3.9067      2.00000
      6       5.4734      1.99924
      7       7.7731      0.00000
      8       9.6897      0.00000
      9      12.3032      0.00000
     10      13.1585      0.00000
     11      13.5172      0.00000
     12      14.3463      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.3802      2.00000
      2       0.7911      2.00000
      3       2.6760      2.00000
      4       2.9367      2.00000
      5       3.6246      2.00000
      6       4.9355      2.00000
      7       6.8098      0.00829
      8       8.9845      0.00000
      9      13.6953      0.00000
     10      14.0198      0.00000
     11      14.3854      0.00000
     12      15.2631      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.0857      2.00000
      2       1.1430      2.00000
      3       1.9813      2.00000
      4       3.0882      2.00000
      5       3.3792      2.00000
      6       4.7559      2.00000
      7       5.9421      1.92128
      8       8.4217      0.00000
      9      14.2627      0.00000
     10      14.9103      0.00000
     11      15.1922      0.00000
     12      15.4960      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.5506      2.00000
      2       1.3047      2.00000
      3       1.4752      2.00000
      4       2.8815      2.00000
      5       3.7213      2.00000
      6       4.7500      2.00000
      7       5.2124      1.99994
      8       8.0604      0.00000
      9      14.3847      0.00000
     10      15.0106      0.00000
     11      15.1755      0.00000
     12      16.5349      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2505      2.00000
      2       0.7111      2.00000
      3       1.2924      2.00000
      4       3.5176      2.00000
      5       6.6777      0.03070
      6       8.4141      0.00000
      7       8.7993      0.00000
      8       8.8998      0.00000
      9      10.2739      0.00000
     10      10.8859      0.00000
     11      11.4207      0.00000
     12      13.5952      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1776      2.00000
      2       0.7545      2.00000
      3       1.3221      2.00000
      4       3.5143      2.00000
      5       5.8815      1.95626
      6       7.9775      0.00000
      7       8.6425      0.00000
      8       9.4902      0.00000
      9      10.7521      0.00000
     10      11.0930      0.00000
     11      11.6487      0.00000
     12      13.8155      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0026      2.00000
      2       0.9000      2.00000
      3       1.4407      2.00000
      4       3.5385      2.00000
      5       4.8817      2.00000
      6       6.9406      0.00225
      7       7.7777      0.00000
      8      10.1727      0.00000
      9      10.8811      0.00000
     10      12.0750      0.00000
     11      12.8911      0.00000
     12      14.1528      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7273      2.00000
      2       1.1455      2.00000
      3       1.6402      2.00000
      4       3.4605      2.00000
      5       4.0668      2.00000
      6       5.9330      1.92783
      7       6.8572      0.00517
      8       9.4272      0.00000
      9      12.3279      0.00000
     10      13.4016      0.00000
     11      14.2490      0.00000
     12      14.4512      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.3564      2.00000
      2       1.4823      2.00000
      3       1.8886      2.00000
      4       2.8677      2.00000
      5       3.8968      2.00000
      6       5.0072      1.99999
      7       6.0234      1.83079
      8       8.7414      0.00000
      9      13.8494      0.00000
     10      14.6286      0.00000
     11      14.8553      0.00000
     12      15.4896      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.0931      2.00000
      2       1.7498      2.00000
      3       2.0343      2.00000
      4       2.4612      2.00000
      5       3.8839      2.00000
      6       4.2352      2.00000
      7       5.3431      1.99979
      8       8.2054      0.00000
      9      15.1420      0.00000
     10      15.1840      0.00000
     11      15.6251      0.00000
     12      16.1634      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.5104      2.00000
      2       1.3694      2.00000
      3       2.4552      2.00000
      4       2.6191      2.00000
      5       3.4098      2.00000
      6       4.0629      2.00000
      7       4.8975      2.00000
      8       7.8767      0.00000
      9      15.3900      0.00000
     10      15.6105      0.00000
     11      15.8905      0.00000
     12      16.8120      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8367      2.00000
      2       0.3232      2.00000
      3       1.3379      2.00000
      4       3.0678      2.00000
      5       7.0958      0.00048
      6       8.1836      0.00000
      7       8.8483      0.00000
      8       9.1716      0.00000
      9       9.8726      0.00000
     10      10.6943      0.00000
     11      11.0870      0.00000
     12      13.5148      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7603      2.00000
      2       0.3837      2.00000
      3       1.3497      2.00000
      4       3.0660      2.00000
      5       6.2496      1.05979
      6       7.4661      0.00001
      7       8.9064      0.00000
      8       9.9186      0.00000
      9      10.4566      0.00000
     10      10.8013      0.00000
     11      11.2735      0.00000
     12      13.7219      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.5801      2.00000
      2       0.5426      2.00000
      3       1.4623      2.00000
      4       3.1016      2.00000
      5       5.1957      1.99995
      6       6.4968      0.17378
      7       7.9354      0.00000
      8       9.7771      0.00000
      9      11.2811      0.00000
     10      12.1129      0.00000
     11      12.4616      0.00000
     12      14.5587      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.2974      2.00000
      2       0.7975      2.00000
      3       1.6734      2.00000
      4       3.1536      2.00000
      5       4.1941      2.00000
      6       5.5680      1.99806
      7       6.9068      0.00315
      8       9.0607      0.00000
      9      12.7622      0.00000
     10      13.5336      0.00000
     11      13.8301      0.00000
     12      15.0371      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.0841      2.00000
      2       1.1405      2.00000
      3       1.9745      2.00000
      4       3.0911      2.00000
      5       3.3835      2.00000
      6       4.7595      2.00000
      7       5.9448      1.91920
      8       8.4241      0.00000
      9      14.2994      0.00000
     10      14.9378      0.00000
     11      15.2196      0.00000
     12      15.4556      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.5524      2.00000
      2       1.5443      2.00000
      3       2.2379      2.00000
      4       2.5326      2.00000
      5       3.1960      2.00000
      6       4.1771      2.00000
      7       5.0824      1.99998
      8       7.9335      0.00000
      9      15.6217      0.00000
     10      16.0121      0.00000
     11      16.0920      0.00000
     12      16.3088      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       1.0143      2.00000
      2       1.7307      2.00000
      3       1.9125      2.00000
      4       2.8101      2.00000
      5       3.0559      2.00000
      6       3.9221      2.00000
      7       4.3667      2.00000
      8       7.6384      0.00000
      9      15.8713      0.00000
     10      16.4472      0.00000
     11      16.5835      0.00000
     12      16.9637      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3517      2.00000
      2       0.5001      2.00000
      3       0.7019      2.00000
      4       2.6623      2.00000
      5       7.5214      0.00001
      6       8.4139      0.00000
      7       8.5575      0.00000
      8       9.4589      0.00000
      9       9.7388      0.00000
     10      10.2345      0.00000
     11      10.5670      0.00000
     12      13.3943      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2796      2.00000
      2       0.5488      2.00000
      3       0.7371      2.00000
      4       2.6737      2.00000
      5       6.6992      0.02484
      6       7.7587      0.00000
      7       8.1917      0.00000
      8       9.8391      0.00000
      9      10.2277      0.00000
     10      10.7932      0.00000
     11      11.0157      0.00000
     12      13.7181      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1047      2.00000
      2       0.6999      2.00000
      3       0.8777      2.00000
      4       2.7236      2.00000
      5       5.6482      1.99567
      6       6.7065      0.02311
      7       7.1999      0.00017
      8       9.2774      0.00000
      9      11.4795      0.00000
     10      12.1084      0.00000
     11      12.2978      0.00000
     12      14.6177      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1715      2.00000
      2       0.9518      2.00000
      3       1.1230      2.00000
      4       2.8012      2.00000
      5       4.6416      2.00000
      6       5.6900      1.99343
      7       6.1725      1.41812
      8       8.6320      0.00000
      9      12.9138      0.00000
     10      13.5549      0.00000
     11      13.7313      0.00000
     12      15.7932      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.5465      2.00000
      2       1.3004      2.00000
      3       1.4702      2.00000
      4       2.8829      2.00000
      5       3.7276      2.00000
      6       4.7545      2.00000
      7       5.2173      1.99994
      8       8.0642      0.00000
      9      14.4203      0.00000
     10      15.0457      0.00000
     11      15.2093      0.00000
     12      16.5101      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.0117      2.00000
      2       1.7283      2.00000
      3       1.9094      2.00000
      4       2.8128      2.00000
      5       3.0587      2.00000
      6       3.9238      2.00000
      7       4.3689      2.00000
      8       7.6398      0.00000
      9      15.9050      0.00000
     10      16.4781      0.00000
     11      16.6135      0.00000
     12      16.9437      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4998      2.00000
      2       2.0172      2.00000
      3       2.3766      2.00000
      4       2.4401      2.00000
      5       2.9813      2.00000
      6       3.2763      2.00000
      7       3.6893      2.00000
      8       7.4030      0.00002
      9      16.9915      0.00000
     10      17.3953      0.00000
     11      17.4532      0.00000
     12      17.7133      0.00000

 k-point   197 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5760      2.00000
      2       3.6299      2.00000
      3       4.3771      2.00000
      4       4.3991      2.00000
      5       5.6166      1.99684
      6       6.1577      1.47702
      7       7.8051      0.00000
      8      11.2025      0.00000
      9      11.5703      0.00000
     10      12.3799      0.00000
     11      12.8677      0.00000
     12      12.9950      0.00000

 k-point   198 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2       3.4637      2.00000
      3       3.8647      2.00000
      4       4.4311      2.00000
      5       5.9637      1.90315
      6       6.5540      0.10189
      7       7.9949      0.00000
      8      11.3522      0.00000
      9      11.3918      0.00000
     10      11.8549      0.00000
     11      11.8974      0.00000
     12      12.7770      0.00000

 k-point   199 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3697      2.00000
      2       2.5922      2.00000
      3       3.8128      2.00000
      4       4.5831      2.00000
      5       6.1870      1.35661
      6       7.1991      0.00017
      7       8.7048      0.00000
      8      10.2947      0.00000
      9      10.4509      0.00000
     10      11.4607      0.00000
     11      11.7423      0.00000
     12      12.6493      0.00000

 k-point   200 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.1227      2.00000
      2       1.6185      2.00000
      3       3.9933      2.00000
      4       4.8317      2.00000
      5       6.4417      0.28343
      6       7.5394      0.00001
      7       9.2568      0.00000
      8       9.4286      0.00000
      9       9.9694      0.00000
     10      10.6549      0.00000
     11      11.9044      0.00000
     12      12.2645      0.00000

 k-point   201 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.7893      2.00000
      2       0.7228      2.00000
      3       4.2777      2.00000
      4       5.1732      1.99996
      5       6.7285      0.01858
      6       7.7832      0.00000
      7       8.3591      0.00000
      8       8.4992      0.00000
      9       9.8238      0.00000
     10      11.3743      0.00000
     11      11.9603      0.00000
     12      12.1702      0.00000

 k-point   202 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.3957      2.00000
      2      -0.0474      2.00000
      3       4.6491      2.00000
      4       5.5943      1.99747
      5       6.8618      0.00493
      6       7.6875      0.00000
      7       7.7396      0.00000
      8       8.0331      0.00000
      9       9.0545      0.00000
     10      11.5404      0.00000
     11      12.5180      0.00000
     12      13.0202      0.00000

 k-point   203 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.0488      2.00000
      2      -0.5786      2.00000
      3       5.0705      1.99999
      4       6.0161      1.84186
      5       6.4896      0.18548
      6       7.0750      0.00059
      7       7.6667      0.00000
      8       8.2687      0.00000
      9       8.4998      0.00000
     10      11.4444      0.00000
     11      12.9050      0.00000
     12      13.9677      0.00000

 k-point   204 :      -0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.0723      2.00000
      2      -0.5449      2.00000
      3       5.3171      1.99984
      4       5.9827      1.88415
      5       6.2043      1.27894
      6       7.1184      0.00038
      7       7.5497      0.00001
      8       7.9041      0.00000
      9       8.9574      0.00000
     10      11.5353      0.00000
     11      13.1566      0.00000
     12      14.2090      0.00000

 k-point   205 :      -0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.4339      2.00000
      2       0.0219      2.00000
      3       5.0170      1.99999
      4       5.5505      1.99837
      5       6.5578      0.09832
      6       7.1557      0.00026
      7       7.7614      0.00000
      8       7.7915      0.00000
      9       9.6300      0.00000
     10      11.7988      0.00000
     11      12.9721      0.00000
     12      13.1367      0.00000

 k-point   206 :      -0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1      -2.8240      2.00000
      2       0.8100      2.00000
      3       4.5939      2.00000
      4       5.1359      1.99997
      5       6.6199      0.05405
      6       7.2513      0.00010
      7       7.8042      0.00000
      8       8.5871      0.00000
      9      10.3814      0.00000
     10      11.3780      0.00000
     11      12.3818      0.00000
     12      12.5856      0.00000

 k-point   207 :      -0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.1497      2.00000
      2       1.7214      2.00000
      3       4.2265      2.00000
      4       4.8031      2.00000
      5       6.3252      0.69199
      6       7.3253      0.00005
      7       8.3541      0.00000
      8       9.5297      0.00000
      9       9.8804      0.00000
     10      11.2395      0.00000
     11      12.2214      0.00000
     12      12.8800      0.00000

 k-point   208 :      -0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.3880      2.00000
      2       2.7181      2.00000
      3       3.9443      2.00000
      4       4.5639      2.00000
      5       6.0941      1.68427
      6       7.0787      0.00057
      7       8.5481      0.00000
      8       9.3324      0.00000
      9      10.5716      0.00000
     10      11.9364      0.00000
     11      12.0164      0.00000
     12      12.9642      0.00000

 k-point   209 :      -0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1      -3.5311      2.00000
      2       3.6757      2.00000
      3       3.8184      2.00000
      4       4.4215      2.00000
      5       5.9021      1.94652
      6       6.4802      0.20192
      7       7.9263      0.00000
      8      10.2624      0.00000
      9      11.5727      0.00000
     10      11.8744      0.00000
     11      12.5595      0.00000
     12      12.8958      0.00000

 k-point   210 :      -0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0198      2.00000
      2      -0.5019      2.00000
      3       5.2756      1.99990
      4       5.3804      1.99970
      5       6.0600      1.76493
      6       6.7499      0.01503
      7       8.1428      0.00000
      8       8.3312      0.00000
      9       9.3020      0.00000
     10      11.6516      0.00000
     11      12.4035      0.00000
     12      13.7828      0.00000

 k-point   211 :      -0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3831      2.00000
      2       0.0660      2.00000
      3       4.8658      2.00000
      4       5.0749      1.99999
      5       6.5991      0.06615
      6       7.1229      0.00036
      7       7.6888      0.00000
      8       8.2759      0.00000
      9      10.0499      0.00000
     10      11.8760      0.00000
     11      12.2424      0.00000
     12      13.1533      0.00000

 k-point   212 :      -0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7739      2.00000
      2       0.8537      2.00000
      3       4.4331      2.00000
      4       4.6957      2.00000
      5       7.1255      0.00035
      6       7.3138      0.00005
      7       7.7242      0.00000
      8       8.4338      0.00000
      9      10.8684      0.00000
     10      11.4033      0.00000
     11      11.7926      0.00000
     12      12.5680      0.00000

 k-point   213 :      -0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.1000      2.00000
      2       1.7628      2.00000
      3       4.0760      2.00000
      4       4.3700      2.00000
      5       6.8496      0.00557
      6       7.5314      0.00001
      7       8.3313      0.00000
      8       9.0478      0.00000
      9       9.9743      0.00000
     10      11.4768      0.00000
     11      11.7616      0.00000
     12      13.0626      0.00000

 k-point   214 :      -0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3386      2.00000
      2       2.7514      2.00000
      3       3.8103      2.00000
      4       4.1286      2.00000
      5       6.6350      0.04665
      6       7.2696      0.00008
      7       8.6052      0.00000
      8       9.2992      0.00000
      9      10.0391      0.00000
     10      11.2506      0.00000
     11      12.5607      0.00000
     12      13.2481      0.00000

 k-point   215 :      -0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4818      2.00000
      2       3.6118      2.00000
      3       3.7277      2.00000
      4       4.0335      2.00000
      5       6.5169      0.14434
      6       6.5388      0.11765
      7       8.0579      0.00000
      8      10.2478      0.00000
      9      10.8430      0.00000
     10      11.2590      0.00000
     11      12.8055      0.00000
     12      13.3286      0.00000

 k-point   216 :      -0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8629      2.00000
      2      -0.3747      2.00000
      3       4.2241      2.00000
      4       5.3582      1.99976
      5       5.5339      1.99862
      6       6.6790      0.03029
      7       8.4174      0.00000
      8       9.4734      0.00000
      9      10.1105      0.00000
     10      11.3449      0.00000
     11      11.9712      0.00000
     12      12.9324      0.00000

 k-point   217 :      -0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2311      2.00000
      2       0.1962      2.00000
      3       3.8437      2.00000
      4       5.1704      1.99996
      5       6.0474      1.78976
      6       6.9784      0.00154
      7       8.0975      0.00000
      8       9.2888      0.00000
      9      10.7823      0.00000
     10      11.1169      0.00000
     11      12.3392      0.00000
     12      13.0439      0.00000

 k-point   218 :      -0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6244      2.00000
      2       0.9810      2.00000
      3       3.4552      2.00000
      4       4.7927      2.00000
      5       6.7606      0.01351
      6       7.4541      0.00001
      7       7.9652      0.00000
      8       9.0767      0.00000
      9      10.7301      0.00000
     10      11.5303      0.00000
     11      11.6249      0.00000
     12      12.8444      0.00000

 k-point   219 :      -0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9518      2.00000
      2       1.8722      2.00000
      3       3.1497      2.00000
      4       4.4516      2.00000
      5       7.1204      0.00037
      6       7.9352      0.00000
      7       8.3463      0.00000
      8       8.9324      0.00000
      9      10.0082      0.00000
     10      10.5819      0.00000
     11      12.3739      0.00000
     12      13.0578      0.00000

 k-point   220 :      -0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1910      2.00000
      2       2.6576      2.00000
      3       3.1182      2.00000
      4       4.1884      2.00000
      5       7.0129      0.00109
      6       8.0702      0.00000
      7       8.7367      0.00000
      8       8.9818      0.00000
      9       9.5686      0.00000
     10      10.3857      0.00000
     11      12.6124      0.00000
     12      13.4253      0.00000

 k-point   221 :      -0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3345      2.00000
      2       2.6785      2.00000
      3       3.8802      2.00000
      4       4.0898      2.00000
      5       6.6832      0.02908
      6       7.2619      0.00009
      7       8.6641      0.00000
      8       9.7856      0.00000
      9       9.9156      0.00000
     10      10.7462      0.00000
     11      12.2516      0.00000
     12      13.2322      0.00000

 k-point   222 :      -0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6028      2.00000
      2      -0.1690      2.00000
      3       3.1896      2.00000
      4       4.5311      2.00000
      5       5.7684      1.98567
      6       6.8594      0.00506
      7       8.6794      0.00000
      8      10.2126      0.00000
      9      10.3377      0.00000
     10      11.3284      0.00000
     11      11.6881      0.00000
     12      12.9013      0.00000

 k-point   223 :      -0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9802      2.00000
      2       0.4050      2.00000
      3       2.8452      2.00000
      4       4.9741      1.99999
      5       5.6193      1.99676
      6       7.1796      0.00021
      7       8.3549      0.00000
      8      10.1091      0.00000
      9      10.4911      0.00000
     10      11.4277      0.00000
     11      12.0234      0.00000
     12      12.6062      0.00000

 k-point   224 :      -0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3781      2.00000
      2       1.1689      2.00000
      3       2.4994      2.00000
      4       4.9681      2.00000
      5       5.9729      1.89437
      6       7.6992      0.00000
      7       8.1809      0.00000
      8       9.7621      0.00000
      9      10.3556      0.00000
     10      11.6278      0.00000
     11      11.9314      0.00000
     12      12.5101      0.00000

 k-point   225 :      -0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.7079      2.00000
      2       1.8333      2.00000
      3       2.4345      2.00000
      4       4.6657      2.00000
      5       6.7184      0.02054
      6       7.7423      0.00000
      7       8.6904      0.00000
      8       9.4445      0.00000
      9       9.8322      0.00000
     10      10.5981      0.00000
     11      12.1123      0.00000
     12      13.0801      0.00000

 k-point   226 :      -0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9484      2.00000
      2       1.8108      2.00000
      3       3.2214      2.00000
      4       4.4082      2.00000
      5       7.1715      0.00022
      6       8.0068      0.00000
      7       8.5509      0.00000
      8       9.0968      0.00000
      9       9.6629      0.00000
     10      10.3597      0.00000
     11      11.9050      0.00000
     12      13.3435      0.00000

 k-point   227 :      -0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0926      2.00000
      2       1.6991      2.00000
      3       4.1346      2.00000
      4       4.2997      2.00000
      5       6.9334      0.00241
      6       7.5736      0.00000
      7       8.7710      0.00000
      8       9.0627      0.00000
      9       9.9318      0.00000
     10      10.8374      0.00000
     11      11.3958      0.00000
     12      12.7805      0.00000

 k-point   228 :      -0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2428      2.00000
      2       0.1007      2.00000
      3       2.2374      2.00000
      4       3.7511      2.00000
      5       6.1099      1.64003
      6       7.1375      0.00031
      7       8.9869      0.00000
      8       9.4219      0.00000
      9      10.5051      0.00000
     10      10.9703      0.00000
     11      12.3527      0.00000
     12      12.8598      0.00000

 k-point   229 :      -0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6360      2.00000
      2       0.6648      2.00000
      3       1.9514      2.00000
      4       4.2430      2.00000
      5       5.8713      1.96044
      6       7.4746      0.00001
      7       8.6390      0.00000
      8       9.2099      0.00000
      9      11.0816      0.00000
     10      11.1401      0.00000
     11      12.0922      0.00000
     12      12.6818      0.00000

 k-point   230 :      -0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0418      2.00000
      2       1.2031      2.00000
      3       1.8589      2.00000
      4       4.8504      2.00000
      5       5.5929      1.99751
      6       8.0298      0.00000
      7       8.3504      0.00000
      8       8.9483      0.00000
      9      11.1367      0.00000
     10      11.7522      0.00000
     11      11.8618      0.00000
     12      12.2218      0.00000

 k-point   231 :      -0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3757      2.00000
      2       1.1154      2.00000
      3       2.5627      2.00000
      4       4.9297      2.00000
      5       6.0014      1.86195
      6       7.9661      0.00000
      7       8.3816      0.00000
      8       9.2068      0.00000
      9      10.2213      0.00000
     10      11.4636      0.00000
     11      11.8230      0.00000
     12      12.6949      0.00000

 k-point   232 :      -0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6186      2.00000
      2       0.9247      2.00000
      3       3.5306      2.00000
      4       4.7121      2.00000
      5       6.8290      0.00684
      6       7.7869      0.00000
      7       8.1506      0.00000
      8       8.9848      0.00000
      9      10.0462      0.00000
     10      11.0884      0.00000
     11      11.6559      0.00000
     12      12.8073      0.00000

 k-point   233 :      -0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7640      2.00000
      2       0.7992      2.00000
      3       4.4890      2.00000
      4       4.5904      2.00000
      5       7.2511      0.00010
      6       7.6349      0.00000
      7       7.8711      0.00000
      8       8.4002      0.00000
      9      10.5297      0.00000
     10      10.9942      0.00000
     11      11.4256      0.00000
     12      12.3953      0.00000

 k-point   234 :      -0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7932      2.00000
      2       0.3953      2.00000
      3       1.3933      2.00000
      4       3.1028      2.00000
      5       6.5400      0.11638
      6       7.4597      0.00001
      7       8.5809      0.00000
      8       9.3593      0.00000
      9      10.1184      0.00000
     10      10.8884      0.00000
     11      11.7336      0.00000
     12      13.9933      0.00000

 k-point   235 :      -0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.2161      2.00000
      2       0.7778      2.00000
      3       1.3600      2.00000
      4       3.5681      2.00000
      5       6.2699      0.95840
      6       7.7973      0.00000
      7       8.4206      0.00000
      8       8.9734      0.00000
      9      10.3554      0.00000
     10      11.0730      0.00000
     11      12.0261      0.00000
     12      13.9113      0.00000

 k-point   236 :      -0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6363      2.00000
      2       0.6197      2.00000
      3       2.0072      2.00000
      4       4.2488      2.00000
      5       5.8771      1.95811
      6       7.9338      0.00000
      7       8.4915      0.00000
      8       8.7914      0.00000
      9      10.5572      0.00000
     10      11.2503      0.00000
     11      12.5711      0.00000
     12      12.6286      0.00000

 k-point   237 :      -0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9780      2.00000
      2       0.3573      2.00000
      3       2.9128      2.00000
      4       4.9490      2.00000
      5       5.6459      1.99577
      6       7.6379      0.00000
      7       8.3422      0.00000
      8       9.4689      0.00000
      9      10.1773      0.00000
     10      11.1790      0.00000
     11      11.9765      0.00000
     12      13.1802      0.00000

 k-point   238 :      -0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2255      2.00000
      2       0.1503      2.00000
      3       3.9166      2.00000
      4       5.0653      1.99999
      5       6.1565      1.48192
      6       7.3883      0.00003
      7       8.1413      0.00000
      8       9.1637      0.00000
      9      10.2904      0.00000
     10      10.5182      0.00000
     11      12.2085      0.00000
     12      12.9261      0.00000

 k-point   239 :      -0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3734      2.00000
      2       0.0228      2.00000
      3       4.9204      2.00000
      4       4.9465      2.00000
      5       6.9244      0.00264
      6       7.2891      0.00007
      7       7.8089      0.00000
      8       8.1951      0.00000
      9       9.7181      0.00000
     10      11.3100      0.00000
     11      11.8792      0.00000
     12      13.1677      0.00000

 k-point   240 :      -0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3142      2.00000
      2       0.5618      2.00000
      3       0.7791      2.00000
      4       2.6944      2.00000
      5       7.0080      0.00115
      6       7.7200      0.00000
      7       7.9217      0.00000
      8       9.5197      0.00000
      9       9.8592      0.00000
     10      10.8510      0.00000
     11      11.3925      0.00000
     12      13.8448      0.00000

 k-point   241 :      -0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.8044      2.00000
      2       0.3672      2.00000
      3       1.4371      2.00000
      4       3.1172      2.00000
      5       6.6890      0.02745
      6       7.7078      0.00000
      7       8.1808      0.00000
      8       9.2936      0.00000
      9       9.7784      0.00000
     10      10.8340      0.00000
     11      12.1127      0.00000
     12      14.1070      0.00000

 k-point   242 :      -0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2537      2.00000
      2       0.0711      2.00000
      3       2.2921      2.00000
      4       3.7741      2.00000
      5       6.2468      1.07390
      6       7.3968      0.00002
      7       8.9072      0.00000
      8       8.9396      0.00000
      9       9.9786      0.00000
     10      10.9493      0.00000
     11      12.7916      0.00000
     12      12.9694      0.00000

 k-point   243 :      -0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.6111      2.00000
      2      -0.1970      2.00000
      3       3.2502      2.00000
      4       4.5558      2.00000
      5       5.8808      1.95655
      6       7.1008      0.00045
      7       8.6389      0.00000
      8       9.7131      0.00000
      9       9.9084      0.00000
     10      11.2087      0.00000
     11      11.4800      0.00000
     12      13.2046      0.00000

 k-point   244 :      -0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8675      2.00000
      2      -0.4002      2.00000
      3       4.2819      2.00000
      4       5.3116      1.99985
      5       5.6997      1.99277
      6       6.8912      0.00368
      7       8.4281      0.00000
      8       9.3003      0.00000
      9       9.9039      0.00000
     10      10.7381      0.00000
     11      11.7393      0.00000
     12      12.7958      0.00000

 k-point   245 :      -0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0201      2.00000
      2      -0.5245      2.00000
      3       5.2052      1.99995
      4       5.4683      1.99928
      5       6.2218      1.19645
      6       6.8863      0.00386
      7       8.2169      0.00000
      8       8.3423      0.00000
      9       8.9845      0.00000
     10      11.4673      0.00000
     11      11.8233      0.00000
     12      13.3778      0.00000

 k-point   246 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.4290      2.00000
      2       2.6063      2.00000
      3       4.5238      2.00000
      4       4.5356      2.00000
      5       5.7792      1.98405
      6       6.7684      0.01251
      7       8.5647      0.00000
      8      10.1940      0.00000
      9      10.4534      0.00000
     10      11.6012      0.00000
     11      12.8805      0.00000
     12      12.9608      0.00000

 k-point   247 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3703      2.00000
      2       2.5761      2.00000
      3       3.8316      2.00000
      4       4.5826      2.00000
      5       6.1933      1.32861
      6       7.2101      0.00015
      7       8.6825      0.00000
      8      10.2969      0.00000
      9      10.4343      0.00000
     10      11.4599      0.00000
     11      11.7618      0.00000
     12      12.6548      0.00000

 k-point   248 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2132      2.00000
      2       2.4351      2.00000
      3       3.0481      2.00000
      4       4.7392      2.00000
      5       6.4415      0.28394
      6       8.1522      0.00000
      7       8.9977      0.00000
      8       9.4495      0.00000
      9      10.3621      0.00000
     10      10.7876      0.00000
     11      11.6573      0.00000
     12      12.5544      0.00000

 k-point   249 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.9612      2.00000
      2       1.6667      2.00000
      3       3.0221      2.00000
      4       4.9924      1.99999
      5       6.6123      0.05822
      6       8.4215      0.00000
      7       8.7141      0.00000
      8       9.5118      0.00000
      9      10.1362      0.00000
     10      10.7881      0.00000
     11      11.1517      0.00000
     12      12.4173      0.00000

 k-point   250 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.6227      2.00000
      2       0.8029      2.00000
      3       3.2718      2.00000
      4       5.3380      1.99980
      5       6.6117      0.05853
      6       7.8152      0.00000
      7       8.5985      0.00000
      8       8.9451      0.00000
      9      10.4818      0.00000
     10      11.0503      0.00000
     11      11.5324      0.00000
     12      12.1733      0.00000

 k-point   251 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.2247      2.00000
      2       0.0462      2.00000
      3       3.6231      2.00000
      4       5.7618      1.98659
      5       6.1731      1.41564
      6       7.7390      0.00000
      7       7.7963      0.00000
      8       9.0522      0.00000
      9       9.9613      0.00000
     10      11.4039      0.00000
     11      11.9650      0.00000
     12      12.7146      0.00000

 k-point   252 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.8811      2.00000
      2      -0.4689      2.00000
      3       4.0195      2.00000
      4       5.5921      1.99753
      5       6.1760      1.40364
      6       7.2020      0.00016
      7       7.8508      0.00000
      8       8.9582      0.00000
      9       9.7629      0.00000
     10      11.7983      0.00000
     11      11.9537      0.00000
     12      13.2698      0.00000

 k-point   253 :      -0.4615    0.0000    0.1538
  band No.  band energies     occupation 
      1      -1.9288      2.00000
      2      -0.4001      2.00000
      3       4.2453      2.00000
      4       5.2961      1.99987
      5       6.1098      1.64035
      6       7.2880      0.00007
      7       7.7393      0.00000
      8       8.8823      0.00000
      9       9.8603      0.00000
     10      12.0409      0.00000
     11      12.1787      0.00000
     12      13.3117      0.00000

 k-point   254 :      -0.3846    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.3015      2.00000
      2       0.1868      2.00000
      3       3.9834      2.00000
      4       5.6396      1.99603
      5       5.6745      1.99437
      6       7.4404      0.00002
      7       7.9437      0.00000
      8       8.8172      0.00000
      9      10.2253      0.00000
     10      11.8264      0.00000
     11      12.5726      0.00000
     12      12.9772      0.00000

 k-point   255 :      -0.3077    0.0000    0.1538
  band No.  band energies     occupation 
      1      -2.6919      2.00000
      2       0.9819      2.00000
      3       3.5805      2.00000
      4       5.2636      1.99991
      5       6.2310      1.15153
      6       7.1912      0.00018
      7       8.6753      0.00000
      8       8.7747      0.00000
      9      10.7612      0.00000
     10      11.4307      0.00000
     11      11.4898      0.00000
     12      12.8434      0.00000

 k-point   256 :      -0.2308    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.0150      2.00000
      2       1.8890      2.00000
      3       3.2294      2.00000
      4       4.9354      2.00000
      5       6.5129      0.14987
      6       7.4218      0.00002
      7       8.4699      0.00000
      8       9.7188      0.00000
      9       9.9618      0.00000
     10      11.0701      0.00000
     11      11.4782      0.00000
     12      12.7307      0.00000

 k-point   257 :      -0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.2496      2.00000
      2       2.7398      2.00000
      3       3.0982      2.00000
      4       4.7009      2.00000
      5       6.3743      0.48926
      6       7.9616      0.00000
      7       8.1672      0.00000
      8       9.0273      0.00000
      9      10.6435      0.00000
     10      10.9118      0.00000
     11      11.9829      0.00000
     12      12.6928      0.00000

 k-point   258 :      -0.0769    0.0000    0.1538
  band No.  band energies     occupation 
      1      -3.3886      2.00000
      2       2.7009      2.00000
      3       3.9642      2.00000
      4       4.5634      2.00000
      5       6.1026      1.66104
      6       7.0881      0.00051
      7       8.5267      0.00000
      8       9.3334      0.00000
      9      10.5544      0.00000
     10      11.9563      0.00000
     11      12.0056      0.00000
     12      12.9830      0.00000

 k-point   259 :       0.0000    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3796      2.00000
      2       2.6388      2.00000
      3       3.8792      2.00000
      4       4.5877      2.00000
      5       6.1692      1.43137
      6       7.1327      0.00033
      7       8.6142      0.00000
      8       9.7902      0.00000
      9      10.3093      0.00000
     10      11.8237      0.00000
     11      12.0125      0.00000
     12      12.9085      0.00000

 k-point   260 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3208      2.00000
      2       2.6138      2.00000
      3       3.7235      2.00000
      4       4.1286      2.00000
      5       6.7767      0.01152
      6       7.3457      0.00004
      7       8.7141      0.00000
      8       9.8005      0.00000
      9      10.3345      0.00000
     10      11.1413      0.00000
     11      11.8297      0.00000
     12      13.0117      0.00000

 k-point   261 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.1636      2.00000
      2       2.4862      2.00000
      3       3.0460      2.00000
      4       4.1679      2.00000
      5       7.1226      0.00036
      6       8.1832      0.00000
      7       8.9980      0.00000
      8       9.3879      0.00000
      9       9.7088      0.00000
     10      10.4947      0.00000
     11      12.1629      0.00000
     12      12.9925      0.00000

 k-point   262 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9114      2.00000
      2       1.7125      2.00000
      3       3.0436      2.00000
      4       4.3911      2.00000
      5       7.2657      0.00009
      6       8.4793      0.00000
      7       8.5195      0.00000
      8       9.2243      0.00000
      9       9.8521      0.00000
     10      10.6519      0.00000
     11      11.6697      0.00000
     12      12.7888      0.00000

 k-point   263 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.5725      2.00000
      2       0.8482      2.00000
      3       3.3025      2.00000
      4       4.7030      2.00000
      5       7.0205      0.00101
      6       7.8564      0.00000
      7       8.2367      0.00000
      8       9.2514      0.00000
      9      10.3443      0.00000
     10      10.9121      0.00000
     11      11.7888      0.00000
     12      12.4895      0.00000

 k-point   264 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.1737      2.00000
      2       0.0910      2.00000
      3       3.6606      2.00000
      4       5.0687      1.99999
      5       6.3435      0.61196
      6       7.2340      0.00012
      7       8.3905      0.00000
      8       9.4315      0.00000
      9      10.2079      0.00000
     10      10.7138      0.00000
     11      12.1766      0.00000
     12      13.1857      0.00000

 k-point   265 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8285      2.00000
      2      -0.4254      2.00000
      3       4.0641      2.00000
      4       5.3575      1.99976
      5       5.7127      1.99177
      6       6.7783      0.01133
      7       8.6153      0.00000
      8       9.4658      0.00000
      9       9.8158      0.00000
     10      11.1059      0.00000
     11      12.0309      0.00000
     12      13.1949      0.00000

 k-point   266 :      -0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1      -1.8765      2.00000
      2      -0.3565      2.00000
      3       4.2950      2.00000
      4       5.2329      1.99993
      5       5.4743      1.99924
      6       6.8468      0.00573
      7       8.5027      0.00000
      8       9.2442      0.00000
      9      10.0881      0.00000
     10      11.3531      0.00000
     11      12.0839      0.00000
     12      13.0052      0.00000

 k-point   267 :      -0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.2507      2.00000
      2       0.2315      2.00000
      3       4.0240      2.00000
      4       4.9792      1.99999
      5       5.7459      1.98854
      6       7.3818      0.00003
      7       8.1314      0.00000
      8       9.0954      0.00000
      9      10.6293      0.00000
     10      11.1448      0.00000
     11      12.5769      0.00000
     12      13.0073      0.00000

 k-point   268 :      -0.3077    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.6418      2.00000
      2       1.0264      2.00000
      3       3.6116      2.00000
      4       4.6289      2.00000
      5       6.4008      0.39820
      6       7.7535      0.00000
      7       8.0926      0.00000
      8       8.9721      0.00000
      9      10.7156      0.00000
     10      11.2756      0.00000
     11      11.6725      0.00000
     12      13.2474      0.00000

 k-point   269 :      -0.2308    0.0769    0.1538
  band No.  band energies     occupation 
      1      -2.9653      2.00000
      2       1.9326      2.00000
      3       3.2525      2.00000
      4       4.3318      2.00000
      5       7.0473      0.00077
      6       7.6130      0.00000
      7       8.4511      0.00000
      8       9.2119      0.00000
      9       9.9415      0.00000
     10      10.6101      0.00000
     11      12.1142      0.00000
     12      13.2449      0.00000

 k-point   270 :      -0.1538    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.2001      2.00000
      2       2.7915      2.00000
      3       3.0972      2.00000
      4       4.1221      2.00000
      5       7.0533      0.00073
      6       8.0081      0.00000
      7       8.2136      0.00000
      8       9.0062      0.00000
      9       9.9506      0.00000
     10      10.5100      0.00000
     11      12.6492      0.00000
     12      13.1693      0.00000

 k-point   271 :      -0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1      -3.3391      2.00000
      2       2.7342      2.00000
      3       3.8187      2.00000
      4       4.1399      2.00000
      5       6.6535      0.03891
      6       7.2672      0.00009
      7       8.5847      0.00000
      8       9.2982      0.00000
      9      10.0272      0.00000
     10      11.2680      0.00000
     11      12.5509      0.00000
     12      13.2732      0.00000

 k-point   272 :      -0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7200      2.00000
      2      -0.2271      2.00000
      3       4.3412      2.00000
      4       4.4563      2.00000
      5       5.0955      1.99998
      6       6.2893      0.86201
      7       9.5736      0.00000
      8       9.8163      0.00000
      9      10.3269      0.00000
     10      10.8351      0.00000
     11      11.5576      0.00000
     12      12.9902      0.00000

 k-point   273 :      -0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0988      2.00000
      2       0.3638      2.00000
      3       3.9142      2.00000
      4       4.2099      2.00000
      5       5.6906      1.99339
      6       6.6600      0.03651
      7       9.1127      0.00000
      8       9.6182      0.00000
      9      10.1089      0.00000
     10      11.5515      0.00000
     11      11.9644      0.00000
     12      13.0811      0.00000

 k-point   274 :      -0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4922      2.00000
      2       1.1565      2.00000
      3       3.4664      2.00000
      4       3.8993      2.00000
      5       6.4698      0.22161
      6       7.2857      0.00007
      7       8.7230      0.00000
      8       9.3533      0.00000
      9       9.7827      0.00000
     10      11.6879      0.00000
     11      12.3352      0.00000
     12      12.7310      0.00000

 k-point   275 :      -0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.8168      2.00000
      2       2.0504      2.00000
      3       3.1022      2.00000
      4       3.6304      2.00000
      5       7.3333      0.00004
      6       7.9962      0.00000
      7       8.4575      0.00000
      8       9.0411      0.00000
      9       9.3627      0.00000
     10      10.4672      0.00000
     11      13.0706      0.00000
     12      13.5412      0.00000

 k-point   276 :      -0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0522      2.00000
      2       2.7942      2.00000
      3       2.9471      2.00000
      4       3.5422      2.00000
      5       8.0859      0.00000
      6       8.1307      0.00000
      7       8.3653      0.00000
      8       8.8981      0.00000
      9       8.9305      0.00000
     10      10.0663      0.00000
     11      13.1996      0.00000
     12      13.7783      0.00000

 k-point   277 :      -0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1916      2.00000
      2       2.6485      2.00000
      3       3.1110      2.00000
      4       4.2071      2.00000
      5       7.0386      0.00084
      6       8.0500      0.00000
      7       8.7199      0.00000
      8       8.9763      0.00000
      9       9.5749      0.00000
     10      10.3972      0.00000
     11      12.6310      0.00000
     12      13.4237      0.00000

 k-point   278 :      -0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4607      2.00000
      2      -0.0175      2.00000
      3       3.3254      2.00000
      4       4.4958      2.00000
      5       4.7207      2.00000
      6       6.1617      1.46139
      7       9.2899      0.00000
      8       9.8628      0.00000
      9      10.8217      0.00000
     10      11.1379      0.00000
     11      11.7585      0.00000
     12      13.5327      0.00000

 k-point   279 :      -0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8481      2.00000
      2       0.5763      2.00000
      3       2.9588      2.00000
      4       4.3479      2.00000
      5       5.2618      1.99991
      6       6.4331      0.30498
      7       9.1202      0.00000
      8       9.4830      0.00000
      9      10.8247      0.00000
     10      11.2230      0.00000
     11      12.3967      0.00000
     12      13.3784      0.00000

 k-point   280 :      -0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2457      2.00000
      2       1.3496      2.00000
      3       2.5979      2.00000
      4       4.0172      2.00000
      5       6.0520      1.78088
      6       7.0036      0.00120
      7       8.7676      0.00000
      8       9.1928      0.00000
      9      10.5623      0.00000
     10      11.6041      0.00000
     11      12.1499      0.00000
     12      13.0572      0.00000

 k-point   281 :      -0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5724      2.00000
      2       1.9998      2.00000
      3       2.5317      2.00000
      4       3.7126      2.00000
      5       6.9476      0.00210
      6       7.6647      0.00000
      7       8.4843      0.00000
      8       8.9486      0.00000
      9       9.9613      0.00000
     10      10.8043      0.00000
     11      12.6245      0.00000
     12      13.1726      0.00000

 k-point   282 :      -0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.8090      2.00000
      2       1.9302      2.00000
      3       3.2049      2.00000
      4       3.6183      2.00000
      5       7.7911      0.00000
      6       8.0038      0.00000
      7       8.4961      0.00000
      8       8.6601      0.00000
      9       9.1987      0.00000
     10      10.4803      0.00000
     11      12.7148      0.00000
     12      13.3846      0.00000

 k-point   283 :      -0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9489      2.00000
      2       1.8094      2.00000
      3       3.2058      2.00000
      4       4.4274      2.00000
      5       7.1905      0.00018
      6       7.9961      0.00000
      7       8.5315      0.00000
      8       9.1068      0.00000
      9       9.6659      0.00000
     10      10.3614      0.00000
     11      11.9211      0.00000
     12      13.3212      0.00000

 k-point   284 :      -0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.1019      2.00000
      2       0.2583      2.00000
      3       2.3776      2.00000
      4       3.8049      2.00000
      5       5.0536      1.99999
      6       6.3001      0.80947
      7       8.3693      0.00000
      8       9.8952      0.00000
      9      10.3960      0.00000
     10      11.9149      0.00000
     11      13.0394      0.00000
     12      13.4612      0.00000

 k-point   285 :      -0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.5042      2.00000
      2       0.8412      2.00000
      3       2.0722      2.00000
      4       4.2153      2.00000
      5       4.9853      1.99999
      6       6.5768      0.08201
      7       8.2319      0.00000
      8       9.7134      0.00000
      9      10.4565      0.00000
     10      12.1939      0.00000
     11      12.8816      0.00000
     12      13.2177      0.00000

 k-point   286 :      -0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.9090      2.00000
      2       1.3676      2.00000
      3       1.9897      2.00000
      4       4.2409      2.00000
      5       5.3514      1.99978
      6       7.1196      0.00038
      7       8.0139      0.00000
      8       9.4685      0.00000
      9      10.9273      0.00000
     10      11.7597      0.00000
     11      12.3912      0.00000
     12      12.9570      0.00000

 k-point   287 :      -0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2395      2.00000
      2       1.2465      2.00000
      3       2.7200      2.00000
      4       3.9778      2.00000
      5       6.1384      1.54805
      6       7.3631      0.00003
      7       8.2585      0.00000
      8       9.2245      0.00000
      9      10.4649      0.00000
     10      11.5702      0.00000
     11      12.1254      0.00000
     12      12.6126      0.00000

 k-point   288 :      -0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4782      2.00000
      2       1.0499      2.00000
      3       3.5647      2.00000
      4       3.8569      2.00000
      5       6.8851      0.00391
      6       7.3712      0.00003
      7       8.8087      0.00000
      8       8.9731      0.00000
      9       9.4315      0.00000
     10      11.7528      0.00000
     11      11.9285      0.00000
     12      12.5180      0.00000

 k-point   289 :      -0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6191      2.00000
      2       0.9239      2.00000
      3       3.5139      2.00000
      4       4.7312      2.00000
      5       6.8208      0.00742
      6       7.8102      0.00000
      7       8.1607      0.00000
      8       8.9622      0.00000
      9      10.0502      0.00000
     10      11.1008      0.00000
     11      11.6528      0.00000
     12      12.7903      0.00000

 k-point   290 :      -0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6546      2.00000
      2       0.5615      2.00000
      3       1.5385      2.00000
      4       3.1754      2.00000
      5       5.4912      1.99910
      6       6.5135      0.14906
      7       7.5426      0.00001
      8       9.4075      0.00000
      9      10.6838      0.00000
     10      12.2111      0.00000
     11      12.8849      0.00000
     12      14.5537      0.00000

 k-point   291 :      -0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0845      2.00000
      2       0.9385      2.00000
      3       1.5089      2.00000
      4       3.6446      2.00000
      5       5.2835      1.99989
      6       6.7787      0.01129
      7       7.4795      0.00001
      8       9.5605      0.00000
      9      10.3535      0.00000
     10      12.2129      0.00000
     11      13.1946      0.00000
     12      14.0275      0.00000

 k-point   292 :      -0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.5024      2.00000
      2       0.7525      2.00000
      3       2.1809      2.00000
      4       4.2092      2.00000
      5       5.0335      1.99999
      6       6.9278      0.00255
      7       7.7508      0.00000
      8       9.7306      0.00000
      9      10.3631      0.00000
     10      11.7724      0.00000
     11      12.7789      0.00000
     12      13.6598      0.00000

 k-point   293 :      -0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8401      2.00000
      2       0.4842      2.00000
      3       3.0885      2.00000
      4       4.2869      2.00000
      5       5.4081      1.99961
      6       6.7598      0.01362
      7       8.5054      0.00000
      8       9.5604      0.00000
      9      10.7096      0.00000
     10      10.9652      0.00000
     11      11.9128      0.00000
     12      13.5184      0.00000

 k-point   294 :      -0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0830      2.00000
      2       0.2761      2.00000
      3       4.0233      2.00000
      4       4.1385      2.00000
      5       6.0396      1.80402
      6       6.7750      0.01171
      7       9.2499      0.00000
      8       9.3642      0.00000
      9       9.5569      0.00000
     10      11.1478      0.00000
     11      11.7027      0.00000
     12      12.9101      0.00000

 k-point   295 :      -0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2260      2.00000
      2       0.1496      2.00000
      3       3.8992      2.00000
      4       5.0825      1.99998
      5       6.1467      1.51864
      6       7.4063      0.00002
      7       8.1674      0.00000
      8       9.1422      0.00000
      9      10.2957      0.00000
     10      10.5163      0.00000
     11      12.1954      0.00000
     12      12.9259      0.00000

 k-point   296 :      -0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1806      2.00000
      2       0.7182      2.00000
      3       0.9517      2.00000
      4       2.7648      2.00000
      5       5.9747      1.89249
      6       6.6798      0.03005
      7       6.8638      0.00483
      8       9.0694      0.00000
      9      11.0401      0.00000
     10      12.0522      0.00000
     11      12.7268      0.00000
     12      14.8266      0.00000

 k-point   297 :      -0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6728      2.00000
      2       0.5022      2.00000
      3       1.6265      2.00000
      4       3.2023      2.00000
      5       5.6667      1.99480
      6       6.6929      0.02642
      7       7.1575      0.00026
      8       9.2492      0.00000
      9      10.6022      0.00000
     10      11.8231      0.00000
     11      13.4546      0.00000
     12      14.4653      0.00000

 k-point   298 :      -0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.1176      2.00000
      2       0.1977      2.00000
      3       2.4845      2.00000
      4       3.8444      2.00000
      5       5.2264      1.99994
      6       6.4926      0.18046
      7       7.8941      0.00000
      8       9.7039      0.00000
      9      10.2540      0.00000
     10      11.4816      0.00000
     11      12.9010      0.00000
     12      14.2551      0.00000

 k-point   299 :      -0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4698      2.00000
      2      -0.0737      2.00000
      3       3.4395      2.00000
      4       4.4845      2.00000
      5       4.9418      2.00000
      6       6.3229      0.70273
      7       8.7602      0.00000
      8       9.8945      0.00000
      9      10.4065      0.00000
     10      10.9140      0.00000
     11      11.4606      0.00000
     12      13.4665      0.00000

 k-point   300 :      -0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7208      2.00000
      2      -0.2775      2.00000
      3       4.3572      2.00000
      4       4.5650      2.00000
      5       5.3032      1.99986
      6       6.3901      0.43319
      7       9.6203      0.00000
      8       9.7306      0.00000
      9       9.7921      0.00000
     10      10.4337      0.00000
     11      11.1491      0.00000
     12      12.8559      0.00000

 k-point   301 :      -0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8680      2.00000
      2      -0.4008      2.00000
      3       4.2639      2.00000
      4       5.3104      1.99985
      5       5.7102      1.99197
      6       6.9064      0.00316
      7       8.4591      0.00000
      8       9.2984      0.00000
      9       9.8796      0.00000
     10      10.7407      0.00000
     11      11.7304      0.00000
     12      12.7930      0.00000

 k-point   302 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1875      2.00000
      2       1.6147      2.00000
      3       4.7670      2.00000
      4       4.7674      2.00000
      5       6.0481      1.78846
      6       7.0557      0.00071
      7       9.2083      0.00000
      8       9.4177      0.00000
      9       9.8422      0.00000
     10      10.7007      0.00000
     11      12.3904      0.00000
     12      13.1373      0.00000

 k-point   303 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1242      2.00000
      2       1.6044      2.00000
      3       4.0124      2.00000
      4       4.8303      2.00000
      5       6.4470      0.27077
      6       7.5584      0.00000
      7       9.2612      0.00000
      8       9.4143      0.00000
      9       9.9344      0.00000
     10      10.6574      0.00000
     11      11.9240      0.00000
     12      12.2701      0.00000

 k-point   304 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.9621      2.00000
      2       1.6547      2.00000
      3       3.0366      2.00000
      4       4.9915      1.99999
      5       6.6127      0.05796
      6       8.4285      0.00000
      7       8.7331      0.00000
      8       9.4985      0.00000
      9      10.1057      0.00000
     10      10.8037      0.00000
     11      11.1510      0.00000
     12      12.4335      0.00000

 k-point   305 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7045      2.00000
      2       1.5733      2.00000
      3       2.3242      2.00000
      4       5.2490      1.99992
      5       6.5242      0.13491
      6       7.8176      0.00000
      7       9.5369      0.00000
      8       9.8297      0.00000
      9       9.9270      0.00000
     10      10.4548      0.00000
     11      11.2232      0.00000
     12      12.4569      0.00000

 k-point   306 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.3597      2.00000
      2       0.9332      2.00000
      3       2.3481      2.00000
      4       5.5985      1.99737
      5       5.9970      1.86748
      6       7.7301      0.00000
      7       8.7849      0.00000
      8       9.9859      0.00000
      9      10.0404      0.00000
     10      11.1482      0.00000
     11      11.4221      0.00000
     12      12.7323      0.00000

 k-point   307 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.9548      2.00000
      2       0.2138      2.00000
      3       2.6542      2.00000
      4       5.2988      1.99987
      5       6.0245      1.82916
      6       7.9321      0.00000
      7       7.9992      0.00000
      8       9.6814      0.00000
      9      10.3919      0.00000
     10      11.2381      0.00000
     11      11.9750      0.00000
     12      13.0096      0.00000

 k-point   308 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.6102      2.00000
      2      -0.2827      2.00000
      3       3.0164      2.00000
      4       4.6857      2.00000
      5       6.4299      0.31334
      6       7.4252      0.00002
      7       8.1050      0.00000
      8       9.4231      0.00000
      9      10.7894      0.00000
     10      11.2140      0.00000
     11      12.3658      0.00000
     12      12.5860      0.00000

 k-point   309 :      -0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1      -1.6838      2.00000
      2      -0.1759      2.00000
      3       3.2003      2.00000
      4       4.4211      2.00000
      5       6.3322      0.66057
      6       7.5526      0.00000
      7       7.9976      0.00000
      8       9.5202      0.00000
      9      11.0173      0.00000
     10      11.0500      0.00000
     11      12.2579      0.00000
     12      12.5527      0.00000

 k-point   310 :      -0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.0704      2.00000
      2       0.4322      2.00000
      3       2.9561      2.00000
      4       4.7628      2.00000
      5       5.8949      1.95015
      6       7.6951      0.00000
      7       8.2192      0.00000
      8       9.8315      0.00000
      9      10.7758      0.00000
     10      10.9204      0.00000
     11      12.3261      0.00000
     12      12.6010      0.00000

 k-point   311 :      -0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.4627      2.00000
      2       1.2243      2.00000
      3       2.5873      2.00000
      4       5.4079      1.99961
      5       5.4878      1.99913
      6       7.3880      0.00003
      7       9.0528      0.00000
      8       9.9552      0.00000
      9      10.3758      0.00000
     10      11.0632      0.00000
     11      11.4467      0.00000
     12      12.5222      0.00000

 k-point   312 :      -0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -2.7843      2.00000
      2       1.9583      2.00000
      3       2.4291      2.00000
      4       5.1643      1.99997
      5       6.1242      1.59585
      6       7.1892      0.00019
      7       9.6239      0.00000
      8       9.8966      0.00000
      9      10.1204      0.00000
     10      10.2507      0.00000
     11      11.4022      0.00000
     12      12.4398      0.00000

 k-point   313 :      -0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.0159      2.00000
      2       1.8757      2.00000
      3       3.2450      2.00000
      4       4.9346      2.00000
      5       6.5139      0.14842
      6       7.4269      0.00002
      7       8.4916      0.00000
      8       9.7051      0.00000
      9       9.9298      0.00000
     10      11.0859      0.00000
     11      11.4721      0.00000
     12      12.7439      0.00000

 k-point   314 :      -0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1      -3.1512      2.00000
      2       1.7070      2.00000
      3       4.2458      2.00000
      4       4.8018      2.00000
      5       6.3338      0.65362
      6       7.3422      0.00004
      7       8.3575      0.00000
      8       9.5154      0.00000
      9       9.8450      0.00000
     10      11.2342      0.00000
     11      12.2407      0.00000
     12      12.8940      0.00000

 k-point   315 :       0.0000    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1379      2.00000
      2       1.6558      2.00000
      3       4.1128      2.00000
      4       4.8214      2.00000
      5       6.4189      0.34335
      6       7.4380      0.00002
      7       8.7934      0.00000
      8       9.3061      0.00000
      9       9.9202      0.00000
     10      11.1257      0.00000
     11      12.0631      0.00000
     12      12.5568      0.00000

 k-point   316 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.0745      2.00000
      2       1.6468      2.00000
      3       3.9431      2.00000
      4       4.3267      2.00000
      5       7.0399      0.00083
      6       7.6605      0.00000
      7       8.8318      0.00000
      8       9.3477      0.00000
      9       9.9677      0.00000
     10      11.0579      0.00000
     11      11.3035      0.00000
     12      12.6194      0.00000

 k-point   317 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9123      2.00000
      2       1.7004      2.00000
      3       3.0580      2.00000
      4       4.3905      2.00000
      5       7.2667      0.00009
      6       8.4756      0.00000
      7       8.5361      0.00000
      8       9.2246      0.00000
      9       9.8465      0.00000
     10      10.6419      0.00000
     11      11.6699      0.00000
     12      12.7996      0.00000

 k-point   318 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.6545      2.00000
      2       1.6250      2.00000
      3       2.3522      2.00000
      4       4.6159      2.00000
      5       6.9510      0.00203
      6       8.1342      0.00000
      7       8.7800      0.00000
      8       9.3484      0.00000
      9      10.0689      0.00000
     10      10.8215      0.00000
     11      11.8236      0.00000
     12      12.7981      0.00000

 k-point   319 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.3094      2.00000
      2       0.9812      2.00000
      3       2.3850      2.00000
      4       4.9105      2.00000
      5       6.2391      1.11170
      6       8.0694      0.00000
      7       8.3719      0.00000
      8       9.4553      0.00000
      9      10.4453      0.00000
     10      11.4957      0.00000
     11      11.8435      0.00000
     12      12.9136      0.00000

 k-point   320 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.9037      2.00000
      2       0.2601      2.00000
      3       2.6963      2.00000
      4       5.0903      1.99998
      5       5.6786      1.99414
      6       7.4212      0.00002
      7       8.6323      0.00000
      8       9.7465      0.00000
      9      10.3153      0.00000
     10      11.3182      0.00000
     11      12.5505      0.00000
     12      12.6345      0.00000

 k-point   321 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.5577      2.00000
      2      -0.2382      2.00000
      3       3.0635      2.00000
      4       4.6796      2.00000
      5       5.7756      1.98461
      6       6.9507      0.00203
      7       8.8749      0.00000
      8       9.9159      0.00000
      9      10.2079      0.00000
     10      11.2734      0.00000
     11      11.9629      0.00000
     12      12.9778      0.00000

 k-point   322 :      -0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1      -1.6317      2.00000
      2      -0.1311      2.00000
      3       3.2511      2.00000
      4       4.4247      2.00000
      5       5.6711      1.99456
      6       7.0669      0.00064
      7       8.7597      0.00000
      8      10.0520      0.00000
      9      10.3486      0.00000
     10      11.0836      0.00000
     11      11.7960      0.00000
     12      13.2826      0.00000

 k-point   323 :      -0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.0196      2.00000
      2       0.4782      2.00000
      3       3.0013      2.00000
      4       4.7214      2.00000
      5       5.3503      1.99978
      6       7.6483      0.00000
      7       8.4195      0.00000
      8      10.0995      0.00000
      9      10.2946      0.00000
     10      11.1392      0.00000
     11      12.1148      0.00000
     12      12.9681      0.00000

 k-point   324 :      -0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.4126      2.00000
      2       1.2711      2.00000
      3       2.6265      2.00000
      4       4.7917      2.00000
      5       5.5721      1.99798
      6       8.0220      0.00000
      7       8.4566      0.00000
      8       9.7502      0.00000
      9      10.1805      0.00000
     10      11.5465      0.00000
     11      11.7514      0.00000
     12      12.6546      0.00000

 k-point   325 :      -0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.7344      2.00000
      2       2.0104      2.00000
      3       2.4571      2.00000
      4       4.5326      2.00000
      5       6.3159      0.73476
      6       7.7560      0.00000
      7       9.1458      0.00000
      8       9.4962      0.00000
      9       9.7544      0.00000
     10      10.5480      0.00000
     11      12.1241      0.00000
     12      12.8334      0.00000

 k-point   326 :      -0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1      -2.9662      2.00000
      2       1.9193      2.00000
      3       3.2679      2.00000
      4       4.3313      2.00000
      5       7.0491      0.00076
      6       7.6189      0.00000
      7       8.4675      0.00000
      8       9.2002      0.00000
      9       9.9233      0.00000
     10      10.6145      0.00000
     11      12.1057      0.00000
     12      13.2620      0.00000

 k-point   327 :      -0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1      -3.1015      2.00000
      2       1.7484      2.00000
      3       4.0815      2.00000
      4       4.3829      2.00000
      5       6.8681      0.00463
      6       7.5378      0.00001
      7       8.3323      0.00000
      8       9.0347      0.00000
      9       9.9432      0.00000
     10      11.4924      0.00000
     11      11.7592      0.00000
     12      13.0705      0.00000

 k-point   328 :       0.0000    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9896      2.00000
      2       1.7656      2.00000
      3       3.1250      2.00000
      4       4.9674      2.00000
      5       6.5958      0.06828
      6       7.9106      0.00000
      7       8.5909      0.00000
      8       9.4356      0.00000
      9      10.0397      0.00000
     10      10.9335      0.00000
     11      11.5240      0.00000
     12      12.6656      0.00000

 k-point   329 :       0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9261      2.00000
      2       1.7621      2.00000
      3       3.1446      2.00000
      4       4.2813      2.00000
      5       7.2432      0.00011
      6       8.0801      0.00000
      7       8.6022      0.00000
      8       9.5065      0.00000
      9       9.7962      0.00000
     10      10.6159      0.00000
     11      11.5660      0.00000
     12      13.2284      0.00000

 k-point   330 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.7636      2.00000
      2       1.8297      2.00000
      3       2.9803      2.00000
      4       3.6068      2.00000
      5       7.6601      0.00000
      6       8.1697      0.00000
      7       8.8469      0.00000
      8       9.0418      0.00000
      9       9.4063      0.00000
     10      10.7353      0.00000
     11      12.2838      0.00000
     12      13.4428      0.00000

 k-point   331 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5052      2.00000
      2       1.7795      2.00000
      3       2.4063      2.00000
      4       3.6710      2.00000
      5       7.2410      0.00011
      6       7.7382      0.00000
      7       8.4550      0.00000
      8       9.2537      0.00000
      9      10.2631      0.00000
     10      11.1370      0.00000
     11      12.7600      0.00000
     12      13.4389      0.00000

 k-point   332 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.1589      2.00000
      2       1.1234      2.00000
      3       2.4833      2.00000
      4       3.9395      2.00000
      5       6.3553      0.56291
      6       7.1928      0.00018
      7       8.5085      0.00000
      8       9.5441      0.00000
      9      10.8307      0.00000
     10      12.1612      0.00000
     11      12.3353      0.00000
     12      12.7045      0.00000

 k-point   333 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.7509      2.00000
      2       0.3975      2.00000
      3       2.8162      2.00000
      4       4.2609      2.00000
      5       5.5340      1.99862
      6       6.5881      0.07358
      7       8.8044      0.00000
      8       9.8892      0.00000
      9      11.0993      0.00000
     10      11.6080      0.00000
     11      11.8322      0.00000
     12      13.4391      0.00000

 k-point   334 :       0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4003      2.00000
      2      -0.1058      2.00000
      3       3.2022      2.00000
      4       4.4944      2.00000
      5       4.8767      2.00000
      6       6.2028      1.28545
      7       9.1306      0.00000
      8      10.1923      0.00000
      9      10.9035      0.00000
     10      11.2231      0.00000
     11      11.4372      0.00000
     12      13.4796      0.00000

 k-point   335 :      -0.4615    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.4757      2.00000
      2       0.0020      2.00000
      3       3.4028      2.00000
      4       4.3569      2.00000
      5       4.6814      2.00000
      6       6.2775      0.92036
      7       9.2953      0.00000
      8      10.0712      0.00000
      9      10.7414      0.00000
     10      10.9070      0.00000
     11      11.7081      0.00000
     12      13.7282      0.00000

 k-point   336 :      -0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1      -1.8678      2.00000
      2       0.6144      2.00000
      3       3.1300      2.00000
      4       4.1357      2.00000
      5       4.9910      1.99999
      6       6.7726      0.01200
      7       9.1191      0.00000
      8       9.6612      0.00000
      9      10.6255      0.00000
     10      11.1815      0.00000
     11      12.1873      0.00000
     12      13.5150      0.00000

 k-point   337 :      -0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.2627      2.00000
      2       1.4084      2.00000
      3       2.7292      2.00000
      4       3.8398      2.00000
      5       5.6601      1.99513
      6       7.4684      0.00001
      7       8.7878      0.00000
      8       9.2952      0.00000
      9      10.4005      0.00000
     10      11.5881      0.00000
     11      12.1459      0.00000
     12      12.8365      0.00000

 k-point   338 :      -0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.5854      2.00000
      2       2.1667      2.00000
      3       2.5049      2.00000
      4       3.5946      2.00000
      5       6.4713      0.21876
      6       8.1110      0.00000
      7       8.6324      0.00000
      8       8.9762      0.00000
      9       9.8908      0.00000
     10      10.7367      0.00000
     11      12.6804      0.00000
     12      13.2463      0.00000

 k-point   339 :      -0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.8178      2.00000
      2       2.0369      2.00000
      3       3.1093      2.00000
      4       3.6383      2.00000
      5       7.3344      0.00004
      6       7.9957      0.00000
      7       8.4713      0.00000
      8       9.0450      0.00000
      9       9.3627      0.00000
     10      10.4487      0.00000
     11      13.0636      0.00000
     12      13.5452      0.00000

 k-point   340 :      -0.0769    0.1538    0.2308
  band No.  band energies     occupation 
      1      -2.9533      2.00000
      2       1.8580      2.00000
      3       3.1494      2.00000
      4       4.4701      2.00000
      5       7.1409      0.00030
      6       7.9320      0.00000
      7       8.3476      0.00000
      8       8.9263      0.00000
      9       9.9899      0.00000
     10      10.5891      0.00000
     11      12.3848      0.00000
     12      13.0767      0.00000

 k-point   341 :      -0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.2172      2.00000
      2       0.2183      2.00000
      3       3.5434      2.00000
      4       3.6570      2.00000
      5       4.3118      2.00000
      6       5.6840      1.99382
      7       8.2891      0.00000
      8       9.9880      0.00000
      9      11.2818      0.00000
     10      11.5952      0.00000
     11      12.5878      0.00000
     12      14.1653      0.00000

 k-point   342 :      -0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.6171      2.00000
      2       0.8340      2.00000
      3       3.0938      2.00000
      4       3.4444      2.00000
      5       4.9349      2.00000
      6       6.0287      1.82251
      7       8.1476      0.00000
      8      10.1902      0.00000
      9      10.8348      0.00000
     10      11.4014      0.00000
     11      13.2594      0.00000
     12      13.7496      0.00000

 k-point   343 :      -0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.0156      2.00000
      2       1.6170      2.00000
      3       2.6448      2.00000
      4       3.1815      2.00000
      5       5.7277      1.99044
      6       6.5921      0.07076
      7       7.9095      0.00000
      8      10.4200      0.00000
      9      10.6261      0.00000
     10      11.1542      0.00000
     11      12.3253      0.00000
     12      13.8744      0.00000

 k-point   344 :      -0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3401      2.00000
      2       2.2291      2.00000
      3       2.4269      2.00000
      4       3.0732      2.00000
      5       6.5813      0.07856
      6       7.0886      0.00051
      7       7.9257      0.00000
      8      10.1312      0.00000
      9      10.1690      0.00000
     10      10.9434      0.00000
     11      11.9932      0.00000
     12      13.8594      0.00000

 k-point   345 :      -0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5734      2.00000
      2       1.9927      2.00000
      3       2.5261      2.00000
      4       3.7266      2.00000
      5       6.9380      0.00231
      6       7.6703      0.00000
      7       8.5014      0.00000
      8       8.9701      0.00000
      9       9.9384      0.00000
     10      10.7941      0.00000
     11      12.6298      0.00000
     12      13.1908      0.00000

 k-point   346 :      -0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7094      2.00000
      2       1.8247      2.00000
      3       2.4278      2.00000
      4       4.6840      2.00000
      5       6.7136      0.02153
      6       7.7638      0.00000
      7       8.6982      0.00000
      8       9.4554      0.00000
      9       9.8119      0.00000
     10      10.5894      0.00000
     11      12.1336      0.00000
     12      13.0945      0.00000

 k-point   347 :      -0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8599      2.00000
      2       0.5048      2.00000
      3       2.6117      2.00000
      4       3.8133      2.00000
      5       4.0417      2.00000
      6       5.5046      1.99897
      7       7.3570      0.00003
      8       9.3075      0.00000
      9      11.6755      0.00000
     10      12.9697      0.00000
     11      13.5185      0.00000
     12      14.6987      0.00000

 k-point   348 :      -0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2730      2.00000
      2       1.1110      2.00000
      3       2.2694      2.00000
      4       3.6500      2.00000
      5       4.6083      2.00000
      6       5.7490      1.98818
      7       7.2656      0.00009
      8       9.5165      0.00000
      9      11.2960      0.00000
     10      12.7194      0.00000
     11      13.8980      0.00000
     12      14.0717      0.00000

 k-point   349 :      -0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6777      2.00000
      2       1.6298      2.00000
      3       2.1729      2.00000
      4       3.3367      2.00000
      5       5.4007      1.99963
      6       6.1620      1.46033
      7       7.1925      0.00018
      8      10.0146      0.00000
      9      10.9620      0.00000
     10      12.0445      0.00000
     11      12.8467      0.00000
     12      13.9821      0.00000

 k-point   350 :      -0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.0054      2.00000
      2       1.4564      2.00000
      3       2.7893      2.00000
      4       3.1888      2.00000
      5       6.1404      1.54100
      6       6.4727      0.21601
      7       7.5452      0.00001
      8      10.4769      0.00000
      9      10.5310      0.00000
     10      11.0845      0.00000
     11      12.4263      0.00000
     12      13.4509      0.00000

 k-point   351 :      -0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2404      2.00000
      2       1.2449      2.00000
      3       2.7077      2.00000
      4       3.9923      2.00000
      5       6.1288      1.58088
      6       7.3752      0.00003
      7       8.2645      0.00000
      8       9.2531      0.00000
      9      10.4328      0.00000
     10      11.5731      0.00000
     11      12.1340      0.00000
     12      12.6200      0.00000

 k-point   352 :      -0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3772      2.00000
      2       1.1129      2.00000
      3       2.5496      2.00000
      4       4.9455      2.00000
      5       5.9941      1.87105
      6       7.9940      0.00000
      7       8.3974      0.00000
      8       9.2137      0.00000
      9      10.1972      0.00000
     10      11.4757      0.00000
     11      11.8231      0.00000
     12      12.6997      0.00000

 k-point   353 :      -0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.4148      2.00000
      2       0.8239      2.00000
      3       1.7795      2.00000
      4       3.2730      2.00000
      5       4.4631      2.00000
      6       5.5686      1.99805
      7       6.5222      0.13742
      8       8.7778      0.00000
      9      12.0762      0.00000
     10      13.6237      0.00000
     11      14.2153      0.00000
     12      14.8151      0.00000

 k-point   354 :      -0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.8525      2.00000
      2       1.1992      2.00000
      3       1.7392      2.00000
      4       3.6573      2.00000
      5       4.3861      2.00000
      6       5.7865      1.98285
      7       6.5337      0.12348
      8       8.9683      0.00000
      9      11.6814      0.00000
     10      13.4811      0.00000
     11      14.1916      0.00000
     12      14.4914      0.00000

 k-point   355 :      -0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2687      2.00000
      2       0.9754      2.00000
      3       2.4348      2.00000
      4       3.6304      2.00000
      5       4.7422      2.00000
      6       5.9352      1.92629
      7       6.8872      0.00383
      8       9.4438      0.00000
      9      11.3305      0.00000
     10      12.5023      0.00000
     11      13.4532      0.00000
     12      14.2093      0.00000

 k-point   356 :      -0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.6026      2.00000
      2       0.6958      2.00000
      3       3.2516      2.00000
      4       3.4313      2.00000
      5       5.2837      1.99989
      6       6.0711      1.74089
      7       7.6240      0.00000
      8      10.0778      0.00000
      9      10.9186      0.00000
     10      11.2162      0.00000
     11      12.7593      0.00000
     12      13.8378      0.00000

 k-point   357 :      -0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8410      2.00000
      2       0.4830      2.00000
      3       3.0749      2.00000
      4       4.2996      2.00000
      5       5.4021      1.99963
      6       6.7718      0.01209
      7       8.5092      0.00000
      8       9.5922      0.00000
      9      10.6818      0.00000
     10      10.9737      0.00000
     11      11.9138      0.00000
     12      13.5068      0.00000

 k-point   358 :      -0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9795      2.00000
      2       0.3555      2.00000
      3       2.8985      2.00000
      4       4.9462      2.00000
      5       5.6571      1.99527
      6       7.6560      0.00000
      7       8.3708      0.00000
      8       9.4764      0.00000
      9      10.1784      0.00000
     10      11.1618      0.00000
     11      11.9758      0.00000
     12      13.1882      0.00000

 k-point   359 :      -0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.0550      2.00000
      2       0.9758      2.00000
      3       1.2248      2.00000
      4       2.8673      2.00000
      5       4.9541      2.00000
      6       5.6567      1.99529
      7       5.8333      1.97277
      8       8.4771      0.00000
      9      12.4611      0.00000
     10      13.4369      0.00000
     11      14.1797      0.00000
     12      16.0024      0.00000

 k-point   360 :      -0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.4382      2.00000
      2       0.7306      2.00000
      3       1.9131      2.00000
      4       3.3121      2.00000
      5       4.6408      2.00000
      6       5.6840      1.99381
      7       6.1787      1.39206
      8       8.6503      0.00000
      9      12.0295      0.00000
     10      13.1177      0.00000
     11      14.6137      0.00000
     12      14.9059      0.00000

 k-point   361 :      -0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8783      2.00000
      2       0.4114      2.00000
      3       2.7695      2.00000
      4       3.8254      2.00000
      5       4.2870      2.00000
      6       5.6125      1.99697
      7       6.9236      0.00266
      8       9.0905      0.00000
      9      11.6661      0.00000
     10      12.5928      0.00000
     11      13.1241      0.00000
     12      14.7997      0.00000

 k-point   362 :      -0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.2250      2.00000
      2       0.1325      2.00000
      3       3.6245      2.00000
      4       3.7972      2.00000
      5       4.5404      2.00000
      6       5.7474      1.98837
      7       7.7981      0.00000
      8       9.7088      0.00000
      9      11.3188      0.00000
     10      11.4452      0.00000
     11      12.0848      0.00000
     12      13.9215      0.00000

 k-point   363 :      -0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4706      2.00000
      2      -0.0748      2.00000
      3       3.4250      2.00000
      4       4.4837      2.00000
      5       4.9521      2.00000
      6       6.3330      0.65718
      7       8.7634      0.00000
      8       9.9273      0.00000
      9      10.4177      0.00000
     10      10.9067      0.00000
     11      11.4337      0.00000
     12      13.4491      0.00000

 k-point   364 :      -0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6125      2.00000
      2      -0.1987      2.00000
      3       3.2349      2.00000
      4       4.5463      2.00000
      5       5.9002      1.94752
      6       7.1176      0.00038
      7       8.6703      0.00000
      8       9.7247      0.00000
      9       9.9207      0.00000
     10      11.1784      0.00000
     11      11.4709      0.00000
     12      13.1820      0.00000

 k-point   365 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8598      2.00000
      2       0.7117      2.00000
      3       5.0895      1.99998
      4       5.1029      1.99998
      5       6.4187      0.34394
      6       7.2269      0.00013
      7       8.3367      0.00000
      8       8.4834      0.00000
      9       9.8056      0.00000
     10      11.2365      0.00000
     11      12.0431      0.00000
     12      13.3972      0.00000

 k-point   366 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.7922      2.00000
      2       0.7117      2.00000
      3       4.2960      2.00000
      4       5.1706      1.99996
      5       6.7313      0.01808
      6       7.8047      0.00000
      7       8.3662      0.00000
      8       8.4878      0.00000
      9       9.8299      0.00000
     10      11.3388      0.00000
     11      11.9636      0.00000
     12      12.1887      0.00000

 k-point   367 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6251      2.00000
      2       0.7926      2.00000
      3       3.2866      2.00000
      4       5.3359      1.99981
      5       6.6137      0.05744
      6       7.8177      0.00000
      7       8.5878      0.00000
      8       8.9682      0.00000
      9      10.4867      0.00000
     10      11.0653      0.00000
     11      11.5018      0.00000
     12      12.1877      0.00000

 k-point   368 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.3611      2.00000
      2       0.9250      2.00000
      3       2.3583      2.00000
      4       5.5972      1.99740
      5       5.9992      1.86471
      6       7.7293      0.00000
      7       8.7753      0.00000
      8       9.9966      0.00000
      9      10.0518      0.00000
     10      11.1695      0.00000
     11      11.4045      0.00000
     12      12.7238      0.00000

 k-point   369 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.0082      2.00000
      2       0.9162      2.00000
      3       1.7448      2.00000
      4       5.2055      1.99995
      5       5.9501      1.91498
      6       7.9388      0.00000
      7       8.9176      0.00000
      8       9.2837      0.00000
      9      10.2551      0.00000
     10      11.2763      0.00000
     11      12.2152      0.00000
     12      13.0900      0.00000

 k-point   370 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.5920      2.00000
      2       0.4189      2.00000
      3       1.8127      2.00000
      4       4.4553      2.00000
      5       6.3780      0.47571
      6       8.2401      0.00000
      7       8.2846      0.00000
      8       9.4962      0.00000
      9       9.9518      0.00000
     10      11.4456      0.00000
     11      12.3107      0.00000
     12      12.7053      0.00000

 k-point   371 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.2386      2.00000
      2      -0.0393      2.00000
      3       2.1051      2.00000
      4       3.8594      2.00000
      5       6.7746      0.01176
      6       7.7365      0.00000
      7       8.4590      0.00000
      8       9.6936      0.00000
      9       9.8883      0.00000
     10      11.6172      0.00000
     11      11.6196      0.00000
     12      12.7679      0.00000

 k-point   372 :      -0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.3409      2.00000
      2       0.1135      2.00000
      3       2.2357      2.00000
      4       3.6413      2.00000
      5       6.6478      0.04118
      6       7.9031      0.00000
      7       8.3404      0.00000
      8       9.8571      0.00000
      9      10.0942      0.00000
     10      11.3209      0.00000
     11      11.6842      0.00000
     12      12.4756      0.00000

 k-point   373 :      -0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1      -1.7457      2.00000
      2       0.7391      2.00000
      3       2.0130      2.00000
      4       3.9814      2.00000
      5       6.2088      1.25773
      6       8.0105      0.00000
      7       8.5784      0.00000
      8       9.8270      0.00000
      9      10.3153      0.00000
     10      11.5763      0.00000
     11      11.7041      0.00000
     12      12.1553      0.00000

 k-point   374 :      -0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.1425      2.00000
      2       1.3633      2.00000
      3       1.8486      2.00000
      4       4.6276      2.00000
      5       5.8056      1.97929
      6       7.6713      0.00000
      7       9.3358      0.00000
      8       9.5021      0.00000
      9      10.6968      0.00000
     10      11.3504      0.00000
     11      11.6777      0.00000
     12      12.4297      0.00000

 k-point   375 :      -0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.4641      2.00000
      2       1.2150      2.00000
      3       2.5984      2.00000
      4       5.4107      1.99960
      5       5.4866      1.99914
      6       7.3874      0.00003
      7       9.0430      0.00000
      8       9.9799      0.00000
      9      10.3871      0.00000
     10      11.0613      0.00000
     11      11.4221      0.00000
     12      12.5218      0.00000

 k-point   376 :      -0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.6942      2.00000
      2       0.9712      2.00000
      3       3.5953      2.00000
      4       5.2615      1.99991
      5       6.2357      1.12865
      6       7.1934      0.00018
      7       8.7003      0.00000
      8       8.7638      0.00000
      9      10.7531      0.00000
     10      11.4452      0.00000
     11      11.4554      0.00000
     12      12.8602      0.00000

 k-point   377 :      -0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1      -2.8269      2.00000
      2       0.7987      2.00000
      3       4.6120      2.00000
      4       5.1333      1.99997
      5       6.6259      0.05100
      6       7.2692      0.00008
      7       7.8123      0.00000
      8       8.5757      0.00000
      9      10.3793      0.00000
     10      11.3401      0.00000
     11      12.3918      0.00000
     12      12.6032      0.00000

 k-point   378 :       0.0000    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.8097      2.00000
      2       0.7552      2.00000
      3       4.4409      2.00000
      4       5.1451      1.99997
      5       6.7116      0.02197
      6       7.5836      0.00000
      7       7.9799      0.00000
      8       8.4762      0.00000
      9      10.2489      0.00000
     10      11.3273      0.00000
     11      12.1059      0.00000
     12      12.4297      0.00000

 k-point   379 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7421      2.00000
      2       0.7557      2.00000
      3       4.2581      2.00000
      4       4.6178      2.00000
      5       7.3098      0.00006
      6       7.6279      0.00000
      7       8.1717      0.00000
      8       8.5638      0.00000
      9      10.2642      0.00000
     10      11.2160      0.00000
     11      11.6033      0.00000
     12      12.3669      0.00000

 k-point   380 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.5749      2.00000
      2       0.8379      2.00000
      3       3.3171      2.00000
      4       4.7011      2.00000
      5       7.0241      0.00098
      6       7.8481      0.00000
      7       8.2411      0.00000
      8       9.2733      0.00000
      9      10.3556      0.00000
     10      10.9159      0.00000
     11      11.7551      0.00000
     12      12.5013      0.00000

 k-point   381 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.3108      2.00000
      2       0.9730      2.00000
      3       2.3953      2.00000
      4       4.9095      2.00000
      5       6.2413      1.10098
      6       8.0620      0.00000
      7       8.3716      0.00000
      8       9.4643      0.00000
      9      10.4647      0.00000
     10      11.5013      0.00000
     11      11.8238      0.00000
     12      12.9145      0.00000

 k-point   382 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.9576      2.00000
      2       0.9681      2.00000
      3       1.7817      2.00000
      4       4.9972      1.99999
      5       5.6358      1.99617
      6       8.1986      0.00000
      7       8.4932      0.00000
      8       8.9120      0.00000
      9      11.0069      0.00000
     10      11.7858      0.00000
     11      12.2998      0.00000
     12      12.4804      0.00000

 k-point   383 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.5408      2.00000
      2       0.4678      2.00000
      3       1.8555      2.00000
      4       4.4521      2.00000
      5       5.8060      1.97919
      6       7.6697      0.00000
      7       8.8447      0.00000
      8       9.0307      0.00000
      9      10.6715      0.00000
     10      11.7030      0.00000
     11      12.1387      0.00000
     12      12.7786      0.00000

 k-point   384 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.1862      2.00000
      2       0.0072      2.00000
      3       2.1533      2.00000
      4       3.8766      2.00000
      5       6.1095      1.64113
      6       7.2117      0.00015
      7       9.1999      0.00000
      8       9.2700      0.00000
      9      10.2821      0.00000
     10      11.2075      0.00000
     11      12.3335      0.00000
     12      12.8269      0.00000

 k-point   385 :      -0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.2890      2.00000
      2       0.1602      2.00000
      3       2.2870      2.00000
      4       3.6589      2.00000
      5       5.9901      1.87580
      6       7.3684      0.00003
      7       9.0825      0.00000
      8       9.4343      0.00000
      9      10.3563      0.00000
     10      11.0382      0.00000
     11      12.4159      0.00000
     12      12.5906      0.00000

 k-point   386 :      -0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1      -1.6948      2.00000
      2       0.7873      2.00000
      3       2.0595      2.00000
      4       3.9948      2.00000
      5       5.6046      1.99720
      6       7.9782      0.00000
      7       8.7273      0.00000
      8       9.2045      0.00000
      9      10.9306      0.00000
     10      11.2660      0.00000
     11      12.2021      0.00000
     12      12.3619      0.00000

 k-point   387 :      -0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.0921      2.00000
      2       1.4157      2.00000
      3       1.8867      2.00000
      4       4.5890      2.00000
      5       5.2842      1.99989
      6       8.3359      0.00000
      7       8.6239      0.00000
      8       9.0264      0.00000
      9      11.3248      0.00000
     10      11.7627      0.00000
     11      11.8177      0.00000
     12      11.8847      0.00000

 k-point   388 :      -0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.4139      2.00000
      2       1.2617      2.00000
      3       2.6377      2.00000
      4       4.7909      2.00000
      5       5.5745      1.99793
      6       8.0205      0.00000
      7       8.4500      0.00000
      8       9.7608      0.00000
      9      10.2079      0.00000
     10      11.5200      0.00000
     11      11.7394      0.00000
     12      12.6616      0.00000

 k-point   389 :      -0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.6441      2.00000
      2       1.0158      2.00000
      3       3.6263      2.00000
      4       4.6271      2.00000
      5       6.4061      0.38156
      6       7.7547      0.00000
      7       8.0911      0.00000
      8       8.9901      0.00000
      9      10.7264      0.00000
     10      11.2579      0.00000
     11      11.6483      0.00000
     12      13.2651      0.00000

 k-point   390 :      -0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1      -2.7768      2.00000
      2       0.8424      2.00000
      3       4.4352      2.00000
      4       4.7095      2.00000
      5       7.1405      0.00030
      6       7.3277      0.00005
      7       7.7177      0.00000
      8       8.4335      0.00000
      9      10.8679      0.00000
     10      11.3663      0.00000
     11      11.8078      0.00000
     12      12.5752      0.00000

 k-point   391 :       0.0000    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6601      2.00000
      2       0.8821      2.00000
      3       3.4274      2.00000
      4       5.2909      1.99988
      5       6.4711      0.21905
      6       7.4666      0.00001
      7       8.5612      0.00000
      8       8.8612      0.00000
      9      10.7820      0.00000
     10      11.1480      0.00000
     11      11.5901      0.00000
     12      12.5519      0.00000

 k-point   392 :       0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.5924      2.00000
      2       0.8843      2.00000
      3       3.4611      2.00000
      4       4.5416      2.00000
      5       6.7096      0.02241
      6       8.1279      0.00000
      7       8.3183      0.00000
      8       9.1375      0.00000
      9      10.3176      0.00000
     10      10.8383      0.00000
     11      11.8175      0.00000
     12      12.8339      0.00000

 k-point   393 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4249      2.00000
      2       0.9708      2.00000
      3       3.3044      2.00000
      4       3.8367      2.00000
      5       6.8116      0.00814
      6       7.5082      0.00001
      7       9.1232      0.00000
      8       9.3535      0.00000
      9       9.6759      0.00000
     10      11.6063      0.00000
     11      11.9919      0.00000
     12      12.9669      0.00000

 k-point   394 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.1603      2.00000
      2       1.1149      2.00000
      3       2.4936      2.00000
      4       3.9385      2.00000
      5       6.3563      0.55872
      6       7.1880      0.00019
      7       8.5170      0.00000
      8       9.5443      0.00000
      9      10.8577      0.00000
     10      12.1356      0.00000
     11      12.3350      0.00000
     12      12.7041      0.00000

 k-point   395 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.8063      2.00000
      2       1.1236      2.00000
      3       1.8869      2.00000
      4       4.1912      2.00000
      5       5.5600      1.99821
      6       7.1326      0.00033
      7       7.9690      0.00000
      8       9.8541      0.00000
      9      11.6230      0.00000
     10      11.9760      0.00000
     11      12.6558      0.00000
     12      12.7222      0.00000

 k-point   396 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.3876      2.00000
      2       0.6136      2.00000
      3       1.9813      2.00000
      4       4.2966      2.00000
      5       5.0275      1.99999
      6       6.6979      0.02516
      7       8.0150      0.00000
      8      10.1730      0.00000
      9      10.9309      0.00000
     10      11.8923      0.00000
     11      12.9493      0.00000
     12      13.2114      0.00000

 k-point   397 :       0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.0290      2.00000
      2       0.1455      2.00000
      3       2.2968      2.00000
      4       3.9115      2.00000
      5       5.0658      1.99999
      6       6.3257      0.68976
      7       8.2606      0.00000
      8      10.1964      0.00000
      9      10.5952      0.00000
     10      11.6172      0.00000
     11      12.9467      0.00000
     12      13.5853      0.00000

 k-point   398 :      -0.4615    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.1335      2.00000
      2       0.2991      2.00000
      3       2.4406      2.00000
      4       3.6992      2.00000
      5       4.9515      2.00000
      6       6.4666      0.22792
      7       8.3762      0.00000
      8       9.9949      0.00000
      9      10.4679      0.00000
     10      11.7431      0.00000
     11      12.7763      0.00000
     12      13.7088      0.00000

 k-point   399 :      -0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.5428      2.00000
      2       0.9305      2.00000
      3       2.1970      2.00000
      4       3.9716      2.00000
      5       4.6937      2.00000
      6       7.0145      0.00107
      7       8.2202      0.00000
      8       9.9088      0.00000
      9      10.4743      0.00000
     10      12.0208      0.00000
     11      12.6872      0.00000
     12      13.3984      0.00000

 k-point   400 :      -0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1      -1.9415      2.00000
      2       1.5728      2.00000
      3       1.9948      2.00000
      4       4.0457      2.00000
      5       4.9342      2.00000
      6       7.5567      0.00000
      7       8.1268      0.00000
      8       9.6146      0.00000
      9      10.9644      0.00000
     10      11.7026      0.00000
     11      12.3699      0.00000
     12      12.9178      0.00000

 k-point   401 :      -0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.2640      2.00000
      2       1.3988      2.00000
      3       2.7404      2.00000
      4       3.8389      2.00000
      5       5.6624      1.99501
      6       7.4615      0.00001
      7       8.7972      0.00000
      8       9.2972      0.00000
      9      10.4284      0.00000
     10      11.5697      0.00000
     11      12.1287      0.00000
     12      12.8326      0.00000

 k-point   402 :      -0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.4945      2.00000
      2       1.1457      2.00000
      3       3.4705      2.00000
      4       3.9080      2.00000
      5       6.4725      0.21637
      6       7.2816      0.00007
      7       8.7429      0.00000
      8       9.3609      0.00000
      9       9.7932      0.00000
     10      11.6501      0.00000
     11      12.3328      0.00000
     12      12.7391      0.00000

 k-point   403 :      -0.0769    0.1538    0.3077
  band No.  band energies     occupation 
      1      -2.6273      2.00000
      2       0.9696      2.00000
      3       3.4534      2.00000
      4       4.8099      2.00000
      5       6.7575      0.01394
      6       7.4718      0.00001
      7       7.9767      0.00000
      8       9.0748      0.00000
      9      10.7447      0.00000
     10      11.5094      0.00000
     11      11.6188      0.00000
     12      12.8477      0.00000

 k-point   404 :       0.0000    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.4137      2.00000
      2       1.0706      2.00000
      3       2.4662      2.00000
      4       5.5323      1.99864
      5       5.7130      1.99174
      6       7.5630      0.00000
      7       8.8141      0.00000
      8      10.0397      0.00000
      9      10.1948      0.00000
     10      11.2075      0.00000
     11      11.4753      0.00000
     12      12.6198      0.00000

 k-point   405 :       0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3457      2.00000
      2       1.0782      2.00000
      3       2.5112      2.00000
      4       4.7342      2.00000
      5       5.8423      1.97024
      6       8.3849      0.00000
      7       8.6131      0.00000
      8       9.4309      0.00000
      9      10.2795      0.00000
     10      11.2818      0.00000
     11      11.9631      0.00000
     12      13.0278      0.00000

 k-point   406 :       0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.1776      2.00000
      2       1.1755      2.00000
      3       2.6105      2.00000
      4       3.7730      2.00000
      5       5.9363      1.92554
      6       7.6500      0.00000
      7       8.5455      0.00000
      8       9.6708      0.00000
      9      10.6885      0.00000
     10      12.0334      0.00000
     11      12.1250      0.00000
     12      12.8519      0.00000

 k-point   407 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.9122      2.00000
      2       1.3405      2.00000
      3       2.5143      2.00000
      4       3.1517      2.00000
      5       6.0009      1.86255
      6       6.6722      0.03238
      7       7.7612      0.00000
      8      10.8506      0.00000
      9      11.1247      0.00000
     10      11.6510      0.00000
     11      12.7641      0.00000
     12      13.1124      0.00000

 k-point   408 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.5565      2.00000
      2       1.3815      2.00000
      3       2.0285      2.00000
      4       3.2867      2.00000
      5       5.6110      1.99701
      6       6.1035      1.65857
      7       7.2323      0.00012
      8      10.6498      0.00000
      9      11.3789      0.00000
     10      12.4365      0.00000
     11      13.2771      0.00000
     12      13.6462      0.00000

 k-point   409 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.1343      2.00000
      2       0.8522      2.00000
      3       2.1781      2.00000
      4       3.5833      2.00000
      5       4.8157      2.00000
      6       5.7826      1.98351
      7       7.1471      0.00029
      8       9.9930      0.00000
      9      11.7403      0.00000
     10      12.9284      0.00000
     11      13.3906      0.00000
     12      14.3519      0.00000

 k-point   410 :       0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.7683      2.00000
      2       0.3711      2.00000
      3       2.5306      2.00000
      4       3.8045      2.00000
      5       4.1645      2.00000
      6       5.5094      1.99892
      7       7.2881      0.00007
      8       9.4933      0.00000
      9      12.0414      0.00000
     10      12.8363      0.00000
     11      13.2009      0.00000
     12      14.8527      0.00000

 k-point   411 :      -0.4615    0.2308    0.3077
  band No.  band energies     occupation 
      1      -0.8760      2.00000
      2       0.5258      2.00000
      3       2.6951      2.00000
      4       3.6560      2.00000
      5       4.0123      2.00000
      6       5.6151      1.99689
      7       7.3599      0.00003
      8       9.3180      0.00000
      9      11.8848      0.00000
     10      12.7461      0.00000
     11      13.3161      0.00000
     12      15.0396      0.00000

 k-point   412 :      -0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.2917      2.00000
      2       1.1631      2.00000
      3       2.4135      2.00000
      4       3.4331      2.00000
      5       4.3552      2.00000
      6       6.0727      1.73722
      7       7.2616      0.00009
      8       9.5530      0.00000
      9      11.4834      0.00000
     10      12.5185      0.00000
     11      13.7625      0.00000
     12      14.0358      0.00000

 k-point   413 :      -0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1      -1.6931      2.00000
      2       1.8340      2.00000
      3       2.1315      2.00000
      4       3.1709      2.00000
      5       5.0094      1.99999
      6       6.5229      0.13651
      7       7.2900      0.00007
      8      10.0721      0.00000
      9      11.0878      0.00000
     10      11.9724      0.00000
     11      12.7427      0.00000
     12      14.1378      0.00000

 k-point   414 :      -0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.0169      2.00000
      2       1.6071      2.00000
      3       2.6496      2.00000
      4       3.1870      2.00000
      5       5.7279      1.99042
      6       6.5888      0.07305
      7       7.9180      0.00000
      8      10.4486      0.00000
      9      10.6278      0.00000
     10      11.1469      0.00000
     11      12.2989      0.00000
     12      13.8720      0.00000

 k-point   415 :      -0.1538    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.2480      2.00000
      2       1.3387      2.00000
      3       2.5968      2.00000
      4       4.0306      2.00000
      5       6.0458      1.79278
      6       7.0089      0.00114
      7       8.7836      0.00000
      8       9.2200      0.00000
      9      10.5578      0.00000
     10      11.5893      0.00000
     11      12.1366      0.00000
     12      13.0734      0.00000

 k-point   416 :      -0.0769    0.2308    0.3077
  band No.  band energies     occupation 
      1      -2.3810      2.00000
      2       1.1575      2.00000
      3       2.4971      2.00000
      4       4.9831      1.99999
      5       5.9679      1.89924
      6       7.7173      0.00000
      7       8.1987      0.00000
      8       9.7780      0.00000
      9      10.3524      0.00000
     10      11.6066      0.00000
     11      11.9437      0.00000
     12      12.5221      0.00000

 k-point   417 :      -0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.5200      2.00000
      2       0.8290      2.00000
      3       2.9255      2.00000
      4       3.0459      2.00000
      5       3.7259      2.00000
      6       4.9899      1.99999
      7       6.4212      0.33708
      8       8.6897      0.00000
      9      13.1209      0.00000
     10      13.5015      0.00000
     11      14.4375      0.00000
     12      15.6668      0.00000

 k-point   418 :      -0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.9466      2.00000
      2       1.4638      2.00000
      3       2.4637      2.00000
      4       2.8477      2.00000
      5       4.3629      2.00000
      6       5.2797      1.99989
      7       6.3962      0.41278
      8       8.9006      0.00000
      9      12.6905      0.00000
     10      13.1603      0.00000
     11      14.3645      0.00000
     12      14.9266      0.00000

 k-point   419 :      -0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.3529      2.00000
      2       1.9505      2.00000
      3       2.1983      2.00000
      4       2.7091      2.00000
      5       5.1201      1.99998
      6       5.5682      1.99805
      7       6.5846      0.07611
      8       9.3888      0.00000
      9      12.3096      0.00000
     10      12.3498      0.00000
     11      13.2828      0.00000
     12      14.7849      0.00000

 k-point   420 :      -0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6790      2.00000
      2       1.6244      2.00000
      3       2.1682      2.00000
      4       3.3467      2.00000
      5       5.3946      1.99966
      6       6.1676      1.43809
      7       7.1989      0.00017
      8      10.0204      0.00000
      9      10.9927      0.00000
     10      12.0177      0.00000
     11      12.8373      0.00000
     12      14.0022      0.00000

 k-point   421 :      -0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.9112      2.00000
      2       1.3606      2.00000
      3       1.9838      2.00000
      4       4.2521      2.00000
      5       5.3466      1.99979
      6       7.1276      0.00035
      7       8.0257      0.00000
      8       9.4993      0.00000
      9      10.9326      0.00000
     10      11.7378      0.00000
     11      12.3947      0.00000
     12      12.9644      0.00000

 k-point   422 :      -0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0446      2.00000
      2       1.1952      2.00000
      3       1.8527      2.00000
      4       4.8482      2.00000
      5       5.6046      1.99720
      6       8.0466      0.00000
      7       8.3725      0.00000
      8       8.9633      0.00000
      9      11.1467      0.00000
     10      11.7566      0.00000
     11      11.8667      0.00000
     12      12.2084      0.00000

 k-point   423 :      -0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0766      2.00000
      2       1.1746      2.00000
      3       2.1083      2.00000
      4       3.3268      2.00000
      5       3.5457      2.00000
      6       4.7428      2.00000
      7       5.5803      1.99780
      8       8.2152      0.00000
      9      13.5759      0.00000
     10      14.8830      0.00000
     11      15.2710      0.00000
     12      15.6003      0.00000

 k-point   424 :      -0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.5237      2.00000
      2       1.5546      2.00000
      3       2.0333      2.00000
      4       3.1242      2.00000
      5       4.1189      2.00000
      6       4.8859      2.00000
      7       5.6860      1.99369
      8       8.4003      0.00000
      9      13.1761      0.00000
     10      14.2776      0.00000
     11      14.9609      0.00000
     12      15.1552      0.00000

 k-point   425 :      -0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.9391      2.00000
      2       1.2744      2.00000
      3       2.6625      2.00000
      4       2.8689      2.00000
      5       4.7067      2.00000
      6       5.1173      1.99998
      7       6.1520      1.49900
      8       8.8399      0.00000
      9      12.7422      0.00000
     10      12.9431      0.00000
     11      14.4548      0.00000
     12      14.5629      0.00000

 k-point   426 :      -0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2699      2.00000
      2       0.9736      2.00000
      3       2.4253      2.00000
      4       3.6396      2.00000
      5       4.7384      2.00000
      6       5.9431      1.92046
      7       6.8908      0.00370
      8       9.4476      0.00000
      9      11.3652      0.00000
     10      12.4740      0.00000
     11      13.4645      0.00000
     12      14.2081      0.00000

 k-point   427 :      -0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.5046      2.00000
      2       0.7494      2.00000
      3       2.1704      2.00000
      4       4.2077      2.00000
      5       5.0425      1.99999
      6       6.9399      0.00226
      7       7.7579      0.00000
      8       9.7580      0.00000
      9      10.3751      0.00000
     10      11.7796      0.00000
     11      12.7546      0.00000
     12      13.6697      0.00000

 k-point   428 :      -0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6390      2.00000
      2       0.6159      2.00000
      3       1.9961      2.00000
      4       4.2414      2.00000
      5       5.8944      1.95040
      6       7.9499      0.00000
      7       8.5132      0.00000
      8       8.8089      0.00000
      9      10.5782      0.00000
     10      11.2562      0.00000
     11      12.5416      0.00000
     12      12.6377      0.00000

 k-point   429 :      -0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.3907      2.00000
      2       1.3312      2.00000
      3       1.5913      2.00000
      4       2.9869      2.00000
      5       4.0110      2.00000
      6       4.7161      2.00000
      7       4.8844      2.00000
      8       7.9551      0.00000
      9      13.9722      0.00000
     10      14.8818      0.00000
     11      15.6681      0.00000
     12      16.2577      0.00000

 k-point   430 :      -0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.1030      2.00000
      2       1.0443      2.00000
      3       2.2883      2.00000
      4       3.3505      2.00000
      5       3.7705      2.00000
      6       4.7672      2.00000
      7       5.2891      1.99988
      8       8.1228      0.00000
      9      13.5524      0.00000
     10      14.4426      0.00000
     11      14.9076      0.00000
     12      16.2653      0.00000

 k-point   431 :      -0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.5383      2.00000
      2       0.7019      2.00000
      3       3.0572      2.00000
      4       3.2089      2.00000
      5       3.9612      2.00000
      6       4.9751      1.99999
      7       6.0439      1.79624
      8       8.5246      0.00000
      9      13.1620      0.00000
     10      13.2452      0.00000
     11      13.8772      0.00000
     12      15.3168      0.00000

 k-point   432 :      -0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8796      2.00000
      2       0.4098      2.00000
      3       2.7586      2.00000
      4       3.8256      2.00000
      5       4.2950      2.00000
      6       5.6193      1.99676
      7       6.9267      0.00258
      8       9.0939      0.00000
      9      11.7034      0.00000
     10      12.5998      0.00000
     11      13.0929      0.00000
     12      14.7751      0.00000

 k-point   433 :      -0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.1197      2.00000
      2       0.1950      2.00000
      3       2.4726      2.00000
      4       3.8384      2.00000
      5       5.2417      1.99993
      6       6.5043      0.16216
      7       7.9003      0.00000
      8       9.7142      0.00000
      9      10.2861      0.00000
     10      11.5002      0.00000
     11      12.8582      0.00000
     12      14.2726      0.00000

 k-point   434 :      -0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2563      2.00000
      2       0.0677      2.00000
      3       2.2796      2.00000
      4       3.7669      2.00000
      5       6.2653      0.98153
      6       7.4128      0.00002
      7       8.9203      0.00000
      8       8.9665      0.00000
      9       9.9995      0.00000
     10      10.9579      0.00000
     11      12.7561      0.00000
     12      12.9800      0.00000

 k-point   435 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4706      2.00000
      2      -0.0648      2.00000
      3       5.4915      1.99910
      4       5.5192      1.99881
      5       6.8709      0.00451
      6       7.3051      0.00006
      7       7.6233      0.00000
      8       7.6670      0.00000
      9       8.9750      0.00000
     10      11.4699      0.00000
     11      13.0892      0.00000
     12      13.7232      0.00000

 k-point   436 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4005      2.00000
      2      -0.0555      2.00000
      3       4.6659      2.00000
      4       5.5900      1.99758
      5       6.8660      0.00473
      6       7.6791      0.00000
      7       7.7435      0.00000
      8       8.0549      0.00000
      9       9.0656      0.00000
     10      11.5468      0.00000
     11      12.5347      0.00000
     12      12.9911      0.00000

 k-point   437 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.2290      2.00000
      2       0.0387      2.00000
      3       3.6367      2.00000
      4       5.7579      1.98710
      5       6.1798      1.38727
      6       7.7363      0.00000
      7       7.7885      0.00000
      8       9.0666      0.00000
      9       9.9811      0.00000
     10      11.4172      0.00000
     11      11.9822      0.00000
     12      12.7031      0.00000

 k-point   438 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.9582      2.00000
      2       0.2075      2.00000
      3       2.6643      2.00000
      4       5.3039      1.99986
      5       6.0214      1.83387
      6       7.9287      0.00000
      7       7.9923      0.00000
      8       9.6849      0.00000
      9      10.4019      0.00000
     10      11.2683      0.00000
     11      11.9830      0.00000
     12      13.0247      0.00000

 k-point   439 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.5940      2.00000
      2       0.4145      2.00000
      3       1.8188      2.00000
      4       4.4579      2.00000
      5       6.3762      0.48236
      6       8.2379      0.00000
      7       8.2793      0.00000
      8       9.5029      0.00000
      9       9.9520      0.00000
     10      11.4495      0.00000
     11      12.3137      0.00000
     12      12.7377      0.00000

 k-point   440 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.1579      2.00000
      2       0.4744      2.00000
      3       1.2940      2.00000
      4       3.7160      2.00000
      5       6.8056      0.00864
      6       8.5048      0.00000
      7       8.6136      0.00000
      8       8.8688      0.00000
      9       9.9470      0.00000
     10      11.0696      0.00000
     11      11.4566      0.00000
     12      13.7067      0.00000

 k-point   441 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.7748      2.00000
      2       0.2027      2.00000
      3       1.3306      2.00000
      4       3.1671      2.00000
      5       7.1986      0.00017
      6       8.1036      0.00000
      7       8.9065      0.00000
      8       9.1224      0.00000
      9       9.8143      0.00000
     10      10.7774      0.00000
     11      10.9346      0.00000
     12      13.5085      0.00000

 k-point   442 :      -0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1      -0.9097      2.00000
      2       0.4297      2.00000
      3       1.3712      2.00000
      4       3.0114      2.00000
      5       7.0486      0.00076
      6       8.3069      0.00000
      7       8.7601      0.00000
      8       9.2850      0.00000
      9      10.0692      0.00000
     10      10.5310      0.00000
     11      10.8878      0.00000
     12      13.3896      0.00000

 k-point   443 :      -0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.3411      2.00000
      2       0.9637      2.00000
      3       1.2838      2.00000
      4       3.3520      2.00000
      5       6.6074      0.06106
      6       8.3822      0.00000
      7       8.9618      0.00000
      8       9.0157      0.00000
      9      10.4314      0.00000
     10      10.9600      0.00000
     11      10.9940      0.00000
     12      13.3530      0.00000

 k-point   444 :      -0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1      -1.7475      2.00000
      2       0.7338      2.00000
      3       2.0196      2.00000
      4       3.9842      2.00000
      5       6.2071      1.26557
      6       8.0088      0.00000
      7       8.5728      0.00000
      8       9.8332      0.00000
      9      10.3148      0.00000
     10      11.5817      0.00000
     11      11.7077      0.00000
     12      12.1883      0.00000

 k-point   445 :      -0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.0736      2.00000
      2       0.4254      2.00000
      3       2.9660      2.00000
      4       4.7685      2.00000
      5       5.8920      1.95155
      6       7.6926      0.00000
      7       8.2122      0.00000
      8       9.8413      0.00000
      9      10.7848      0.00000
     10      10.9414      0.00000
     11      12.3305      0.00000
     12      12.6083      0.00000

 k-point   446 :      -0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.3057      2.00000
      2       0.1791      2.00000
      3       3.9966      2.00000
      4       5.6481      1.99567
      5       5.6708      1.99458
      6       7.4387      0.00002
      7       7.9357      0.00000
      8       8.8389      0.00000
      9      10.2311      0.00000
     10      11.8385      0.00000
     11      12.5908      0.00000
     12      12.9507      0.00000

 k-point   447 :      -0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1      -2.4387      2.00000
      2       0.0137      2.00000
      3       5.0332      1.99999
      4       5.5462      1.99844
      5       6.5679      0.08931
      6       7.1642      0.00024
      7       7.7529      0.00000
      8       7.8046      0.00000
      9       9.6365      0.00000
     10      11.8071      0.00000
     11      12.9870      0.00000
     12      13.0929      0.00000

 k-point   448 :       0.0000    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.4197      2.00000
      2      -0.0210      2.00000
      3       4.8445      2.00000
      4       5.5473      1.99842
      5       6.7684      0.01250
      6       7.3222      0.00005
      7       7.7268      0.00000
      8       7.9610      0.00000
      9       9.4402      0.00000
     10      11.6514      0.00000
     11      12.6543      0.00000
     12      13.1714      0.00000

 k-point   449 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3495      2.00000
      2      -0.0114      2.00000
      3       4.6611      2.00000
      4       4.9724      1.99999
      5       6.9124      0.00298
      6       7.3296      0.00005
      7       8.1384      0.00000
      8       8.3241      0.00000
      9       9.4977      0.00000
     10      11.5607      0.00000
     11      11.9516      0.00000
     12      13.2931      0.00000

 k-point   450 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.1780      2.00000
      2       0.0835      2.00000
      3       3.6742      2.00000
      4       5.0655      1.99999
      5       6.3493      0.58739
      6       7.2287      0.00013
      7       8.3885      0.00000
      8       9.4520      0.00000
      9      10.2207      0.00000
     10      10.7271      0.00000
     11      12.1880      0.00000
     12      13.1636      0.00000

 k-point   451 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.9070      2.00000
      2       0.2537      2.00000
      3       2.7064      2.00000
      4       5.0915      1.99998
      5       5.6791      1.99411
      6       7.4158      0.00002
      7       8.6295      0.00000
      8       9.7547      0.00000
      9      10.3217      0.00000
     10      11.3458      0.00000
     11      12.5619      0.00000
     12      12.6414      0.00000

 k-point   452 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.5428      2.00000
      2       0.4634      2.00000
      3       1.8616      2.00000
      4       4.4545      2.00000
      5       5.8042      1.97957
      6       7.6656      0.00000
      7       8.8477      0.00000
      8       9.0314      0.00000
      9      10.6709      0.00000
     10      11.7076      0.00000
     11      12.1429      0.00000
     12      12.8087      0.00000

 k-point   453 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.1064      2.00000
      2       0.5264      2.00000
      3       1.3368      2.00000
      4       3.7358      2.00000
      5       6.1871      1.35579
      6       7.7895      0.00000
      7       8.3863      0.00000
      8       9.3324      0.00000
      9      10.7420      0.00000
     10      10.9019      0.00000
     11      11.7915      0.00000
     12      14.0429      0.00000

 k-point   454 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.7225      2.00000
      2       0.2523      2.00000
      3       1.3794      2.00000
      4       3.1895      2.00000
      5       6.5368      0.11993
      6       7.4934      0.00001
      7       8.5100      0.00000
      8       9.6545      0.00000
      9      10.2145      0.00000
     10      10.6999      0.00000
     11      11.6806      0.00000
     12      13.9385      0.00000

 k-point   455 :      -0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1      -0.8579      2.00000
      2       0.4790      2.00000
      3       1.4229      2.00000
      4       3.0325      2.00000
      5       6.3947      0.41791
      6       7.7045      0.00000
      7       8.6020      0.00000
      8       9.4909      0.00000
      9      10.1131      0.00000
     10      10.8887      0.00000
     11      11.6448      0.00000
     12      13.7684      0.00000

 k-point   456 :      -0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.2900      2.00000
      2       1.0163      2.00000
      3       1.3296      2.00000
      4       3.3733      2.00000
      5       5.9813      1.88567
      6       8.2513      0.00000
      7       8.4734      0.00000
      8       9.0925      0.00000
      9      10.5209      0.00000
     10      11.2201      0.00000
     11      11.7162      0.00000
     12      13.6062      0.00000

 k-point   457 :      -0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1      -1.6967      2.00000
      2       0.7819      2.00000
      3       2.0662      2.00000
      4       3.9976      2.00000
      5       5.6029      1.99725
      6       7.9735      0.00000
      7       8.7259      0.00000
      8       9.2102      0.00000
      9      10.9286      0.00000
     10      11.2739      0.00000
     11      12.2228      0.00000
     12      12.3731      0.00000

 k-point   458 :      -0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.0228      2.00000
      2       0.4713      2.00000
      3       3.0112      2.00000
      4       4.7259      2.00000
      5       5.3484      1.99978
      6       7.6424      0.00000
      7       8.4175      0.00000
      8      10.1078      0.00000
      9      10.3146      0.00000
     10      11.1487      0.00000
     11      12.1210      0.00000
     12      12.9634      0.00000

 k-point   459 :      -0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.2548      2.00000
      2       0.2238      2.00000
      3       4.0372      2.00000
      4       4.9764      1.99999
      5       5.7531      1.98770
      6       7.3761      0.00003
      7       8.1321      0.00000
      8       9.1175      0.00000
      9      10.6317      0.00000
     10      11.1566      0.00000
     11      12.5932      0.00000
     12      12.9829      0.00000

 k-point   460 :      -0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1      -2.3878      2.00000
      2       0.0577      2.00000
      3       4.8635      2.00000
      4       5.0893      1.99998
      5       6.6071      0.06121
      6       7.1265      0.00035
      7       7.6989      0.00000
      8       8.2805      0.00000
      9      10.0557      0.00000
     10      11.8848      0.00000
     11      12.2530      0.00000
     12      13.1128      0.00000

 k-point   461 :       0.0000    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2675      2.00000
      2       0.1086      2.00000
      3       3.8110      2.00000
      4       5.6916      1.99333
      5       5.9176      1.93784
      6       7.4428      0.00001
      7       7.9781      0.00000
      8       8.9869      0.00000
      9      10.1926      0.00000
     10      11.5731      0.00000
     11      12.2427      0.00000
     12      12.8663      0.00000

 k-point   462 :       0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.1972      2.00000
      2       0.1190      2.00000
      3       3.8569      2.00000
      4       4.8667      2.00000
      5       6.0234      1.83085
      6       7.5831      0.00000
      7       8.4744      0.00000
      8       9.2335      0.00000
      9      10.2147      0.00000
     10      10.7521      0.00000
     11      12.3536      0.00000
     12      13.3004      0.00000

 k-point   463 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       0.2163      2.00000
      3       3.7203      2.00000
      4       4.1296      2.00000
      5       6.0055      1.85650
      6       6.8428      0.00596
      7       9.5548      0.00000
      8       9.7462      0.00000
      9       9.8182      0.00000
     10      10.9119      0.00000
     11      12.3542      0.00000
     12      13.0248      0.00000

 k-point   464 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.7542      2.00000
      2       0.3910      2.00000
      3       2.8263      2.00000
      4       4.2585      2.00000
      5       5.5364      1.99858
      6       6.5855      0.07544
      7       8.8132      0.00000
      8       9.8868      0.00000
      9      11.1234      0.00000
     10      11.6123      0.00000
     11      11.8471      0.00000
     12      13.4507      0.00000

 k-point   465 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.3896      2.00000
      2       0.6090      2.00000
      3       1.9876      2.00000
      4       4.2974      2.00000
      5       5.0269      1.99999
      6       6.6952      0.02582
      7       8.0200      0.00000
      8      10.1717      0.00000
      9      10.9324      0.00000
     10      11.8960      0.00000
     11      12.9790      0.00000
     12      13.2126      0.00000

 k-point   466 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.9523      2.00000
      2       0.6824      2.00000
      3       1.4628      2.00000
      4       3.7784      2.00000
      5       5.1979      1.99995
      6       6.7179      0.02064
      7       7.5300      0.00001
      8      10.0440      0.00000
      9      10.7472      0.00000
     10      12.0452      0.00000
     11      12.8933      0.00000
     12      14.1857      0.00000

 k-point   467 :       0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.5658      2.00000
      2       0.4003      2.00000
      3       1.5247      2.00000
      4       3.2520      2.00000
      5       5.4866      1.99914
      6       6.4958      0.17528
      7       7.5253      0.00001
      8       9.5965      0.00000
      9      10.9986      0.00000
     10      11.8750      0.00000
     11      12.9224      0.00000
     12      14.4679      0.00000

 k-point   468 :      -0.4615    0.1538    0.3846
  band No.  band energies     occupation 
      1      -0.7029      2.00000
      2       0.6263      2.00000
      3       1.5779      2.00000
      4       3.0914      2.00000
      5       5.3538      1.99977
      6       6.7122      0.02183
      7       7.5527      0.00000
      8       9.4520      0.00000
      9      10.8515      0.00000
     10      12.1082      0.00000
     11      12.9399      0.00000
     12      14.2379      0.00000

 k-point   469 :      -0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.1372      2.00000
      2       1.1738      2.00000
      3       1.4651      2.00000
      4       3.4269      2.00000
      5       4.9794      1.99999
      6       7.1793      0.00021
      7       7.5360      0.00001
      8       9.6976      0.00000
      9      10.5044      0.00000
     10      12.5141      0.00000
     11      12.9059      0.00000
     12      13.7622      0.00000

 k-point   470 :      -0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.5446      2.00000
      2       0.9250      2.00000
      3       2.2038      2.00000
      4       3.9736      2.00000
      5       4.6925      2.00000
      6       7.0107      0.00111
      7       8.2256      0.00000
      8       9.9083      0.00000
      9      10.4767      0.00000
     10      12.0395      0.00000
     11      12.6986      0.00000
     12      13.3899      0.00000

 k-point   471 :      -0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1      -1.8709      2.00000
      2       0.6074      2.00000
      3       3.1399      2.00000
      4       4.1338      2.00000
      5       4.9946      1.99999
      6       6.7684      0.01251
      7       9.1277      0.00000
      8       9.6606      0.00000
      9      10.6549      0.00000
     10      11.1854      0.00000
     11      12.1881      0.00000
     12      13.4741      0.00000

 k-point   472 :      -0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.1030      2.00000
      2       0.3560      2.00000
      3       3.9142      2.00000
      4       4.2193      2.00000
      5       5.6946      1.99313
      6       6.6594      0.03676
      7       9.1342      0.00000
      8       9.6229      0.00000
      9      10.1205      0.00000
     10      11.5543      0.00000
     11      11.9760      0.00000
     12      13.0637      0.00000

 k-point   473 :      -0.0769    0.1538    0.3846
  band No.  band energies     occupation 
      1      -2.2358      2.00000
      2       0.1879      2.00000
      3       3.8398      2.00000
      4       5.1849      1.99996
      5       6.0449      1.79447
      6       6.9909      0.00136
      7       8.1204      0.00000
      8       9.2875      0.00000
      9      10.7924      0.00000
     10      11.1310      0.00000
     11      12.3412      0.00000
     12      13.0145      0.00000

 k-point   474 :       0.0000    0.2308    0.3846
  band No.  band energies     occupation 
      1      -2.0162      2.00000
      2       0.3163      2.00000
      3       2.8098      2.00000
      4       5.0235      1.99999
      5       5.9339      1.92720
      6       7.6839      0.00000
      7       8.2148      0.00000
      8       9.8480      0.00000
      9      10.5581      0.00000
     10      11.1597      0.00000
     11      12.1459      0.00000
     12      12.8805      0.00000

 k-point   475 :       0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9455      2.00000
      2       0.3285      2.00000
      3       2.8652      2.00000
      4       4.8613      2.00000
      5       5.3452      1.99979
      6       7.8340      0.00000
      7       8.7365      0.00000
      8       9.7100      0.00000
      9      10.1881      0.00000
     10      11.1981      0.00000
     11      12.6031      0.00000
     12      13.1083      0.00000

 k-point   476 :       0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.7733      2.00000
      2       0.4305      2.00000
      3       2.9949      2.00000
      4       4.0494      2.00000
      5       5.2168      1.99994
      6       6.9604      0.00184
      7       8.8059      0.00000
      8      10.0542      0.00000
      9      10.9123      0.00000
     10      11.4295      0.00000
     11      11.9405      0.00000
     12      13.6121      0.00000

 k-point   477 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.5017      2.00000
      2       0.6137      2.00000
      3       2.9371      2.00000
      4       3.3931      2.00000
      5       5.1893      1.99996
      6       6.1395      1.54450
      7       7.9124      0.00000
      8      10.7423      0.00000
      9      11.3358      0.00000
     10      11.6212      0.00000
     11      12.5494      0.00000
     12      14.0061      0.00000

 k-point   478 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.1363      2.00000
      2       0.8473      2.00000
      3       2.1845      2.00000
      4       3.5818      2.00000
      5       4.8160      2.00000
      6       5.7822      1.98357
      7       7.1513      0.00027
      8       9.9956      0.00000
      9      11.7388      0.00000
     10      12.9499      0.00000
     11      13.4050      0.00000
     12      14.3381      0.00000

 k-point   479 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.6971      2.00000
      2       0.9411      2.00000
      3       1.6641      2.00000
      4       3.6962      2.00000
      5       4.3869      2.00000
      6       5.6833      1.99386
      7       6.6657      0.03452
      8       9.3501      0.00000
      9      12.1375      0.00000
     10      13.4277      0.00000
     11      14.1886      0.00000
     12      14.4252      0.00000

 k-point   480 :       0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.3057      2.00000
      2       0.6436      2.00000
      3       1.7630      2.00000
      4       3.3361      2.00000
      5       4.4656      2.00000
      6       5.5216      1.99878
      7       6.5518      0.10407
      8       8.9140      0.00000
      9      12.4655      0.00000
     10      13.2558      0.00000
     11      14.3053      0.00000
     12      14.7095      0.00000

 k-point   481 :      -0.4615    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.4460      2.00000
      2       0.8684      2.00000
      3       1.8351      2.00000
      4       3.1701      2.00000
      5       4.3427      2.00000
      6       5.7391      1.98929
      7       6.5286      0.12952
      8       8.7995      0.00000
      9      12.3021      0.00000
     10      13.4835      0.00000
     11      14.3461      0.00000
     12      14.5226      0.00000

 k-point   482 :      -0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1      -0.8846      2.00000
      2       1.4357      2.00000
      3       1.6826      2.00000
      4       3.4259      2.00000
      5       4.0930      2.00000
      6       6.1412      1.53842
      7       6.5948      0.06893
      8       9.0447      0.00000
      9      11.8940      0.00000
     10      13.7621      0.00000
     11      14.1436      0.00000
     12      14.1807      0.00000

 k-point   483 :      -0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.2935      2.00000
      2       1.1574      2.00000
      3       2.4204      2.00000
      4       3.4320      2.00000
      5       4.3566      2.00000
      6       6.0702      1.74277
      7       7.2665      0.00009
      8       9.5560      0.00000
      9      11.4841      0.00000
     10      12.5492      0.00000
     11      13.7552      0.00000
     12      14.0018      0.00000

 k-point   484 :      -0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.6202      2.00000
      2       0.8268      2.00000
      3       3.0950      2.00000
      4       3.4503      2.00000
      5       4.9365      2.00000
      6       6.0282      1.82326
      7       8.1559      0.00000
      8      10.1988      0.00000
      9      10.8570      0.00000
     10      11.4063      0.00000
     11      13.2626      0.00000
     12      13.7086      0.00000

 k-point   485 :      -0.1538    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.8522      2.00000
      2       0.5682      2.00000
      3       2.9554      2.00000
      4       4.3586      2.00000
      5       5.2602      1.99991
      6       6.4403      0.28689
      7       9.1325      0.00000
      8       9.5125      0.00000
      9      10.8248      0.00000
     10      11.2301      0.00000
     11      12.4099      0.00000
     12      13.3547      0.00000

 k-point   486 :      -0.0769    0.2308    0.3846
  band No.  band energies     occupation 
      1      -1.9849      2.00000
      2       0.3964      2.00000
      3       2.8410      2.00000
      4       4.9731      1.99999
      5       5.6309      1.99636
      6       7.1928      0.00018
      7       8.3803      0.00000
      8      10.1237      0.00000
      9      10.4975      0.00000
     10      11.4367      0.00000
     11      12.0352      0.00000
     12      12.6155      0.00000

 k-point   487 :       0.0000    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6714      2.00000
      2       0.5759      2.00000
      3       1.9121      2.00000
      4       4.2056      2.00000
      5       6.2664      0.97592
      6       8.0167      0.00000
      7       8.5197      0.00000
      8       9.6139      0.00000
      9      10.2747      0.00000
     10      11.4150      0.00000
     11      12.0770      0.00000
     12      12.5181      0.00000

 k-point   488 :       0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6001      2.00000
      2       0.5928      2.00000
      3       1.9666      2.00000
      4       4.1886      2.00000
      5       5.5112      1.99890
      6       8.1128      0.00000
      7       8.9003      0.00000
      8       9.0800      0.00000
      9      10.5924      0.00000
     10      11.7582      0.00000
     11      12.3390      0.00000
     12      12.5984      0.00000

 k-point   489 :       0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.4270      2.00000
      2       0.7045      2.00000
      3       2.1079      2.00000
      4       4.0598      2.00000
      5       4.6882      2.00000
      6       7.1338      0.00033
      7       8.0271      0.00000
      8      10.3646      0.00000
      9      10.9130      0.00000
     10      11.7426      0.00000
     11      12.8027      0.00000
     12      13.5635      0.00000

 k-point   490 :       0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.1543      2.00000
      2       0.9040      2.00000
      3       2.3190      2.00000
      4       3.3733      2.00000
      5       4.5131      2.00000
      6       6.1239      1.59702
      7       7.1709      0.00022
      8      10.0331      0.00000
      9      11.9051      0.00000
     10      12.7650      0.00000
     11      13.2555      0.00000
     12      14.5559      0.00000

 k-point   491 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.7873      2.00000
      2       1.1660      2.00000
      3       2.3506      2.00000
      4       2.8247      2.00000
      5       4.5374      2.00000
      6       5.2194      1.99994
      7       6.4320      0.30783
      8       9.2948      0.00000
      9      13.2152      0.00000
     10      13.4664      0.00000
     11      14.2341      0.00000
     12      14.9810      0.00000

 k-point   492 :       0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.3448      2.00000
      2       1.2998      2.00000
      3       1.9157      2.00000
      4       3.0685      2.00000
      5       4.2187      2.00000
      6       4.7321      2.00000
      7       5.9058      1.94458
      8       8.6989      0.00000
      9      13.6676      0.00000
     10      14.6494      0.00000
     11      14.8294      0.00000
     12      15.4565      0.00000

 k-point   493 :       0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1       0.0555      2.00000
      2       0.9744      2.00000
      3       2.0854      2.00000
      4       3.3102      2.00000
      5       3.6255      2.00000
      6       4.6594      2.00000
      7       5.6615      1.99506
      8       8.3187      0.00000
      9      14.0133      0.00000
     10      14.6473      0.00000
     11      15.0478      0.00000
     12      15.7293      0.00000

 k-point   494 :      -0.4615    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.0907      2.00000
      2       1.1969      2.00000
      3       2.1920      2.00000
      4       3.1522      2.00000
      5       3.5090      2.00000
      6       4.8673      2.00000
      7       5.5837      1.99773
      8       8.2269      0.00000
      9      13.8248      0.00000
     10      14.6990      0.00000
     11      15.0651      0.00000
     12      15.7623      0.00000

 k-point   495 :      -0.3846    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.5367      2.00000
      2       1.8009      2.00000
      3       1.9537      2.00000
      4       2.9065      2.00000
      5       3.8487      2.00000
      6       5.1830      1.99996
      7       5.7373      1.98948
      8       8.4418      0.00000
      9      13.3907      0.00000
     10      14.2527      0.00000
     11      14.8591      0.00000
     12      15.2985      0.00000

 k-point   496 :      -0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1      -0.9484      2.00000
      2       1.4576      2.00000
      3       2.4657      2.00000
      4       2.8512      2.00000
      5       4.3630      2.00000
      6       5.2801      1.99989
      7       6.4005      0.39892
      8       8.9035      0.00000
      9      12.7197      0.00000
     10      13.1611      0.00000
     11      14.3286      0.00000
     12      14.9285      0.00000

 k-point   497 :      -0.2308    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.2761      2.00000
      2       1.1035      2.00000
      3       2.2670      2.00000
      4       3.6579      2.00000
      5       4.6064      2.00000
      6       5.7543      1.98754
      7       7.2735      0.00008
      8       9.5234      0.00000
      9      11.3293      0.00000
     10      12.7149      0.00000
     11      13.8892      0.00000
     12      14.0737      0.00000

 k-point   498 :      -0.1538    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.5083      2.00000
      2       0.8329      2.00000
      3       2.0684      2.00000
      4       4.2147      2.00000
      5       4.9938      1.99999
      6       6.5860      0.07502
      7       8.2434      0.00000
      8       9.7413      0.00000
      9      10.4685      0.00000
     10      12.2033      0.00000
     11      12.8972      0.00000
     12      13.2194      0.00000

 k-point   499 :      -0.0769    0.3077    0.3846
  band No.  band energies     occupation 
      1      -1.6407      2.00000
      2       0.6560      2.00000
      3       1.9469      2.00000
      4       4.2381      2.00000
      5       5.8868      1.95396
      6       7.4878      0.00001
      7       8.6658      0.00000
      8       9.2244      0.00000
      9      11.0968      0.00000
     10      11.1598      0.00000
     11      12.1085      0.00000
     12      12.6752      0.00000

 k-point   500 :      -0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.3521      2.00000
      2       1.5856      2.00000
      3       2.5027      2.00000
      4       2.6408      2.00000
      5       3.3390      2.00000
      6       4.1868      2.00000
      7       4.7376      2.00000
      8       7.8026      0.00000
      9      15.0552      0.00000
     10      15.4899      0.00000
     11      16.2173      0.00000
     12      16.6189      0.00000

 k-point   501 :      -0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.1082      2.00000
      2       1.9618      2.00000
      3       2.2663      2.00000
      4       2.4622      2.00000
      5       3.9391      2.00000
      6       4.3190      2.00000
      7       5.0138      1.99999
      8       7.9913      0.00000
      9      14.6498      0.00000
     10      14.6843      0.00000
     11      15.5303      0.00000
     12      15.9762      0.00000

 k-point   502 :      -0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.5254      2.00000
      2       1.5507      2.00000
      3       2.0294      2.00000
      4       3.1301      2.00000
      5       4.1167      2.00000
      6       4.8906      2.00000
      7       5.6893      1.99348
      8       8.4030      0.00000
      9      13.2145      0.00000
     10      14.2510      0.00000
     11      14.9685      0.00000
     12      15.1553      0.00000

 k-point   503 :      -0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.8555      2.00000
      2       1.1935      2.00000
      3       1.7339      2.00000
      4       3.6573      2.00000
      5       4.3922      2.00000
      6       5.7939      1.98155
      7       6.5407      0.11563
      8       8.9745      0.00000
      9      11.7164      0.00000
     10      13.4980      0.00000
     11      14.1855      0.00000
     12      14.4853      0.00000

 k-point   504 :      -0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0885      2.00000
      2       0.9317      2.00000
      3       1.5028      2.00000
      4       3.6406      2.00000
      5       5.2961      1.99987
      6       6.7889      0.01020
      7       7.4902      0.00001
      8       9.5740      0.00000
      9      10.3810      0.00000
     10      12.2382      0.00000
     11      13.2172      0.00000
     12      13.9963      0.00000

 k-point   505 :      -0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2206      2.00000
      2       0.7703      2.00000
      3       1.3533      2.00000
      4       3.5633      2.00000
      5       6.2860      0.87861
      6       7.8104      0.00000
      7       8.4352      0.00000
      8       9.0007      0.00000
      9      10.3712      0.00000
     10      11.0946      0.00000
     11      12.0465      0.00000
     12      13.8805      0.00000

 k-point   506 :      -0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.8207      2.00000
      2       1.7749      2.00000
      3       2.0272      2.00000
      4       3.0622      2.00000
      5       3.2139      2.00000
      6       3.8854      2.00000
      7       4.0379      2.00000
      8       7.5746      0.00000
      9      15.5115      0.00000
     10      16.2860      0.00000
     11      16.5976      0.00000
     12      17.0846      0.00000

 k-point   507 :      -0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.3263      2.00000
      2       1.4218      2.00000
      3       2.6509      2.00000
      4       2.8124      2.00000
      5       3.5729      2.00000
      6       4.0408      2.00000
      7       4.5227      2.00000
      8       7.7473      0.00000
      9      15.1059      0.00000
     10      15.1473      0.00000
     11      15.7311      0.00000
     12      16.8156      0.00000

 k-point   508 :      -0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.1046      2.00000
      2       1.0420      2.00000
      3       2.2814      2.00000
      4       3.3515      2.00000
      5       3.7756      2.00000
      6       4.7714      2.00000
      7       5.2920      1.99988
      8       8.1253      0.00000
      9      13.5928      0.00000
     10      14.4581      0.00000
     11      14.8723      0.00000
     12      16.2838      0.00000

 k-point   509 :      -0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.4411      2.00000
      2       0.7267      2.00000
      3       1.9048      2.00000
      4       3.3095      2.00000
      5       4.6514      2.00000
      6       5.6917      1.99332
      7       6.1847      1.36653
      8       8.6562      0.00000
      9      12.0660      0.00000
     10      13.1450      0.00000
     11      14.5712      0.00000
     12      14.9310      0.00000

 k-point   510 :      -0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6765      2.00000
      2       0.4972      2.00000
      3       1.6173      2.00000
      4       3.1987      2.00000
      5       5.6806      1.99402
      6       6.7040      0.02368
      7       7.1667      0.00023
      8       9.2594      0.00000
      9      10.6345      0.00000
     10      11.8482      0.00000
     11      13.4804      0.00000
     12      14.4186      0.00000

 k-point   511 :      -0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8087      2.00000
      2       0.3615      2.00000
      3       1.4274      2.00000
      4       3.1130      2.00000
      5       6.7057      0.02328
      6       7.7222      0.00000
      7       8.1931      0.00000
      8       9.3218      0.00000
      9       9.7962      0.00000
     10      10.8530      0.00000
     11      12.1353      0.00000
     12      14.1157      0.00000

 k-point   512 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.1199      2.00000
      2      -0.6101      2.00000
      3       5.9129      1.94063
      4       5.9445      1.91946
      5       6.8450      0.00583
      6       7.0415      0.00082
      7       7.4192      0.00002
      8       7.5356      0.00001
      9       8.2508      0.00000
     10      11.3126      0.00000
     11      14.0354      0.00000
     12      14.4442      0.00000

 k-point   513 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0560      2.00000
      2      -0.5838      2.00000
      3       5.0855      1.99998
      4       6.0092      1.85162
      5       6.5016      0.16622
      6       7.0698      0.00062
      7       7.6621      0.00000
      8       8.2801      0.00000
      9       8.5240      0.00000
     10      11.4541      0.00000
     11      12.9192      0.00000
     12      13.9738      0.00000

 k-point   514 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.8879      2.00000
      2      -0.4734      2.00000
      3       4.0314      2.00000
      4       5.6022      1.99726
      5       6.1695      1.43047
      6       7.1973      0.00017
      7       7.8441      0.00000
      8       8.9663      0.00000
      9       9.7917      0.00000
     10      11.8093      0.00000
     11      11.9721      0.00000
     12      13.2770      0.00000

 k-point   515 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6162      2.00000
      2      -0.2862      2.00000
      3       3.0250      2.00000
      4       4.6932      2.00000
      5       6.4241      0.32885
      6       7.4216      0.00002
      7       8.0988      0.00000
      8       9.4270      0.00000
      9      10.7971      0.00000
     10      11.2463      0.00000
     11      12.3770      0.00000
     12      12.5953      0.00000

 k-point   516 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.2433      2.00000
      2      -0.0413      2.00000
      3       2.1104      2.00000
      4       3.8642      2.00000
      5       6.7700      0.01231
      6       7.7344      0.00000
      7       8.4540      0.00000
      8       9.6957      0.00000
      9       9.8929      0.00000
     10      11.6231      0.00000
     11      11.6245      0.00000
     12      12.8026      0.00000

 k-point   517 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.7778      2.00000
      2       0.2026      2.00000
      3       1.3328      2.00000
      4       3.1693      2.00000
      5       7.1956      0.00018
      6       8.1036      0.00000
      7       8.9032      0.00000
      8       9.1239      0.00000
      9       9.8162      0.00000
     10      10.7802      0.00000
     11      10.9363      0.00000
     12      13.5121      0.00000

 k-point   518 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.2904      2.00000
      2       0.2524      2.00000
      3       0.8716      2.00000
      4       2.7052      2.00000
      5       7.6182      0.00000
      6       8.2983      0.00000
      7       8.7306      0.00000
      8       9.3865      0.00000
      9       9.7629      0.00000
     10      10.1421      0.00000
     11      10.4504      0.00000
     12      13.3688      0.00000

 k-point   519 :      -0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.4303      2.00000
      2       0.5543      2.00000
      3       0.7632      2.00000
      4       2.6439      2.00000
      5       7.4941      0.00001
      6       8.4928      0.00000
      7       8.7748      0.00000
      8       9.2183      0.00000
      9      10.0174      0.00000
     10      10.1407      0.00000
     11      10.2610      0.00000
     12      13.3400      0.00000

 k-point   520 :      -0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1      -0.9121      2.00000
      2       0.4286      2.00000
      3       1.3735      2.00000
      4       3.0137      2.00000
      5       7.0463      0.00078
      6       8.3063      0.00000
      7       8.7577      0.00000
      8       9.2858      0.00000
      9      10.0698      0.00000
     10      10.5345      0.00000
     11      10.8899      0.00000
     12      13.3969      0.00000

 k-point   521 :      -0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.3451      2.00000
      2       0.1109      2.00000
      3       2.2408      2.00000
      4       3.6465      2.00000
      5       6.6437      0.04284
      6       7.9004      0.00000
      7       8.3362      0.00000
      8       9.8581      0.00000
      9      10.0978      0.00000
     10      11.3279      0.00000
     11      11.6891      0.00000
     12      12.5110      0.00000

 k-point   522 :      -0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.6893      2.00000
      2      -0.1798      2.00000
      3       3.2083      2.00000
      4       4.4293      2.00000
      5       6.3270      0.68419
      6       7.5486      0.00001
      7       7.9923      0.00000
      8       9.5245      0.00000
      9      11.0238      0.00000
     10      11.0803      0.00000
     11      12.2686      0.00000
     12      12.5605      0.00000

 k-point   523 :      -0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1      -1.9353      2.00000
      2      -0.4049      2.00000
      3       4.2564      2.00000
      4       5.3074      1.99986
      5       6.1036      1.65823
      6       7.2831      0.00007
      7       7.7335      0.00000
      8       8.8963      0.00000
      9       9.8802      0.00000
     10      12.0504      0.00000
     11      12.1984      0.00000
     12      13.3241      0.00000

 k-point   524 :      -0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1      -2.0794      2.00000
      2      -0.5501      2.00000
      3       5.3310      1.99982
      4       5.9759      1.89129
      5       6.2185      1.21200
      6       7.1130      0.00040
      7       7.5456      0.00001
      8       7.9226      0.00000
      9       8.9718      0.00000
     10      11.5460      0.00000
     11      13.1689      0.00000
     12      14.2250      0.00000

 k-point   525 :       0.0000    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0673      2.00000
      2      -0.5675      2.00000
      3       5.2452      1.99992
      4       5.9613      1.90536
      5       6.3438      0.61066
      6       6.8996      0.00338
      7       7.8067      0.00000
      8       8.1325      0.00000
      9       8.7370      0.00000
     10      11.4771      0.00000
     11      13.0519      0.00000
     12      13.9843      0.00000

 k-point   526 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0034      2.00000
      2      -0.5410      2.00000
      3       5.1198      1.99998
      4       5.3056      1.99986
      5       6.2779      0.91867
      6       6.8556      0.00525
      7       8.2963      0.00000
      8       8.6566      0.00000
      9       8.8178      0.00000
     10      11.5591      0.00000
     11      12.2357      0.00000
     12      14.0667      0.00000

 k-point   527 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8352      2.00000
      2      -0.4300      2.00000
      3       4.0759      2.00000
      4       5.3570      1.99976
      5       5.7153      1.99155
      6       6.7766      0.01153
      7       8.6089      0.00000
      8       9.4741      0.00000
      9       9.8443      0.00000
     10      11.1175      0.00000
     11      12.0463      0.00000
     12      13.2058      0.00000

 k-point   528 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.5636      2.00000
      2      -0.2417      2.00000
      3       3.0721      2.00000
      4       4.6867      2.00000
      5       5.7699      1.98546
      6       6.9484      0.00208
      7       8.8688      0.00000
      8       9.9199      0.00000
      9      10.2153      0.00000
     10      11.3056      0.00000
     11      11.9746      0.00000
     12      12.9949      0.00000

 k-point   529 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.1908      2.00000
      2       0.0051      2.00000
      3       2.1587      2.00000
      4       3.8813      2.00000
      5       6.1048      1.65486
      6       7.2105      0.00015
      7       9.1978      0.00000
      8       9.2717      0.00000
      9      10.2833      0.00000
     10      11.2142      0.00000
     11      12.3392      0.00000
     12      12.8608      0.00000

 k-point   530 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.7254      2.00000
      2       0.2522      2.00000
      3       1.3815      2.00000
      4       3.1916      2.00000
      5       6.5337      0.12341
      6       7.4939      0.00001
      7       8.5114      0.00000
      8       9.6514      0.00000
      9      10.2152      0.00000
     10      10.7034      0.00000
     11      11.6820      0.00000
     12      13.9427      0.00000

 k-point   531 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.2382      2.00000
      2       0.3046      2.00000
      3       0.9220      2.00000
      4       2.7266      2.00000
      5       6.9698      0.00168
      6       7.5829      0.00000
      7       8.1093      0.00000
      8       9.7856      0.00000
      9      10.1379      0.00000
     10      10.5633      0.00000
     11      11.2250      0.00000
     12      13.7551      0.00000

 k-point   532 :      -0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.3784      2.00000
      2       0.6057      2.00000
      3       0.8158      2.00000
      4       2.6644      2.00000
      5       6.8427      0.00597
      6       7.8266      0.00000
      7       8.0636      0.00000
      8       9.6853      0.00000
      9      10.0121      0.00000
     10      10.9043      0.00000
     11      11.0557      0.00000
     12      13.7196      0.00000

 k-point   533 :      -0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1      -0.8603      2.00000
      2       0.4780      2.00000
      3       1.4252      2.00000
      4       3.0348      2.00000
      5       6.3923      0.42593
      6       7.7043      0.00000
      7       8.6032      0.00000
      8       9.4888      0.00000
      9      10.1145      0.00000
     10      10.8906      0.00000
     11      11.6465      0.00000
     12      13.7813      0.00000

 k-point   534 :      -0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.2932      2.00000
      2       0.1575      2.00000
      3       2.2921      2.00000
      4       3.6640      2.00000
      5       5.9859      1.88053
      6       7.3666      0.00003
      7       9.0789      0.00000
      8       9.4380      0.00000
      9      10.3568      0.00000
     10      11.0456      0.00000
     11      12.4234      0.00000
     12      12.6226      0.00000

 k-point   535 :      -0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.6372      2.00000
      2      -0.1350      2.00000
      3       3.2591      2.00000
      4       4.4328      2.00000
      5       5.6657      1.99485
      6       7.0641      0.00065
      7       8.7547      0.00000
      8      10.0574      0.00000
      9      10.3551      0.00000
     10      11.1113      0.00000
     11      11.8083      0.00000
     12      13.2936      0.00000

 k-point   536 :      -0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1      -1.8830      2.00000
      2      -0.3613      2.00000
      3       4.3060      2.00000
      4       5.2406      1.99993
      5       5.4706      1.99927
      6       6.8443      0.00587
      7       8.4976      0.00000
      8       9.2636      0.00000
      9      10.1020      0.00000
     10      11.3628      0.00000
     11      12.1023      0.00000
     12      13.0168      0.00000

 k-point   537 :      -0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1      -2.0270      2.00000
      2      -0.5072      2.00000
      3       5.2710      1.99990
      4       5.3924      1.99966
      5       6.0675      1.74881
      6       6.7540      0.01443
      7       8.1628      0.00000
      8       8.3285      0.00000
      9       9.3126      0.00000
     10      11.6606      0.00000
     11      12.4158      0.00000
     12      13.7975      0.00000

 k-point   538 :       0.0000    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.9100      2.00000
      2      -0.4412      2.00000
      3       4.1788      2.00000
      4       5.4025      1.99963
      5       6.1129      1.63115
      6       7.0490      0.00076
      7       8.0165      0.00000
      8       9.0040      0.00000
      9       9.8459      0.00000
     10      11.8657      0.00000
     11      12.0893      0.00000
     12      13.0429      0.00000

 k-point   539 :       0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8460      2.00000
      2      -0.4142      2.00000
      3       4.2340      2.00000
      4       5.1636      1.99997
      5       5.5458      1.99844
      6       6.9590      0.00187
      7       8.6497      0.00000
      8       9.4365      0.00000
      9       9.8699      0.00000
     10      11.1098      0.00000
     11      12.0790      0.00000
     12      13.1429      0.00000

 k-point   540 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.6777      2.00000
      2      -0.3013      2.00000
      3       4.1938      2.00000
      4       4.3903      2.00000
      5       5.3127      1.99985
      6       6.3708      0.50232
      7       9.8169      0.00000
      8      10.0580      0.00000
      9      10.1506      0.00000
     10      10.3618      0.00000
     11      11.7807      0.00000
     12      12.9472      0.00000

 k-point   541 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4062      2.00000
      2      -0.1095      2.00000
      3       3.2109      2.00000
      4       4.4947      2.00000
      5       4.8762      2.00000
      6       6.2029      1.28516
      7       9.1382      0.00000
      8      10.1866      0.00000
      9      10.9066      0.00000
     10      11.2377      0.00000
     11      11.4686      0.00000
     12      13.4988      0.00000

 k-point   542 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.0337      2.00000
      2       0.1433      2.00000
      3       2.3022      2.00000
      4       3.9159      2.00000
      5       5.0611      1.99999
      6       6.3255      0.69067
      7       8.2651      0.00000
      8      10.2001      0.00000
      9      10.5905      0.00000
     10      11.6218      0.00000
     11      12.9813      0.00000
     12      13.5906      0.00000

 k-point   543 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.5687      2.00000
      2       0.4001      2.00000
      3       1.5268      2.00000
      4       3.2541      2.00000
      5       5.4835      1.99916
      6       6.4969      0.17358
      7       7.5266      0.00001
      8       9.5984      0.00000
      9      10.9951      0.00000
     10      11.8777      0.00000
     11      12.9237      0.00000
     12      14.4994      0.00000

 k-point   544 :       0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.0820      2.00000
      2       0.4608      2.00000
      3       1.0726      2.00000
      4       2.7882      2.00000
      5       5.9259      1.93267
      6       6.5088      0.15559
      7       7.0922      0.00049
      8       9.1918      0.00000
      9      11.4437      0.00000
     10      11.8893      0.00000
     11      12.5063      0.00000
     12      14.6762      0.00000

 k-point   545 :      -0.4615    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.2232      2.00000
      2       0.7594      2.00000
      3       0.9735      2.00000
      4       2.7230      2.00000
      5       5.8002      1.98035
      6       6.7813      0.01101
      7       6.9894      0.00138
      8       9.1370      0.00000
      9      11.2933      0.00000
     10      12.2062      0.00000
     11      12.3768      0.00000
     12      14.6298      0.00000

 k-point   546 :      -0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1      -0.7053      2.00000
      2       0.6252      2.00000
      3       1.5802      2.00000
      4       3.0937      2.00000
      5       5.3513      1.99978
      6       6.7124      0.02178
      7       7.5541      0.00000
      8       9.4541      0.00000
      9      10.8491      0.00000
     10      12.1097      0.00000
     11      12.9414      0.00000
     12      14.2742      0.00000

 k-point   547 :      -0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.1377      2.00000
      2       0.2963      2.00000
      3       2.4457      2.00000
      4       3.7042      2.00000
      5       4.9473      2.00000
      6       6.4657      0.22990
      7       8.3804      0.00000
      8       9.9991      0.00000
      9      10.4647      0.00000
     10      11.7484      0.00000
     11      12.8085      0.00000
     12      13.7134      0.00000

 k-point   548 :      -0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.4812      2.00000
      2      -0.0020      2.00000
      3       3.4108      2.00000
      4       4.3616      2.00000
      5       4.6782      2.00000
      6       6.2766      0.92484
      7       9.3023      0.00000
      8      10.0671      0.00000
      9      10.7494      0.00000
     10      10.9297      0.00000
     11      11.7229      0.00000
     12      13.7497      0.00000

 k-point   549 :      -0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.7265      2.00000
      2      -0.2320      2.00000
      3       4.3364      2.00000
      4       4.4664      2.00000
      5       5.1002      1.99998
      6       6.2928      0.84490
      7       9.5996      0.00000
      8       9.8139      0.00000
      9      10.3364      0.00000
     10      10.8445      0.00000
     11      11.5718      0.00000
     12      12.9995      0.00000

 k-point   550 :      -0.0769    0.1538    0.4615
  band No.  band energies     occupation 
      1      -1.8700      2.00000
      2      -0.3801      2.00000
      3       4.2172      2.00000
      4       5.3587      1.99976
      5       5.5466      1.99843
      6       6.6921      0.02662
      7       8.4418      0.00000
      8       9.4777      0.00000
      9      10.1151      0.00000
     10      11.3573      0.00000
     11      11.9777      0.00000
     12      12.9443      0.00000

 k-point   551 :       0.0000    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6493      2.00000
      2      -0.2371      2.00000
      3       3.1422      2.00000
      4       4.5140      2.00000
      5       6.3511      0.57997
      6       7.2940      0.00007
      7       8.2786      0.00000
      8       9.5294      0.00000
      9      10.9178      0.00000
     10      11.2588      0.00000
     11      12.0604      0.00000
     12      12.7400      0.00000

 k-point   552 :       0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.5848      2.00000
      2      -0.2093      2.00000
      3       3.1996      2.00000
      4       4.4987      2.00000
      5       5.5783      1.99785
      6       7.1784      0.00021
      7       8.9121      0.00000
      8       9.9141      0.00000
      9      10.2203      0.00000
     10      11.2913      0.00000
     11      11.9638      0.00000
     12      13.1339      0.00000

 k-point   553 :       0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4164      2.00000
      2      -0.0931      2.00000
      3       3.3533      2.00000
      4       4.2893      2.00000
      5       4.7534      2.00000
      6       6.3928      0.42400
      7       9.1244      0.00000
      8      10.2224      0.00000
      9      10.8806      0.00000
     10      11.2103      0.00000
     11      11.5132      0.00000
     12      13.5010      0.00000

 k-point   554 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.1450      2.00000
      2       0.1052      2.00000
      3       3.4186      2.00000
      4       3.6120      2.00000
      5       4.4904      2.00000
      6       5.7371      1.98950
      7       8.1672      0.00000
      8      10.2292      0.00000
      9      11.6193      0.00000
     10      11.7620      0.00000
     11      12.1213      0.00000
     12      14.0117      0.00000

 k-point   555 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.7729      2.00000
      2       0.3687      2.00000
      3       2.5361      2.00000
      4       3.8046      2.00000
      5       4.1631      2.00000
      6       5.5107      1.99890
      7       7.2925      0.00007
      8       9.4978      0.00000
      9      12.0359      0.00000
     10      12.8446      0.00000
     11      13.2351      0.00000
     12      14.8754      0.00000

 k-point   556 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.3086      2.00000
      2       0.6432      2.00000
      3       1.7653      2.00000
      4       3.3380      2.00000
      5       4.4625      2.00000
      6       5.5231      1.99876
      7       6.5532      0.10274
      8       8.9158      0.00000
      9      12.4618      0.00000
     10      13.2592      0.00000
     11      14.3071      0.00000
     12      14.7407      0.00000

 k-point   557 :       0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.1774      2.00000
      2       0.7198      2.00000
      3       1.3207      2.00000
      4       2.8818      2.00000
      5       4.9002      2.00000
      6       5.4719      1.99926
      7       6.0887      1.69843
      8       8.5635      0.00000
      9      12.9078      0.00000
     10      13.3340      0.00000
     11      13.9227      0.00000
     12      15.8491      0.00000

 k-point   558 :      -0.4615    0.2308    0.4615
  band No.  band energies     occupation 
      1       0.0343      2.00000
      2       1.0140      2.00000
      3       1.2358      2.00000
      4       2.8105      2.00000
      5       4.7791      2.00000
      6       5.7609      1.98671
      7       5.9493      1.91561
      8       8.5226      0.00000
      9      12.7503      0.00000
     10      13.6444      0.00000
     11      13.8136      0.00000
     12      15.7969      0.00000

 k-point   559 :      -0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.4483      2.00000
      2       0.8671      2.00000
      3       1.8374      2.00000
      4       3.1724      2.00000
      5       4.3402      2.00000
      6       5.7397      1.98923
      7       6.5301      0.12765
      8       8.8014      0.00000
      9      12.2997      0.00000
     10      13.4862      0.00000
     11      14.3488      0.00000
     12      14.5565      0.00000

 k-point   560 :      -0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1      -0.8801      2.00000
      2       0.5228      2.00000
      3       2.7002      2.00000
      4       3.6584      2.00000
      5       4.0100      2.00000
      6       5.6154      1.99688
      7       7.3642      0.00003
      8       9.3229      0.00000
      9      11.8818      0.00000
     10      12.7714      0.00000
     11      13.3288      0.00000
     12      15.0642      0.00000

 k-point   561 :      -0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.2227      2.00000
      2       0.2141      2.00000
      3       3.5386      2.00000
      4       3.6649      2.00000
      5       4.3148      2.00000
      6       5.6870      1.99363
      7       8.2963      0.00000
      8       9.9969      0.00000
      9      11.3087      0.00000
     10      11.5956      0.00000
     11      12.5993      0.00000
     12      14.1791      0.00000

 k-point   562 :      -0.1538    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.4671      2.00000
      2      -0.0226      2.00000
      3       3.3191      2.00000
      4       4.4967      2.00000
      5       4.7307      2.00000
      6       6.1710      1.42410
      7       9.3002      0.00000
      8       9.8916      0.00000
      9      10.8345      0.00000
     10      11.1426      0.00000
     11      11.7653      0.00000
     12      13.5368      0.00000

 k-point   563 :      -0.0769    0.2308    0.4615
  band No.  band energies     occupation 
      1      -1.6098      2.00000
      2      -0.1746      2.00000
      3       3.1827      2.00000
      4       4.5290      2.00000
      5       5.7823      1.98356
      6       6.8740      0.00437
      7       8.7048      0.00000
      8      10.2319      0.00000
      9      10.3507      0.00000
     10      11.3242      0.00000
     11      11.6998      0.00000
     12      12.9161      0.00000

 k-point   564 :       0.0000    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2881      2.00000
      2       0.0299      2.00000
      3       2.1877      2.00000
      4       3.7190      2.00000
      5       6.6823      0.02933
      6       7.6290      0.00000
      7       8.6248      0.00000
      8       9.7849      0.00000
      9      10.0617      0.00000
     10      11.1478      0.00000
     11      11.9786      0.00000
     12      12.7923      0.00000

 k-point   565 :       0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2229      2.00000
      2       0.0592      2.00000
      3       2.2450      2.00000
      4       3.7246      2.00000
      5       5.8925      1.95128
      6       7.4732      0.00001
      7       9.1521      0.00000
      8       9.3464      0.00000
      9      10.3086      0.00000
     10      11.1932      0.00000
     11      12.4677      0.00000
     12      12.8806      0.00000

 k-point   566 :       0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.0541      2.00000
      2       0.1809      2.00000
      3       2.4021      2.00000
      4       3.7464      2.00000
      5       4.8758      2.00000
      6       6.5862      0.07494
      7       8.2414      0.00000
      8      10.2566      0.00000
      9      10.5697      0.00000
     10      11.6373      0.00000
     11      13.0077      0.00000
     12      13.7208      0.00000

 k-point   567 :       0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.7827      2.00000
      2       0.3893      2.00000
      3       2.6565      2.00000
      4       3.5964      2.00000
      5       4.0740      2.00000
      6       5.6888      1.99351
      7       7.2817      0.00007
      8       9.5170      0.00000
      9      12.0223      0.00000
     10      12.8692      0.00000
     11      13.2572      0.00000
     12      14.8862      0.00000

 k-point   568 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.4110      2.00000
      2       0.6700      2.00000
      3       2.8334      2.00000
      4       3.0176      2.00000
      5       3.8549      2.00000
      6       4.9911      1.99999
      7       6.4062      0.38122
      8       8.8410      0.00000
      9      13.5434      0.00000
     10      13.5902      0.00000
     11      14.0157      0.00000
     12      15.4898      0.00000

 k-point   569 :       0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.0526      2.00000
      2       0.9738      2.00000
      3       2.0877      2.00000
      4       3.3101      2.00000
      5       3.6241      2.00000
      6       4.6616      2.00000
      7       5.6629      1.99499
      8       8.3203      0.00000
      9      14.0090      0.00000
     10      14.6548      0.00000
     11      15.0785      0.00000
     12      15.7317      0.00000

 k-point   570 :       0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.5379      2.00000
      2       1.0790      2.00000
      3       1.6594      2.00000
      4       2.9915      2.00000
      5       3.9545      2.00000
      6       4.5188      2.00000
      7       5.1640      1.99997
      8       8.0184      0.00000
      9      14.4508      0.00000
     10      14.8210      0.00000
     11      15.3934      0.00000
     12      16.1710      0.00000

 k-point   571 :      -0.4615    0.3077    0.4615
  band No.  band energies     occupation 
      1       0.3909      2.00000
      2       1.3652      2.00000
      3       1.6014      2.00000
      4       2.9062      2.00000
      5       3.8433      2.00000
      6       4.8222      2.00000
      7       4.9896      1.99999
      8       7.9868      0.00000
      9      14.2819      0.00000
     10      15.1397      0.00000
     11      15.2824      0.00000
     12      16.1651      0.00000

 k-point   572 :      -0.3846    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.0930      2.00000
      2       1.1954      2.00000
      3       2.1943      2.00000
      4       3.1531      2.00000
      5       3.5076      2.00000
      6       4.8685      2.00000
      7       5.5853      1.99769
      8       8.2286      0.00000
      9      13.8235      0.00000
     10      14.7243      0.00000
     11      15.0766      0.00000
     12      15.7657      0.00000

 k-point   573 :      -0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.5241      2.00000
      2       0.8257      2.00000
      3       2.9217      2.00000
      4       3.0510      2.00000
      5       3.7276      2.00000
      6       4.9927      1.99999
      7       6.4255      0.32497
      8       8.6942      0.00000
      9      13.1513      0.00000
     10      13.5032      0.00000
     11      14.4481      0.00000
     12      15.6869      0.00000

 k-point   574 :      -0.2308    0.3077    0.4615
  band No.  band energies     occupation 
      1      -0.8653      2.00000
      2       0.5002      2.00000
      3       2.6063      2.00000
      4       3.8146      2.00000
      5       4.0485      2.00000
      6       5.5117      1.99889
      7       7.3642      0.00003
      8       9.3158      0.00000
      9      11.7085      0.00000
     10      12.9762      0.00000
     11      13.5297      0.00000
     12      14.7226      0.00000

 k-point   575 :      -0.1538    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.1083      2.00000
      2       0.2528      2.00000
      3       2.3711      2.00000
      4       3.8035      2.00000
      5       5.0645      1.99999
      6       6.3114      0.75565
      7       8.3795      0.00000
      8       9.9134      0.00000
      9      10.4191      0.00000
     10      11.9384      0.00000
     11      13.0332      0.00000
     12      13.4870      0.00000

 k-point   576 :      -0.0769    0.3077    0.4615
  band No.  band energies     occupation 
      1      -1.2497      2.00000
      2       0.0947      2.00000
      3       2.2303      2.00000
      4       3.7488      2.00000
      5       6.1238      1.59726
      6       7.1527      0.00027
      7       9.0124      0.00000
      8       9.4352      0.00000
      9      10.5270      0.00000
     10      10.9872      0.00000
     11      12.3759      0.00000
     12      12.8519      0.00000

 k-point   577 :       0.0000    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8364      2.00000
      2       0.3213      2.00000
      3       1.3397      2.00000
      4       3.0680      2.00000
      5       7.0944      0.00048
      6       8.0338      0.00000
      7       9.0433      0.00000
      8       9.1715      0.00000
      9      10.0570      0.00000
     10      10.3660      0.00000
     11      11.2021      0.00000
     12      13.5020      0.00000

 k-point   578 :       0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.7695      2.00000
      2       0.3535      2.00000
      3       1.3945      2.00000
      4       3.0789      2.00000
      5       6.2941      0.83890
      6       7.7947      0.00000
      7       8.4614      0.00000
      8       9.7216      0.00000
      9      10.2270      0.00000
     10      10.7762      0.00000
     11      11.6943      0.00000
     12      13.8555      0.00000

 k-point   579 :       0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.5994      2.00000
      2       0.4839      2.00000
      3       1.5509      2.00000
      4       3.1277      2.00000
      5       5.2564      1.99991
      6       6.7983      0.00929
      7       7.4998      0.00001
      8       9.6532      0.00000
      9      10.9994      0.00000
     10      11.9424      0.00000
     11      12.9472      0.00000
     12      14.5876      0.00000

 k-point   580 :       0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.3273      2.00000
      2       0.7084      2.00000
      3       1.8079      2.00000
      4       3.1913      2.00000
      5       4.2753      2.00000
      6       5.7810      1.98376
      7       6.5405      0.11584
      8       8.9558      0.00000
      9      12.4463      0.00000
     10      13.3237      0.00000
     11      14.3447      0.00000
     12      14.8383      0.00000

 k-point   581 :       0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.0445      2.00000
      2       1.0161      2.00000
      3       2.1616      2.00000
      4       3.1029      2.00000
      5       3.5391      2.00000
      6       4.8498      2.00000
      7       5.6586      1.99520
      8       8.3410      0.00000
      9      13.9621      0.00000
     10      14.7343      0.00000
     11      15.1651      0.00000
     12      15.7581      0.00000

 k-point   582 :       0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.5076      2.00000
      2       1.3681      2.00000
      3       2.4578      2.00000
      4       2.6161      2.00000
      5       3.4108      2.00000
      6       4.0659      2.00000
      7       4.8990      2.00000
      8       7.8782      0.00000
      9      15.4174      0.00000
     10      15.6075      0.00000
     11      15.9094      0.00000
     12      16.8676      0.00000

 k-point   583 :       0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.9927      2.00000
      2       1.5295      2.00000
      3       2.0662      2.00000
      4       3.0159      2.00000
      5       3.1968      2.00000
      6       3.6693      2.00000
      7       4.3462      2.00000
      8       7.6171      0.00000
      9      16.0110      0.00000
     10      16.2202      0.00000
     11      16.6360      0.00000
     12      16.8286      0.00000

 k-point   584 :      -0.4615    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.8374      2.00000
      2       1.7998      2.00000
      3       2.0672      2.00000
      4       2.8712      2.00000
      5       3.1325      2.00000
      6       3.9911      2.00000
      7       4.1245      2.00000
      8       7.5921      0.00000
      9      15.8035      0.00000
     10      16.5111      0.00000
     11      16.6074      0.00000
     12      16.7075      0.00000

 k-point   585 :      -0.3846    0.3846    0.4615
  band No.  band energies     occupation 
      1       0.3499      2.00000
      2       1.5834      2.00000
      3       2.5008      2.00000
      4       2.6431      2.00000
      5       3.3399      2.00000
      6       4.1893      2.00000
      7       4.7392      2.00000
      8       7.8041      0.00000
      9      15.0869      0.00000
     10      15.4886      0.00000
     11      16.2259      0.00000
     12      16.5964      0.00000

 k-point   586 :      -0.3077    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.0806      2.00000
      2       1.1706      2.00000
      3       2.1041      2.00000
      4       3.3284      2.00000
      5       3.5496      2.00000
      6       4.7483      2.00000
      7       5.5847      1.99770
      8       8.2194      0.00000
      9      13.6130      0.00000
     10      14.8920      0.00000
     11      15.2822      0.00000
     12      15.6261      0.00000

 k-point   587 :      -0.2308    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.4201      2.00000
      2       0.8187      2.00000
      3       1.7738      2.00000
      4       3.2724      2.00000
      5       4.4710      2.00000
      6       5.5774      1.99787
      7       6.5295      0.12836
      8       8.7854      0.00000
      9      12.1099      0.00000
     10      13.6534      0.00000
     11      14.2447      0.00000
     12      14.8056      0.00000

 k-point   588 :      -0.1538    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.6608      2.00000
      2       0.5555      2.00000
      3       1.5319      2.00000
      4       3.1740      2.00000
      5       5.5022      1.99899
      6       6.5256      0.13311
      7       7.5529      0.00000
      8       9.4197      0.00000
      9      10.7129      0.00000
     10      12.2391      0.00000
     11      12.9117      0.00000
     12      14.5441      0.00000

 k-point   589 :      -0.0769    0.3846    0.4615
  band No.  band energies     occupation 
      1      -0.8000      2.00000
      2       0.3888      2.00000
      3       1.3860      2.00000
      4       3.1008      2.00000
      5       6.5538      0.10210
      6       7.4751      0.00001
      7       8.5939      0.00000
      8       9.3852      0.00000
      9      10.1347      0.00000
     10      10.9137      0.00000
     11      11.7569      0.00000
     12      14.0124      0.00000

 k-point   590 :      -0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.3180      2.00000
      2       2.2189      2.00000
      3       2.3084      2.00000
      4       2.6130      2.00000
      5       3.1089      2.00000
      6       3.3385      2.00000
      7       3.3783      2.00000
      8       7.3816      0.00003
      9      16.9209      0.00000
     10      16.9609      0.00000
     11      17.4312      0.00000
     12      17.8388      0.00000

 k-point   591 :      -0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.8186      2.00000
      2       1.7719      2.00000
      3       2.0246      2.00000
      4       3.0643      2.00000
      5       3.2157      2.00000
      6       3.8890      2.00000
      7       4.0393      2.00000
      8       7.5761      0.00000
      9      15.5520      0.00000
     10      16.3102      0.00000
     11      16.5666      0.00000
     12      17.1075      0.00000

 k-point   592 :      -0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.3870      2.00000
      2       1.3264      2.00000
      3       1.5867      2.00000
      4       2.9877      2.00000
      5       4.0163      2.00000
      6       4.7225      2.00000
      7       4.8886      2.00000
      8       7.9590      0.00000
      9      14.0107      0.00000
     10      14.9139      0.00000
     11      15.7014      0.00000
     12      16.2213      0.00000

 k-point   593 :      -0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.0500      2.00000
      2       0.9696      2.00000
      3       1.2189      2.00000
      4       2.8672      2.00000
      5       4.9623      2.00000
      6       5.6661      1.99482
      7       5.8404      1.97079
      8       8.4844      0.00000
      9      12.4959      0.00000
     10      13.4672      0.00000
     11      14.2118      0.00000
     12      15.9475      0.00000

 k-point   594 :      -0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1865      2.00000
      2       0.7113      2.00000
      3       0.9449      2.00000
      4       2.7640      2.00000
      5       5.9859      1.88054
      6       6.6925      0.02652
      7       6.8740      0.00437
      8       9.0806      0.00000
      9      11.0709      0.00000
     10      12.0794      0.00000
     11      12.7555      0.00000
     12      14.8516      0.00000

 k-point   595 :      -0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3207      2.00000
      2       0.5544      2.00000
      3       0.7716      2.00000
      4       2.6931      2.00000
      5       7.0220      0.00100
      6       7.7357      0.00000
      7       7.9345      0.00000
      8       9.5375      0.00000
      9       9.8846      0.00000
     10      10.8746      0.00000
     11      11.4175      0.00000
     12      13.8657      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000   0.000
  5.264  22.372  -0.000  -0.000   0.000
 -0.000  -0.000  -0.285  -0.000   0.000
 -0.000  -0.000  -0.000  -0.285  -0.000
  0.000   0.000   0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.081  -0.022   0.000   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.094   0.006
  0.000   0.000   0.000   0.006   0.094


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.2865: real time    0.2865
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.5868: real time    0.5868
    STRESS:  cpu time    7.1420: real time    7.1480
    FORCOR:  cpu time    0.0505: real time    0.0505
    FORHAR:  cpu time    0.0138: real time    0.0138
    MIXING:  cpu time    0.0055: real time    0.0055
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.34043   -72.47731   -72.19402     0.00000    -0.00000     1.92081
  Hartree     1.14784     1.12972     1.12357     0.00000    -0.00000    -0.06827
  E(xc)     -27.42859   -27.42486   -27.43443     0.00000     0.00000    -0.06550
  Local      -4.02202    -3.91588    -4.14755    -0.00000    -0.00000    -1.74586
  n-local    58.96346    58.92471    59.02889    -0.01785     0.24331     0.70785
  augment    -3.03655    -3.03560    -3.03912    -0.00000    -0.00000    -0.03422
  Kinetic    46.91389    46.91931    46.88458     0.16062    -3.64786     0.13130
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.08436     0.00685     0.10869     0.00000     0.00000     0.84611
  in kB       2.07066     0.16810     2.66788     0.00000     0.00000    20.76794
  external pressure =        1.64 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.012420854
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
    -0.201341607  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.031862538     0.248727401  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.113E-14 -.127E-15 -.454E-16   -.488E-15 -.296E-15 -.173E-15   -.139E-29 -.102E-30 0.897E-29   0.148E-16 -.336E-17 -.148E-17
   0.673E-14 -.276E-13 0.228E-13   0.506E-15 0.161E-14 -.380E-15   -.224E-28 0.999E-28 -.468E-27   -.127E-15 0.455E-16 -.323E-17
   0.455E-14 -.438E-15 -.925E-13   0.146E-15 -.209E-14 0.208E-15   0.326E-27 0.656E-28 0.694E-29   -.601E-16 -.276E-16 0.147E-16
   0.435E-14 -.546E-14 -.409E-14   -.743E-16 0.751E-15 0.278E-15   -.433E-28 0.182E-30 -.266E-27   0.117E-15 0.152E-16 0.317E-16
 -----------------------------------------------------------------------------------------------
   0.168E-13 -.336E-13 -.738E-13   0.889E-16 -.204E-16 -.665E-16   0.259E-27 0.166E-27 -.718E-27   -.551E-16 0.297E-16 0.417E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000     -0.000000
      2.01274      2.01342      0.00000        -0.000000      0.000000     -0.000000
      1.91207      0.00000      2.01342        -0.000000     -0.000000      0.000000
     -0.10067      2.01342      2.01342         0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.53193672 eV

  energy  without entropy=      -13.48943113  energy(sigma->0) =      -13.51068392
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.8999218E-06 0.900E-06
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0568: real time    0.0568


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   6/ 13
  Displacement:        2/  2
  Total:              12/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_4v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_4v.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    196 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      4.000000
  0.076923  0.076923  0.000000      8.000000
  0.153846  0.076923  0.000000      8.000000
  0.230769  0.076923  0.000000      8.000000
  0.307692  0.076923  0.000000      8.000000
  0.384615  0.076923  0.000000      8.000000
  0.461538  0.076923  0.000000      8.000000
  0.000000  0.153846  0.000000      4.000000
  0.076923  0.153846  0.000000      8.000000
  0.153846  0.153846  0.000000      8.000000
  0.230769  0.153846  0.000000      8.000000
  0.307692  0.153846  0.000000      8.000000
  0.384615  0.153846  0.000000      8.000000
  0.461538  0.153846  0.000000      8.000000
  0.000000  0.230769  0.000000      4.000000
  0.076923  0.230769  0.000000      8.000000
  0.153846  0.230769  0.000000      8.000000
  0.230769  0.230769  0.000000      8.000000
  0.307692  0.230769  0.000000      8.000000
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  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.2649: real time    0.2808
    FEWALD:  cpu time    0.0032: real time    0.0032
    GENKIN:  cpu time    0.0397: real time    0.0397
    ORTHCH:  cpu time    1.2604: real time    1.2605
     LOOP+:  cpu time  218.4556: real time  218.5766


--------------------------------------- Iteration     14(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0461: real time    0.0469
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   14.1307: real time   14.1373
       DOS:  cpu time    0.0110: real time    0.0110
    CHARGE:  cpu time    0.1076: real time    0.1076
    MIXING:  cpu time    0.0024: real time    0.0024
    --------------------------------------------
      LOOP:  cpu time   14.3017: real time   14.3090

 eigenvalue-minimisations  :  5816
 total energy-change (2. order) :-0.2341267E-01  (-0.8102954E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1062154 magnetization 

 Broyden mixing:
  rms(total) = 0.35752E-01    rms(broyden)= 0.35752E-01
  rms(prec ) = 0.10102E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.40309150
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80159116
  PAW double counting   =       429.43706776     -328.09118047
  entropy T*S    EENTRO =        -0.04042149
  eigenvalues    EBANDS =        22.59086331
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55534972 eV

  energy without entropy =      -13.51492824  energy(sigma->0) =      -13.53513898


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0508: real time    0.0511
    SETDIJ:  cpu time    0.0029: real time    0.0029
     EDDAV:  cpu time   13.6674: real time   13.6739
       DOS:  cpu time    0.0135: real time    0.0135
    CHARGE:  cpu time    0.1070: real time    0.1070
    MIXING:  cpu time    0.0033: real time    0.0033
    --------------------------------------------
      LOOP:  cpu time   13.8450: real time   13.8517

 eigenvalue-minimisations  :  5540
 total energy-change (2. order) : 0.2804375E-02  (-0.1391904E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1061161 magnetization 

 Broyden mixing:
  rms(total) = 0.22783E-01    rms(broyden)= 0.22783E-01
  rms(prec ) = 0.62900E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.6446
  2.6446

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39909408
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80214285
  PAW double counting   =       429.42464797     -328.07844117
  entropy T*S    EENTRO =        -0.04029598
  eigenvalues    EBANDS =        22.58977695
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55254535 eV

  energy without entropy =      -13.51224937  energy(sigma->0) =      -13.53239736


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0505: real time    0.0509
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   14.1901: real time   14.1946
       DOS:  cpu time    0.0115: real time    0.0116
    CHARGE:  cpu time    0.1090: real time    0.1090
    MIXING:  cpu time    0.0054: real time    0.0054
    --------------------------------------------
      LOOP:  cpu time   14.3701: real time   14.3751

 eigenvalue-minimisations  :  5892
 total energy-change (2. order) : 0.2417152E-02  (-0.4657492E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060006 magnetization 

 Broyden mixing:
  rms(total) = 0.34822E-02    rms(broyden)= 0.34822E-02
  rms(prec ) = 0.11261E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9978
  1.2176  2.7780

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39831755
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80208830
  PAW double counting   =       428.71050951     -327.36368498
  entropy T*S    EENTRO =        -0.04010028
  eigenvalues    EBANDS =        22.59054960
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55012820 eV

  energy without entropy =      -13.51002791  energy(sigma->0) =      -13.53007805


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0482: real time    0.0485
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   13.9470: real time   13.9535
       DOS:  cpu time    0.0119: real time    0.0119
    CHARGE:  cpu time    0.1086: real time    0.1086
    MIXING:  cpu time    0.0057: real time    0.0057
    --------------------------------------------
      LOOP:  cpu time   14.1253: real time   14.1321

 eigenvalue-minimisations  :  5632
 total energy-change (2. order) : 0.2400747E-04  (-0.4847077E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060046 magnetization 

 Broyden mixing:
  rms(total) = 0.81613E-03    rms(broyden)= 0.81613E-03
  rms(prec ) = 0.13535E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7993
  2.8196  1.1800  1.3981

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39803825
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80195887
  PAW double counting   =       428.79462469     -327.44750615
  entropy T*S    EENTRO =        -0.04006839
  eigenvalues    EBANDS =        22.58983896
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55010419 eV

  energy without entropy =      -13.51003580  energy(sigma->0) =      -13.53006999


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0478: real time    0.0482
    SETDIJ:  cpu time    0.0030: real time    0.0030
     EDDAV:  cpu time   13.8600: real time   13.8665
       DOS:  cpu time    0.0115: real time    0.0115
    --------------------------------------------
      LOOP:  cpu time   13.9224: real time   13.9293

 eigenvalue-minimisations  :  5908
 total energy-change (2. order) :-0.5964549E-05  (-0.1437297E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060046 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39782304
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80197175
  PAW double counting   =       428.71605301     -327.36889876
  entropy T*S    EENTRO =        -0.04006583
  eigenvalues    EBANDS =        22.58959239
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55011015 eV

  energy without entropy =      -13.51004432  energy(sigma->0) =      -13.53007724


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2471       2 -74.2395       3 -74.2397       4 -74.2392
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5664     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6244      2.00000
      2       4.3277      2.00000
      3       4.3277      2.00000
      4       4.3347      2.00000
      5       5.5483      1.99833
      6       5.5517      1.99827
      7       7.6013      0.00000
      8      12.5098      0.00000
      9      12.5099      0.00000
     10      12.5126      0.00000
     11      12.8069      0.00000
     12      12.8084      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6457      2.00000
      3       4.3768      2.00000
      4       4.3768      2.00000
      5       5.6012      1.99717
      6       6.1568      1.46315
      7       7.8018      0.00000
      8      11.5758      0.00000
      9      11.5758      0.00000
     10      12.1698      0.00000
     11      12.8578      0.00000
     12      12.9843      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4279      2.00000
      2       2.6162      2.00000
      3       4.5235      2.00000
      4       4.5235      2.00000
      5       5.7597      1.98627
      6       6.7602      0.01297
      7       8.5742      0.00000
      8      10.4585      0.00000
      9      10.4585      0.00000
     10      11.4062      0.00000
     11      12.8179      0.00000
     12      13.0027      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1861      2.00000
      2       1.6223      2.00000
      3       4.7668      2.00000
      4       4.7668      2.00000
      5       6.0226      1.82498
      6       7.0443      0.00076
      7       9.4221      0.00000
      8       9.4221      0.00000
      9       9.8448      0.00000
     10      10.5259      0.00000
     11      12.3339      0.00000
     12      13.2340      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8579      2.00000
      2       0.7178      2.00000
      3       5.1028      1.99998
      4       5.1028      1.99998
      5       6.3884      0.42402
      6       7.2190      0.00013
      7       8.4871      0.00000
      8       8.4871      0.00000
      9       9.6530      0.00000
     10      11.2334      0.00000
     11      12.0177      0.00000
     12      13.5427      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4681      2.00000
      2      -0.0599      2.00000
      3       5.5191      1.99875
      4       5.5191      1.99875
      5       6.8537      0.00512
      6       7.3450      0.00004
      7       7.6705      0.00000
      8       7.6705      0.00000
      9       8.8354      0.00000
     10      11.4262      0.00000
     11      13.1404      0.00000
     12      13.8916      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1168      2.00000
      2      -0.6061      2.00000
      3       5.9438      1.91648
      4       5.9438      1.91647
      5       7.0454      0.00075
      6       7.0454      0.00075
      7       7.4072      0.00002
      8       7.4156      0.00002
      9       8.1024      0.00000
     10      11.2733      0.00000
     11      14.1638      0.00000
     12      14.5172      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6402      2.00000
      3       4.3767      2.00000
      4       4.3837      2.00000
      5       5.6037      1.99710
      6       6.1542      1.47344
      7       7.8004      0.00000
      8      11.5711      0.00000
      9      11.5761      0.00000
     10      12.1683      0.00000
     11      12.8544      0.00000
     12      12.9950      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5257      2.00000
      2       3.5652      2.00000
      3       3.8396      2.00000
      4       4.4258      2.00000
      5       5.9326      1.92495
      6       6.5059      0.15342
      7       7.9537      0.00000
      8      10.8393      0.00000
      9      11.4718      0.00000
     10      11.8597      0.00000
     11      12.3580      0.00000
     12      12.8478      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3784      2.00000
      2       2.6487      2.00000
      3       3.8802      2.00000
      4       4.5725      2.00000
      5       6.1438      1.51257
      6       7.1329      0.00031
      7       8.6229      0.00000
      8       9.8304      0.00000
      9      10.4992      0.00000
     10      11.7942      0.00000
     11      11.8385      0.00000
     12      12.8756      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1364      2.00000
      2       1.6635      2.00000
      3       4.1146      2.00000
      4       4.8157      2.00000
      5       6.3881      0.42482
      6       7.4355      0.00002
      7       8.8246      0.00000
      8       9.4691      0.00000
      9       9.9056      0.00000
     10      10.9719      0.00000
     11      12.0629      0.00000
     12      12.5088      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8078      2.00000
      2       0.7614      2.00000
      3       4.4438      2.00000
      4       5.1517      1.99997
      5       6.6774      0.02945
      6       7.5840      0.00000
      7       8.0355      0.00000
      8       8.5354      0.00000
      9      10.1182      0.00000
     10      11.3459      0.00000
     11      12.1199      0.00000
     12      12.3804      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4172      2.00000
      2      -0.0161      2.00000
      3       4.8482      2.00000
      4       5.5679      1.99797
      5       6.7515      0.01414
      6       7.4463      0.00001
      7       7.7192      0.00000
      8       7.8869      0.00000
      9       9.3430      0.00000
     10      11.6174      0.00000
     11      12.7606      0.00000
     12      13.0931      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0642      2.00000
      2      -0.5635      2.00000
      3       5.2488      1.99992
      4       5.9923      1.86773
      5       6.3372      0.61941
      6       7.0945      0.00046
      7       7.6135      0.00000
      8       8.1150      0.00000
      9       8.6735      0.00000
     10      11.4448      0.00000
     11      13.1050      0.00000
     12      14.1337      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4281      2.00000
      2       2.6118      2.00000
      3       4.5234      2.00000
      4       4.5303      2.00000
      5       5.7620      1.98594
      6       6.7600      0.01300
      7       8.5690      0.00000
      8      10.4538      0.00000
      9      10.4603      0.00000
     10      11.4051      0.00000
     11      12.8116      0.00000
     12      12.9982      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6445      2.00000
      3       3.8854      2.00000
      4       4.5725      2.00000
      5       6.1451      1.50793
      6       7.1347      0.00031
      7       8.6184      0.00000
      8       9.8313      0.00000
      9      10.4946      0.00000
     10      11.7916      0.00000
     11      11.8434      0.00000
     12      12.8804      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2309      2.00000
      2       2.5826      2.00000
      3       3.0717      2.00000
      4       4.7191      2.00000
      5       6.4079      0.36234
      6       8.0480      0.00000
      7       8.6537      0.00000
      8       9.1597      0.00000
      9      10.4928      0.00000
     10      10.8467      0.00000
     11      11.8445      0.00000
     12      12.6321      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9882      2.00000
      2       1.7733      2.00000
      3       3.1260      2.00000
      4       4.9622      2.00000
      5       6.5667      0.08652
      6       7.9164      0.00000
      7       8.5945      0.00000
      8       9.6057      0.00000
      9      10.0330      0.00000
     10      10.9281      0.00000
     11      11.3331      0.00000
     12      12.6348      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6582      2.00000
      2       0.8883      2.00000
      3       3.4291      2.00000
      4       5.2981      1.99986
      5       6.4576      0.23729
      6       7.4663      0.00001
      7       8.6791      0.00000
      8       8.8184      0.00000
      9      10.6508      0.00000
     10      11.2413      0.00000
     11      11.5000      0.00000
     12      12.5260      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2650      2.00000
      2       0.1136      2.00000
      3       3.8135      2.00000
      4       5.7139      1.99129
      5       5.9144      1.93706
      6       7.5781      0.00000
      7       7.8648      0.00000
      8       8.9541      0.00000
      9      10.1174      0.00000
     10      11.6259      0.00000
     11      12.2073      0.00000
     12      12.8458      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9070      2.00000
      2      -0.4371      2.00000
      3       4.1824      2.00000
      4       5.4039      1.99961
      5       6.1377      1.53486
      6       7.2412      0.00011
      7       7.7963      0.00000
      8       8.9590      0.00000
      9       9.8252      0.00000
     10      11.9802      0.00000
     11      11.9859      0.00000
     12      13.3967      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6188      2.00000
      3       4.7666      2.00000
      4       4.7733      2.00000
      5       6.0247      1.82158
      6       7.0452      0.00076
      7       9.4178      0.00000
      8       9.4237      0.00000
      9       9.8389      0.00000
     10      10.5254      0.00000
     11      12.3294      0.00000
     12      13.2316      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1367      2.00000
      2       1.6601      2.00000
      3       4.1198      2.00000
      4       4.8156      2.00000
      5       6.3891      0.42156
      6       7.4389      0.00001
      7       8.8259      0.00000
      8       9.4648      0.00000
      9       9.8988      0.00000
     10      10.9709      0.00000
     11      12.0679      0.00000
     12      12.5073      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9884      2.00000
      2       1.7702      2.00000
      3       3.1298      2.00000
      4       4.9622      2.00000
      5       6.5667      0.08656
      6       7.9175      0.00000
      7       8.5992      0.00000
      8       9.6016      0.00000
      9      10.0266      0.00000
     10      10.9326      0.00000
     11      11.3311      0.00000
     12      12.6397      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7442      2.00000
      2       1.7615      2.00000
      3       2.3762      2.00000
      4       5.2051      1.99995
      5       6.3585      0.53223
      6       7.4619      0.00001
      7       9.7071      0.00000
      8       9.7374      0.00000
      9      10.0229      0.00000
     10      10.3554      0.00000
     11      11.2946      0.00000
     12      12.4465      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4118      2.00000
      2       1.0770      2.00000
      3       2.4675      2.00000
      4       5.5406      1.99845
      5       5.7126      1.99140
      6       7.5413      0.00001
      7       8.9122      0.00000
      8      10.0092      0.00000
      9      10.2073      0.00000
     10      11.0938      0.00000
     11      11.4348      0.00000
     12      12.6283      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0137      2.00000
      2       0.3215      2.00000
      3       2.8121      2.00000
      4       5.0246      1.99999
      5       5.9560      1.90614
      6       7.8088      0.00000
      7       8.1042      0.00000
      8       9.7701      0.00000
      9      10.5903      0.00000
     10      11.1176      0.00000
     11      12.1634      0.00000
     12      12.9248      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6462      2.00000
      2      -0.2328      2.00000
      3       3.1457      2.00000
      4       4.5144      2.00000
      5       6.3789      0.45635
      6       7.4827      0.00001
      7       8.0567      0.00000
      8       9.4670      0.00000
      9      10.9506      0.00000
     10      11.2481      0.00000
     11      12.3633      0.00000
     12      12.4768      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8586      2.00000
      2       0.7150      2.00000
      3       5.1027      1.99998
      4       5.1091      1.99998
      5       6.3901      0.41817
      6       7.2200      0.00013
      7       8.4832      0.00000
      8       8.4911      0.00000
      9       9.6530      0.00000
     10      11.2270      0.00000
     11      12.0123      0.00000
     12      13.5445      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8084      2.00000
      2       0.7586      2.00000
      3       4.4488      2.00000
      4       5.1516      1.99997
      5       6.6775      0.02942
      6       7.5879      0.00000
      7       8.0384      0.00000
      8       8.5315      0.00000
      9      10.1182      0.00000
     10      11.3390      0.00000
     11      12.1171      0.00000
     12      12.3854      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6587      2.00000
      2       0.8857      2.00000
      3       3.4329      2.00000
      4       5.2980      1.99986
      5       6.4579      0.23667
      6       7.4671      0.00001
      7       8.6752      0.00000
      8       8.8239      0.00000
      9      10.6496      0.00000
     10      11.2459      0.00000
     11      11.4930      0.00000
     12      12.5297      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0748      2.00000
      3       2.4702      2.00000
      4       5.5406      1.99845
      5       5.7131      1.99136
      6       7.5412      0.00001
      7       8.9085      0.00000
      8      10.0129      0.00000
      9      10.2113      0.00000
     10      11.0953      0.00000
     11      11.4307      0.00000
     12      12.6282      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0753      2.00000
      2       1.1361      2.00000
      3       1.7990      2.00000
      4       4.9130      2.00000
      5       5.8757      1.95682
      6       7.7986      0.00000
      7       9.1174      0.00000
      8       9.3950      0.00000
      9      10.4706      0.00000
     10      11.3186      0.00000
     11      11.9577      0.00000
     12      12.7808      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6689      2.00000
      2       0.5814      2.00000
      3       1.9143      2.00000
      4       4.2070      2.00000
      5       6.2906      0.83414
      6       8.1242      0.00000
      7       8.4284      0.00000
      8       9.6632      0.00000
      9      10.1325      0.00000
     10      11.5151      0.00000
     11      11.9910      0.00000
     12      12.4928      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2851      2.00000
      2       0.0345      2.00000
      3       2.1912      2.00000
      4       3.7191      2.00000
      5       6.7132      0.02068
      6       7.8116      0.00000
      7       8.4095      0.00000
      8       9.7670      0.00000
      9      10.0239      0.00000
     10      11.4228      0.00000
     11      11.6675      0.00000
     12      12.7838      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4693      2.00000
      2      -0.0620      2.00000
      3       5.5191      1.99875
      4       5.5249      1.99868
      5       6.8547      0.00507
      6       7.3447      0.00004
      7       7.6666      0.00000
      8       7.6772      0.00000
      9       8.8359      0.00000
     10      11.4240      0.00000
     11      13.1300      0.00000
     12      13.8897      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0181      2.00000
      3       4.8529      2.00000
      4       5.5679      1.99797
      5       6.7518      0.01410
      6       7.4482      0.00001
      7       7.7154      0.00000
      8       7.8915      0.00000
      9       9.3446      0.00000
     10      11.6161      0.00000
     11      12.7657      0.00000
     12      13.0852      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2659      2.00000
      2       0.1117      2.00000
      3       3.8172      2.00000
      4       5.7140      1.99128
      5       5.9157      1.93624
      6       7.5776      0.00000
      7       7.8610      0.00000
      8       8.9585      0.00000
      9      10.1199      0.00000
     10      11.6305      0.00000
     11      12.2081      0.00000
     12      12.8453      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3198      2.00000
      3       2.8148      2.00000
      4       5.0256      1.99999
      5       5.9561      1.90603
      6       7.8081      0.00000
      7       8.1005      0.00000
      8       9.7710      0.00000
      9      10.5945      0.00000
     10      11.1238      0.00000
     11      12.1658      0.00000
     12      12.9255      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5801      2.00000
      3       1.9161      2.00000
      4       4.2075      2.00000
      5       6.2907      0.83338
      6       8.1237      0.00000
      7       8.4248      0.00000
      8       9.6669      0.00000
      9      10.1318      0.00000
     10      11.5171      0.00000
     11      11.9912      0.00000
     12      12.5009      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2479      2.00000
      2       0.7158      2.00000
      3       1.2959      2.00000
      4       3.5186      2.00000
      5       6.7055      0.02231
      6       8.5001      0.00000
      7       8.7241      0.00000
      8       8.9494      0.00000
      9      10.1844      0.00000
     10      11.0387      0.00000
     11      11.1905      0.00000
     12      13.5204      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8334      2.00000
      2       0.3264      2.00000
      3       1.3432      2.00000
      4       3.0676      2.00000
      5       7.1305      0.00032
      6       8.2042      0.00000
      7       8.8474      0.00000
      8       9.2119      0.00000
      9       9.9475      0.00000
     10      10.6205      0.00000
     11      10.8972      0.00000
     12      13.4400      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1185      2.00000
      2      -0.6075      2.00000
      3       5.9446      1.91577
      4       5.9490      1.91219
      5       7.0407      0.00079
      6       7.0465      0.00075
      7       7.4096      0.00002
      8       7.4201      0.00002
      9       8.1032      0.00000
     10      11.2714      0.00000
     11      14.1663      0.00000
     12      14.5265      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5648      2.00000
      3       5.2533      1.99991
      4       5.9932      1.86661
      5       6.3393      0.61036
      6       7.0899      0.00048
      7       7.6124      0.00000
      8       8.1201      0.00000
      9       8.6766      0.00000
     10      11.4436      0.00000
     11      13.1104      0.00000
     12      14.1392      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9084      2.00000
      2      -0.4383      2.00000
      3       4.1859      2.00000
      4       5.4057      1.99960
      5       6.1386      1.53147
      6       7.2366      0.00011
      7       7.7949      0.00000
      8       8.9613      0.00000
      9       9.8315      0.00000
     10      11.9852      0.00000
     11      11.9867      0.00000
     12      13.4153      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6474      2.00000
      2      -0.2339      2.00000
      3       3.1483      2.00000
      4       4.5158      2.00000
      5       6.3799      0.45285
      6       7.4782      0.00001
      7       8.0554      0.00000
      8       9.4673      0.00000
      9      10.9552      0.00000
     10      11.2565      0.00000
     11      12.3637      0.00000
     12      12.4832      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2860      2.00000
      2       0.0337      2.00000
      3       2.1929      2.00000
      4       3.7200      2.00000
      5       6.7142      0.02047
      6       7.8072      0.00000
      7       8.4085      0.00000
      8       9.7667      0.00000
      9      10.0281      0.00000
     10      11.4227      0.00000
     11      11.6700      0.00000
     12      12.7945      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8339      2.00000
      2       0.3259      2.00000
      3       1.3441      2.00000
      4       3.0680      2.00000
      5       7.1313      0.00032
      6       8.1997      0.00000
      7       8.8469      0.00000
      8       9.2160      0.00000
      9       9.9470      0.00000
     10      10.6202      0.00000
     11      10.8985      0.00000
     12      13.4408      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3488      2.00000
      2       0.5048      2.00000
      3       0.7067      2.00000
      4       2.6612      2.00000
      5       7.5690      0.00000
      6       8.5274      0.00000
      7       8.6113      0.00000
      8       9.3181      0.00000
      9      10.0078      0.00000
     10      10.0567      0.00000
     11      10.2859      0.00000
     12      13.3351      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5258      2.00000
      2       3.5622      2.00000
      3       3.8371      2.00000
      4       4.4327      2.00000
      5       5.9349      1.92326
      6       6.5030      0.15758
      7       7.9526      0.00000
      8      10.8342      0.00000
      9      11.4746      0.00000
     10      11.8631      0.00000
     11      12.3607      0.00000
     12      12.8502      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4764      2.00000
      2       3.6130      2.00000
      3       3.6170      2.00000
      4       4.0638      2.00000
      5       6.5533      0.09829
      6       6.5572      0.09476
      7       8.0779      0.00000
      8      10.7454      0.00000
      9      10.7485      0.00000
     10      11.3251      0.00000
     11      12.6481      0.00000
     12      13.3227      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3290      2.00000
      2       2.6845      2.00000
      3       3.7649      2.00000
      4       4.1220      2.00000
      5       6.7032      0.02283
      6       7.2989      0.00006
      7       8.6672      0.00000
      8       9.7003      0.00000
      9      10.0549      0.00000
     10      11.1900      0.00000
     11      12.2585      0.00000
     12      13.2433      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0867      2.00000
      2       1.7055      2.00000
      3       4.0171      2.00000
      4       4.3352      2.00000
      5       6.9458      0.00204
      6       7.5941      0.00000
      7       8.6979      0.00000
      8       9.0954      0.00000
      9       9.9751      0.00000
     10      11.3725      0.00000
     11      11.4262      0.00000
     12      12.7792      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7577      2.00000
      2       0.8053      2.00000
      3       4.3674      2.00000
      4       4.6329      2.00000
      5       7.2183      0.00013
      6       7.6009      0.00000
      7       7.8480      0.00000
      8       8.4798      0.00000
      9      10.5653      0.00000
     10      11.3382      0.00000
     11      11.6485      0.00000
     12      12.4261      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3662      2.00000
      2       0.0280      2.00000
      3       4.8085      2.00000
      4       4.9832      1.99999
      5       6.8244      0.00685
      6       7.2122      0.00014
      7       7.8631      0.00000
      8       8.3004      0.00000
      9       9.7567      0.00000
     10      11.6910      0.00000
     11      12.0863      0.00000
     12      13.2394      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0117      2.00000
      2      -0.5206      2.00000
      3       5.2879      1.99988
      4       5.2955      1.99987
      5       6.1712      1.40474
      6       6.7905      0.00960
      7       8.3186      0.00000
      8       8.3800      0.00000
      9       9.0284      0.00000
     10      11.5689      0.00000
     11      12.3664      0.00000
     12      13.8850      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6443      2.00000
      3       3.8802      2.00000
      4       4.5793      2.00000
      5       6.1467      1.50202
      6       7.1318      0.00032
      7       8.6178      0.00000
      8       9.8262      0.00000
      9      10.5010      0.00000
     10      11.7913      0.00000
     11      11.8466      0.00000
     12      12.8834      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3291      2.00000
      2       2.6803      2.00000
      3       3.7679      2.00000
      4       4.1243      2.00000
      5       6.7059      0.02223
      6       7.2989      0.00006
      7       8.6626      0.00000
      8       9.6992      0.00000
      9      10.0531      0.00000
     10      11.1948      0.00000
     11      12.2573      0.00000
     12      13.2673      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1813      2.00000
      2       2.6341      2.00000
      3       3.0703      2.00000
      4       4.1440      2.00000
      5       7.0878      0.00049
      6       8.0887      0.00000
      7       8.7029      0.00000
      8       9.0990      0.00000
      9       9.8188      0.00000
     10      10.4924      0.00000
     11      12.4822      0.00000
     12      13.1080      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9384      2.00000
      2       1.8181      2.00000
      3       3.1482      2.00000
      4       4.3600      2.00000
      5       7.1872      0.00018
      6       8.0222      0.00000
      7       8.4983      0.00000
      8       9.1910      0.00000
      9       9.9028      0.00000
     10      10.6049      0.00000
     11      11.9354      0.00000
     12      13.1306      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6080      2.00000
      2       0.9333      2.00000
      3       3.4599      2.00000
      4       4.6637      2.00000
      5       6.7393      0.01597
      6       7.8615      0.00000
      7       8.0769      0.00000
      8       9.1126      0.00000
      9      10.5284      0.00000
     10      11.1510      0.00000
     11      11.7028      0.00000
     12      12.8256      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2140      2.00000
      2       0.1584      2.00000
      3       3.8521      2.00000
      4       5.0214      1.99999
      5       6.0481      1.77983
      6       7.3008      0.00006
      7       8.2577      0.00000
      8       9.2718      0.00000
      9      10.4514      0.00000
     10      10.9421      0.00000
     11      12.3382      0.00000
     12      13.1530      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8545      2.00000
      2      -0.3935      2.00000
      3       4.2298      2.00000
      4       5.2817      1.99988
      5       5.5663      1.99800
      6       6.8027      0.00850
      7       8.5619      0.00000
      8       9.4164      0.00000
      9       9.9399      0.00000
     10      11.2822      0.00000
     11      11.9833      0.00000
     12      13.0365      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6600      2.00000
      3       4.1145      2.00000
      4       4.8223      2.00000
      5       6.3909      0.41562
      6       7.4356      0.00002
      7       8.8207      0.00000
      8       9.4710      0.00000
      9       9.8998      0.00000
     10      10.9713      0.00000
     11      12.0648      0.00000
     12      12.5121      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0870      2.00000
      2       1.7020      2.00000
      3       4.0200      2.00000
      4       4.3375      2.00000
      5       6.9481      0.00199
      6       7.5960      0.00000
      7       8.6973      0.00000
      8       9.0934      0.00000
      9       9.9689      0.00000
     10      11.3759      0.00000
     11      11.4268      0.00000
     12      12.7770      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9386      2.00000
      2       1.8150      2.00000
      3       3.1521      2.00000
      4       4.3600      2.00000
      5       7.1871      0.00018
      6       8.0234      0.00000
      7       8.5013      0.00000
      8       9.1885      0.00000
      9       9.9007      0.00000
     10      10.6052      0.00000
     11      11.9331      0.00000
     12      13.1358      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6943      2.00000
      2       1.8135      2.00000
      3       2.4042      2.00000
      4       4.5730      2.00000
      5       6.6601      0.03492
      6       7.9145      0.00000
      7       8.9551      0.00000
      8       9.4178      0.00000
      9       9.9106      0.00000
     10      10.6839      0.00000
     11      11.9747      0.00000
     12      12.8216      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       1.1245      2.00000
      3       2.5054      2.00000
      4       4.8510      2.00000
      5       5.9064      1.94174
      6       8.0925      0.00000
      7       8.3532      0.00000
      8       9.6001      0.00000
      9      10.3422      0.00000
     10      11.5412      0.00000
     11      11.7873      0.00000
     12      12.8216      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9627      2.00000
      2       0.3676      2.00000
      3       2.8555      2.00000
      4       4.9216      2.00000
      5       5.4880      1.99909
      6       7.5295      0.00001
      7       8.5228      0.00000
      8       9.9297      0.00000
      9      10.3433      0.00000
     10      11.2543      0.00000
     11      12.3469      0.00000
     12      12.8011      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5938      2.00000
      2      -0.1882      2.00000
      3       3.1949      2.00000
      4       4.5149      2.00000
      5       5.7221      1.99055
      6       6.9995      0.00119
      7       8.8223      0.00000
      8       9.9955      0.00000
      9      10.3125      0.00000
     10      11.2888      0.00000
     11      11.8102      0.00000
     12      13.0851      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8085      2.00000
      2       0.7586      2.00000
      3       4.4436      2.00000
      4       5.1580      1.99997
      5       6.6798      0.02877
      6       7.5831      0.00000
      7       8.0339      0.00000
      8       8.5393      0.00000
      9      10.1179      0.00000
     10      11.3384      0.00000
     11      12.1105      0.00000
     12      12.3932      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7583      2.00000
      2       0.8025      2.00000
      3       4.3700      2.00000
      4       4.6350      2.00000
      5       7.2185      0.00013
      6       7.6031      0.00000
      7       7.8490      0.00000
      8       8.4800      0.00000
      9      10.5654      0.00000
     10      11.3328      0.00000
     11      11.6505      0.00000
     12      12.4241      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6086      2.00000
      2       0.9307      2.00000
      3       3.4637      2.00000
      4       4.6636      2.00000
      5       6.7399      0.01587
      6       7.8603      0.00000
      7       8.0769      0.00000
      8       9.1169      0.00000
      9      10.5318      0.00000
     10      11.1491      0.00000
     11      11.6967      0.00000
     12      12.8265      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1222      2.00000
      3       2.5082      2.00000
      4       4.8509      2.00000
      5       5.9069      1.94147
      6       8.0913      0.00000
      7       8.3516      0.00000
      8       9.6034      0.00000
      9      10.3476      0.00000
     10      11.5387      0.00000
     11      11.7828      0.00000
     12      12.8239      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0248      2.00000
      2       1.1883      2.00000
      3       1.8364      2.00000
      4       4.8115      2.00000
      5       5.4340      1.99947
      6       8.3996      0.00000
      7       8.4298      0.00000
      8       8.9549      0.00000
      9      11.1873      0.00000
     10      11.8082      0.00000
     11      12.0749      0.00000
     12      12.1193      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6179      2.00000
      2       0.6300      2.00000
      3       1.9588      2.00000
      4       4.2142      2.00000
      5       5.7006      1.99237
      6       7.8217      0.00000
      7       8.8208      0.00000
      8       9.0838      0.00000
      9      10.8213      0.00000
     10      11.4657      0.00000
     11      12.1809      0.00000
     12      12.6117      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2328      2.00000
      2       0.0811      2.00000
      3       2.2413      2.00000
      4       3.7366      2.00000
      5       6.0537      1.76868
      6       7.2812      0.00007
      7       9.1584      0.00000
      8       9.3705      0.00000
      9      10.3103      0.00000
     10      11.0864      0.00000
     11      12.4023      0.00000
     12      12.8533      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0181      2.00000
      3       4.8479      2.00000
      4       5.5738      1.99785
      5       6.7506      0.01428
      6       7.4456      0.00001
      7       7.7244      0.00000
      8       7.8884      0.00000
      9       9.3426      0.00000
     10      11.6144      0.00000
     11      12.7674      0.00000
     12      13.0851      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3673      2.00000
      2       0.0260      2.00000
      3       4.8109      2.00000
      4       4.9853      1.99999
      5       6.8233      0.00692
      6       7.2130      0.00014
      7       7.8661      0.00000
      8       8.3024      0.00000
      9       9.7573      0.00000
     10      11.6900      0.00000
     11      12.0906      0.00000
     12      13.2295      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2150      2.00000
      2       0.1565      2.00000
      3       3.8557      2.00000
      4       5.0212      1.99999
      5       6.0493      1.77739
      6       7.2982      0.00006
      7       8.2575      0.00000
      8       9.2769      0.00000
      9      10.4523      0.00000
     10      10.9466      0.00000
     11      12.3381      0.00000
     12      13.1464      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9634      2.00000
      2       0.3659      2.00000
      3       2.8583      2.00000
      4       4.9223      2.00000
      5       5.4882      1.99908
      6       7.5266      0.00001
      7       8.5224      0.00000
      8       9.9331      0.00000
      9      10.3456      0.00000
     10      11.2586      0.00000
     11      12.3470      0.00000
     12      12.8027      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6183      2.00000
      2       0.6286      2.00000
      3       1.9606      2.00000
      4       4.2147      2.00000
      5       5.7006      1.99237
      6       7.8189      0.00000
      7       8.8212      0.00000
      8       9.0863      0.00000
      9      10.8195      0.00000
     10      11.4672      0.00000
     11      12.1834      0.00000
     12      12.6182      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1966      2.00000
      2       0.7682      2.00000
      3       1.3400      2.00000
      4       3.5396      2.00000
      5       6.0837      1.69974
      6       8.0138      0.00000
      7       8.4366      0.00000
      8       9.2139      0.00000
      9      10.6962      0.00000
     10      10.9769      0.00000
     11      11.7551      0.00000
     12      13.9385      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7813      2.00000
      2       0.3758      2.00000
      3       1.3938      2.00000
      4       3.0892      2.00000
      5       6.4741      0.20497
      6       7.6018      0.00000
      7       8.5567      0.00000
      8       9.5808      0.00000
      9      10.1484      0.00000
     10      10.7924      0.00000
     11      11.6479      0.00000
     12      13.8570      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5648      2.00000
      3       5.2487      1.99992
      4       5.9978      1.86075
      5       6.3343      0.63186
      6       7.0973      0.00045
      7       7.6197      0.00000
      8       8.1155      0.00000
      9       8.6720      0.00000
     10      11.4426      0.00000
     11      13.1100      0.00000
     12      14.1423      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0133      2.00000
      2      -0.5219      2.00000
      3       5.2837      1.99988
      4       5.3043      1.99985
      5       6.1703      1.40870
      6       6.7910      0.00955
      7       8.3206      0.00000
      8       8.3835      0.00000
      9       9.0290      0.00000
     10      11.5677      0.00000
     11      12.3709      0.00000
     12      13.8878      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8560      2.00000
      2      -0.3948      2.00000
      3       4.2332      2.00000
      4       5.2833      1.99988
      5       5.5661      1.99801
      6       6.8003      0.00871
      7       8.5608      0.00000
      8       9.4194      0.00000
      9       9.9447      0.00000
     10      11.2879      0.00000
     11      11.9811      0.00000
     12      13.0396      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5951      2.00000
      2      -0.1892      2.00000
      3       3.1975      2.00000
      4       4.5162      2.00000
      5       5.7221      1.99055
      6       6.9965      0.00123
      7       8.8214      0.00000
      8       9.9959      0.00000
      9      10.3157      0.00000
     10      11.2976      0.00000
     11      11.8096      0.00000
     12      13.0924      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2338      2.00000
      2       0.0802      2.00000
      3       2.2431      2.00000
      4       3.7375      2.00000
      5       6.0539      1.76824
      6       7.2781      0.00007
      7       9.1578      0.00000
      8       9.3749      0.00000
      9      10.3071      0.00000
     10      11.0883      0.00000
     11      12.4051      0.00000
     12      12.8632      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7818      2.00000
      2       0.3753      2.00000
      3       1.3948      2.00000
      4       3.0896      2.00000
      5       6.4744      0.20433
      6       7.5987      0.00000
      7       8.5598      0.00000
      8       9.5818      0.00000
      9      10.1448      0.00000
     10      10.7941      0.00000
     11      11.6491      0.00000
     12      13.8583      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2968      2.00000
      2       0.5572      2.00000
      3       0.7577      2.00000
      4       2.6821      2.00000
      5       6.9190      0.00267
      6       7.8170      0.00000
      7       7.9631      0.00000
      8       9.7165      0.00000
      9      10.0874      0.00000
     10      10.8057      0.00000
     11      11.0562      0.00000
     12      13.7180      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2311      2.00000
      2       2.5800      2.00000
      3       3.0700      2.00000
      4       4.7259      2.00000
      5       6.4108      0.35375
      6       8.0453      0.00000
      7       8.6486      0.00000
      8       9.1574      0.00000
      9      10.4965      0.00000
     10      10.8501      0.00000
     11      11.8504      0.00000
     12      12.6338      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1815      2.00000
      2       2.6315      2.00000
      3       3.0691      2.00000
      4       4.1489      2.00000
      5       7.0917      0.00047
      6       8.0862      0.00000
      7       8.6977      0.00000
      8       9.0983      0.00000
      9       9.8208      0.00000
     10      10.4954      0.00000
     11      12.4864      0.00000
     12      13.1111      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0334      2.00000
      2       2.7859      2.00000
      3       2.7894      2.00000
      4       3.5478      2.00000
      5       8.1591      0.00000
      6       8.1603      0.00000
      7       8.8351      0.00000
      8       8.8540      0.00000
      9       8.8650      0.00000
     10      10.1786      0.00000
     11      13.0586      0.00000
     12      13.7814      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7898      2.00000
      2       1.9426      2.00000
      3       3.0424      2.00000
      4       3.6087      2.00000
      5       7.6323      0.00000
      6       7.9949      0.00000
      7       8.6145      0.00000
      8       9.0801      0.00000
      9       9.3099      0.00000
     10      10.5999      0.00000
     11      12.7744      0.00000
     12      13.6578      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4582      2.00000
      2       1.0650      2.00000
      3       3.3991      2.00000
      4       3.8487      2.00000
      5       6.7351      0.01665
      6       7.3073      0.00005
      7       8.9215      0.00000
      8       9.3933      0.00000
      9       9.6684      0.00000
     10      11.8375      0.00000
     11      12.0270      0.00000
     12      12.9309      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0618      2.00000
      2       0.2910      2.00000
      3       3.8505      2.00000
      4       4.1377      2.00000
      5       5.9009      1.94476
      6       6.6905      0.02588
      7       9.3572      0.00000
      8       9.6918      0.00000
      9       9.9374      0.00000
     10      11.2567      0.00000
     11      12.1573      0.00000
     12      12.9820      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6974      2.00000
      2      -0.2645      2.00000
      3       4.3608      2.00000
      4       4.3685      2.00000
      5       5.1965      1.99995
      6       6.2908      0.83308
      7       9.8274      0.00000
      8       9.8834      0.00000
      9      10.2665      0.00000
     10      10.5564      0.00000
     11      11.5965      0.00000
     12      12.9158      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7697      2.00000
      3       3.1259      2.00000
      4       4.9688      1.99999
      5       6.5691      0.08453
      6       7.9136      0.00000
      7       8.5943      0.00000
      8       9.6078      0.00000
      9      10.0271      0.00000
     10      10.9317      0.00000
     11      11.3375      0.00000
     12      12.6403      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8146      2.00000
      3       3.1484      2.00000
      4       4.3649      2.00000
      5       7.1893      0.00018
      6       8.0209      0.00000
      7       8.4996      0.00000
      8       9.1908      0.00000
      9       9.9004      0.00000
     10      10.6063      0.00000
     11      11.9374      0.00000
     12      13.1371      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       1.9393      2.00000
      3       3.0450      2.00000
      4       3.6101      2.00000
      5       7.6301      0.00000
      6       7.9956      0.00000
      7       8.6176      0.00000
      8       9.0837      0.00000
      9       9.3085      0.00000
     10      10.5961      0.00000
     11      12.7738      0.00000
     12      13.8026      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5451      2.00000
      2       1.9691      2.00000
      3       2.4555      2.00000
      4       3.6313      2.00000
      5       6.8652      0.00456
      6       7.9166      0.00000
      7       8.5397      0.00000
      8       9.1001      0.00000
      9      10.0708      0.00000
     10      10.9334      0.00000
     11      13.0606      0.00000
     12      13.0797      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2113      2.00000
      2       1.2645      2.00000
      3       2.6056      2.00000
      4       3.8879      2.00000
      5       6.0123      1.84076
      6       7.3191      0.00005
      7       8.6473      0.00000
      8       9.4151      0.00000
      9      10.6280      0.00000
     10      11.8700      0.00000
     11      12.3524      0.00000
     12      12.6890      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8104      2.00000
      2       0.5044      2.00000
      3       2.9789      2.00000
      4       4.1971      2.00000
      5       5.2621      1.99990
      6       6.6661      0.03293
      7       8.9707      0.00000
      8       9.7740      0.00000
      9      10.8973      0.00000
     10      11.3881      0.00000
     11      12.0348      0.00000
     12      13.5855      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4371      2.00000
      2      -0.0555      2.00000
      3       3.3409      2.00000
      4       4.4065      2.00000
      5       4.7664      2.00000
      6       6.2236      1.16585
      7       9.2527      0.00000
      8      10.1330      0.00000
      9      10.8112      0.00000
     10      11.1118      0.00000
     11      11.5729      0.00000
     12      13.5024      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6589      2.00000
      2       0.8855      2.00000
      3       3.4288      2.00000
      4       5.3043      1.99985
      5       6.4570      0.23861
      6       7.4672      0.00001
      7       8.6825      0.00000
      8       8.8192      0.00000
      9      10.6504      0.00000
     10      11.2473      0.00000
     11      11.4928      0.00000
     12      12.5294      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6087      2.00000
      2       0.9305      2.00000
      3       3.4598      2.00000
      4       4.6684      2.00000
      5       6.7372      0.01630
      6       7.8642      0.00000
      7       8.0803      0.00000
      8       9.1132      0.00000
      9      10.5322      0.00000
     10      11.1524      0.00000
     11      11.6955      0.00000
     12      12.8247      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4587      2.00000
      2       1.0623      2.00000
      3       3.4014      2.00000
      4       3.8500      2.00000
      5       6.7339      0.01684
      6       7.3070      0.00006
      7       8.9245      0.00000
      8       9.3975      0.00000
      9       9.6710      0.00000
     10      11.8296      0.00000
     11      12.0271      0.00000
     12      12.9297      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2116      2.00000
      2       1.2621      2.00000
      3       2.6085      2.00000
      4       3.8877      2.00000
      5       6.0127      1.84025
      6       7.3168      0.00005
      7       8.6504      0.00000
      8       9.4153      0.00000
      9      10.6344      0.00000
     10      11.8645      0.00000
     11      12.3487      0.00000
     12      12.6891      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8738      2.00000
      2       1.3447      2.00000
      3       1.9428      2.00000
      4       4.1188      2.00000
      5       5.2395      1.99992
      6       7.3381      0.00004
      7       8.0489      0.00000
      8       9.7311      0.00000
      9      11.2784      0.00000
     10      11.8844      0.00000
     11      12.5427      0.00000
     12      12.7913      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4653      2.00000
      2       0.7746      2.00000
      3       2.0899      2.00000
      4       4.1381      2.00000
      5       4.8449      2.00000
      6       6.8533      0.00513
      7       8.1211      0.00000
      8      10.0384      0.00000
      9      10.6859      0.00000
     10      12.0005      0.00000
     11      12.8456      0.00000
     12      13.3134      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0765      2.00000
      2       0.2195      2.00000
      3       2.3909      2.00000
      4       3.7751      2.00000
      5       5.0131      1.99999
      6       6.3870      0.42852
      7       8.3395      0.00000
      8      10.0589      0.00000
      9      10.5429      0.00000
     10      11.6781      0.00000
     11      13.0069      0.00000
     12      13.6617      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2661      2.00000
      2       0.1115      2.00000
      3       3.8130      2.00000
      4       5.7196      1.99078
      5       5.9124      1.93828
      6       7.5793      0.00000
      7       7.8713      0.00000
      8       8.9549      0.00000
      9      10.1168      0.00000
     10      11.6287      0.00000
     11      12.2101      0.00000
     12      12.8434      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2151      2.00000
      2       0.1563      2.00000
      3       3.8517      2.00000
      4       5.0256      1.99999
      5       6.0462      1.78353
      6       7.3032      0.00006
      7       8.2630      0.00000
      8       9.2726      0.00000
      9      10.4520      0.00000
     10      10.9465      0.00000
     11      12.3359      0.00000
     12      13.1463      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0627      2.00000
      2       0.2890      2.00000
      3       3.8527      2.00000
      4       4.1388      2.00000
      5       5.9003      1.94508
      6       6.6904      0.02590
      7       9.3599      0.00000
      8       9.6958      0.00000
      9       9.9414      0.00000
     10      11.2573      0.00000
     11      12.1561      0.00000
     12      12.9813      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5026      2.00000
      3       2.9817      2.00000
      4       4.1969      2.00000
      5       5.2626      1.99990
      6       6.6640      0.03360
      7       8.9742      0.00000
      8       9.7738      0.00000
      9      10.9047      0.00000
     10      11.3859      0.00000
     11      12.0359      0.00000
     12      13.5798      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7731      2.00000
      3       2.0918      2.00000
      4       4.1385      2.00000
      5       4.8448      2.00000
      6       6.8513      0.00524
      7       8.1238      0.00000
      8      10.0386      0.00000
      9      10.6855      0.00000
     10      12.0012      0.00000
     11      12.8513      0.00000
     12      13.3144      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0431      2.00000
      2       0.9250      2.00000
      3       1.4706      2.00000
      4       3.5898      2.00000
      5       5.0875      1.99998
      6       6.9426      0.00211
      7       7.5403      0.00001
      8       9.8497      0.00000
      9      10.6263      0.00000
     10      12.2751      0.00000
     11      12.9052      0.00000
     12      14.0766      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6253      2.00000
      2       0.5231      2.00000
      3       1.5450      2.00000
      4       3.1495      2.00000
      5       5.4291      1.99949
      6       6.6106      0.05666
      7       7.5304      0.00001
      8       9.4971      0.00000
      9      10.9392      0.00000
     10      11.9961      0.00000
     11      12.9233      0.00000
     12      14.5543      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4385      2.00000
      3       4.1818      2.00000
      4       5.4017      1.99961
      5       6.1432      1.51498
      6       7.2440      0.00010
      7       7.8029      0.00000
      8       8.9598      0.00000
      9       9.8238      0.00000
     10      11.9621      0.00000
     11      12.0063      0.00000
     12      13.4024      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8561      2.00000
      2      -0.3950      2.00000
      3       4.2292      2.00000
      4       5.2830      1.99988
      5       5.5674      1.99798
      6       6.8055      0.00827
      7       8.5682      0.00000
      8       9.4178      0.00000
      9       9.9388      0.00000
     10      11.2880      0.00000
     11      11.9786      0.00000
     12      13.0419      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6989      2.00000
      2      -0.2658      2.00000
      3       4.3566      2.00000
      4       4.3762      2.00000
      5       5.1956      1.99995
      6       6.2910      0.83185
      7       9.8299      0.00000
      8       9.8877      0.00000
      9      10.2721      0.00000
     10      10.5568      0.00000
     11      11.5944      0.00000
     12      12.9185      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4383      2.00000
      2      -0.0567      2.00000
      3       3.3435      2.00000
      4       4.4079      2.00000
      5       4.7653      2.00000
      6       6.2220      1.17363
      7       9.2564      0.00000
      8      10.1340      0.00000
      9      10.8077      0.00000
     10      11.1172      0.00000
     11      11.5775      0.00000
     12      13.5055      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0774      2.00000
      2       0.2186      2.00000
      3       2.3927      2.00000
      4       3.7760      2.00000
      5       5.0126      1.99999
      6       6.3850      0.43542
      7       8.3425      0.00000
      8      10.0605      0.00000
      9      10.5402      0.00000
     10      11.6779      0.00000
     11      13.0157      0.00000
     12      13.6658      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6258      2.00000
      2       0.5225      2.00000
      3       1.5461      2.00000
      4       3.1499      2.00000
      5       5.4291      1.99949
      6       6.6086      0.05778
      7       7.5327      0.00001
      8       9.4973      0.00000
      9      10.9384      0.00000
     10      11.9951      0.00000
     11      12.9254      0.00000
     12      14.5650      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1409      2.00000
      2       0.7143      2.00000
      3       0.9102      2.00000
      4       2.7419      2.00000
      5       5.8752      1.95703
      6       6.7434      0.01533
      7       6.9297      0.00240
      8       9.1451      0.00000
      9      11.3843      0.00000
     10      12.1292      0.00000
     11      12.3484      0.00000
     12      14.6342      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7591      2.00000
      3       2.3749      2.00000
      4       5.2114      1.99994
      5       6.3578      0.53511
      6       7.4626      0.00001
      7       9.7113      0.00000
      8       9.7357      0.00000
      9      10.0261      0.00000
     10      10.3517      0.00000
     11      11.3005      0.00000
     12      12.4462      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8111      2.00000
      3       2.4031      2.00000
      4       4.5779      2.00000
      5       6.6580      0.03566
      6       7.9180      0.00000
      7       8.9585      0.00000
      8       9.4201      0.00000
      9       9.9074      0.00000
     10      10.6817      0.00000
     11      11.9803      0.00000
     12      12.8224      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5453      2.00000
      2       1.9668      2.00000
      3       2.4550      2.00000
      4       3.6346      2.00000
      5       6.8621      0.00470
      6       7.9194      0.00000
      7       8.5416      0.00000
      8       9.1055      0.00000
      9      10.0672      0.00000
     10      10.9306      0.00000
     11      13.0705      0.00000
     12      13.0740      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2994      2.00000
      2       2.2254      2.00000
      3       2.2284      2.00000
      4       3.0639      2.00000
      5       6.8983      0.00328
      6       6.9007      0.00320
      7       7.9364      0.00000
      8      10.3162      0.00000
      9      10.3209      0.00000
     10      11.1704      0.00000
     11      12.3440      0.00000
     12      13.7440      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9636      2.00000
      2       1.4832      2.00000
      3       2.5852      2.00000
      4       3.1523      2.00000
      5       5.9570      1.90524
      6       6.5461      0.10530
      7       7.8183      0.00000
      8      10.6597      0.00000
      9      10.8565      0.00000
     10      11.3766      0.00000
     11      12.5479      0.00000
     12      13.5724      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5588      2.00000
      2       0.7258      2.00000
      3       3.0409      2.00000
      4       3.3926      2.00000
      5       5.1078      1.99998
      6       6.0275      1.81709
      7       8.0331      0.00000
      8      10.4495      0.00000
      9      11.0944      0.00000
     10      11.5085      0.00000
     11      12.9348      0.00000
     12      13.9415      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1772      2.00000
      2       0.1599      2.00000
      3       3.5578      2.00000
      4       3.5894      2.00000
      5       4.3931      2.00000
      6       5.6736      1.99417
      7       8.2562      0.00000
      8      10.0647      0.00000
      9      11.6005      0.00000
     10      11.6306      0.00000
     11      12.2871      0.00000
     12      14.0122      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0741      2.00000
      3       2.4672      2.00000
      4       5.5465      1.99836
      5       5.7106      1.99157
      6       7.5444      0.00001
      7       8.9155      0.00000
      8      10.0103      0.00000
      9      10.2129      0.00000
     10      11.0977      0.00000
     11      11.4300      0.00000
     12      12.6259      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1216      2.00000
      3       2.5052      2.00000
      4       4.8552      2.00000
      5       5.9045      1.94283
      6       8.0960      0.00000
      7       8.3568      0.00000
      8       9.6050      0.00000
      9      10.3431      0.00000
     10      11.5428      0.00000
     11      11.7824      0.00000
     12      12.8219      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2617      2.00000
      3       2.6058      2.00000
      4       3.8912      2.00000
      5       6.0099      1.84425
      6       7.3205      0.00005
      7       8.6511      0.00000
      8       9.4214      0.00000
      9      10.6282      0.00000
     10      11.8644      0.00000
     11      12.3511      0.00000
     12      12.6916      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9639      2.00000
      2       1.4806      2.00000
      3       2.5873      2.00000
      4       3.1530      2.00000
      5       5.9559      1.90622
      6       6.5458      0.10557
      7       7.8209      0.00000
      8      10.6621      0.00000
      9      10.8614      0.00000
     10      11.3743      0.00000
     11      12.5421      0.00000
     12      13.5727      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6247      2.00000
      2       1.6044      2.00000
      3       2.0818      2.00000
      4       3.2274      2.00000
      5       5.3115      1.99984
      6       6.3067      0.75690
      7       7.2560      0.00009
      8      10.3485      0.00000
      9      11.2281      0.00000
     10      12.2117      0.00000
     11      13.0125      0.00000
     12      13.9502      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2130      2.00000
      2       1.0106      2.00000
      3       2.2953      2.00000
      4       3.5075      2.00000
      5       4.5847      2.00000
      6       5.9190      1.93421
      7       7.2055      0.00015
      8       9.7516      0.00000
      9      11.6142      0.00000
     10      12.7700      0.00000
     11      13.6219      0.00000
     12      14.2428      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8172      2.00000
      2       0.4453      2.00000
      3       2.6368      2.00000
      4       3.7123      2.00000
      5       4.0850      2.00000
      6       5.5501      1.99830
      7       7.3372      0.00004
      8       9.3729      0.00000
      9      11.9773      0.00000
     10      12.8742      0.00000
     11      13.3007      0.00000
     12      14.9116      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0147      2.00000
      2       0.3193      2.00000
      3       2.8115      2.00000
      4       5.0224      1.99999
      5       5.9617      1.90090
      6       7.8110      0.00000
      7       8.1101      0.00000
      8       9.7714      0.00000
      9      10.5961      0.00000
     10      11.1179      0.00000
     11      12.1679      0.00000
     12      12.9242      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       0.3654      2.00000
      3       2.8549      2.00000
      4       4.9214      2.00000
      5       5.4907      1.99906
      6       7.5319      0.00001
      7       8.5285      0.00000
      8       9.9343      0.00000
      9      10.3459      0.00000
     10      11.2541      0.00000
     11      12.3474      0.00000
     12      12.8063      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8113      2.00000
      2       0.5023      2.00000
      3       2.9786      2.00000
      4       4.2000      2.00000
      5       5.2606      1.99991
      6       6.6676      0.03245
      7       8.9748      0.00000
      8       9.7807      0.00000
      9      10.8987      0.00000
     10      11.3873      0.00000
     11      12.0372      0.00000
     12      13.5784      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5594      2.00000
      2       0.7239      2.00000
      3       3.0428      2.00000
      4       3.3931      2.00000
      5       5.1071      1.99998
      6       6.0271      1.81763
      7       8.0363      0.00000
      8      10.4507      0.00000
      9      11.0984      0.00000
     10      11.5109      0.00000
     11      12.9359      0.00000
     12      13.9336      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2134      2.00000
      2       1.0090      2.00000
      3       2.2973      2.00000
      4       3.5074      2.00000
      5       4.5847      2.00000
      6       5.9177      1.93503
      7       7.2077      0.00015
      8       9.7520      0.00000
      9      11.6141      0.00000
     10      12.7764      0.00000
     11      13.6213      0.00000
     12      14.2363      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7892      2.00000
      2       1.1855      2.00000
      3       1.6794      2.00000
      4       3.5573      2.00000
      5       4.2322      2.00000
      6       5.9062      1.94185
      7       6.6354      0.04448
      8       9.1743      0.00000
      9      12.0184      0.00000
     10      13.6289      0.00000
     11      14.2005      0.00000
     12      14.3547      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3666      2.00000
      2       0.7653      2.00000
      3       1.7949      2.00000
      4       3.2306      2.00000
      5       4.4131      2.00000
      6       5.6393      1.99586
      7       6.5246      0.12891
      8       8.8329      0.00000
      9      12.3987      0.00000
     10      13.3741      0.00000
     11      14.3252      0.00000
     12      14.8116      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6477      2.00000
      2      -0.2344      2.00000
      3       3.1447      2.00000
      4       4.5126      2.00000
      5       6.3843      0.43771
      6       7.4855      0.00001
      7       8.0634      0.00000
      8       9.4678      0.00000
      9      10.9557      0.00000
     10      11.2475      0.00000
     11      12.3621      0.00000
     12      12.4876      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5953      2.00000
      2      -0.1897      2.00000
      3       3.1940      2.00000
      4       4.5134      2.00000
      5       5.7262      1.99015
      6       7.0024      0.00116
      7       8.8289      0.00000
      8       9.9978      0.00000
      9      10.3167      0.00000
     10      11.2889      0.00000
     11      11.8100      0.00000
     12      13.0935      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4385      2.00000
      2      -0.0570      2.00000
      3       3.3402      2.00000
      4       4.4078      2.00000
      5       4.7670      2.00000
      6       6.2253      1.15770
      7       9.2569      0.00000
      8      10.1416      0.00000
      9      10.8092      0.00000
     10      11.1159      0.00000
     11      11.5719      0.00000
     12      13.5027      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1783      2.00000
      2       0.1586      2.00000
      3       3.5576      2.00000
      4       3.5922      2.00000
      5       4.3921      2.00000
      6       5.6736      1.99417
      7       8.2596      0.00000
      8      10.0659      0.00000
      9      11.6025      0.00000
     10      11.6354      0.00000
     11      12.2883      0.00000
     12      14.0136      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8181      2.00000
      2       0.4443      2.00000
      3       2.6387      2.00000
      4       3.7135      2.00000
      5       4.0836      2.00000
      6       5.5491      1.99832
      7       7.3397      0.00004
      8       9.3735      0.00000
      9      11.9767      0.00000
     10      12.8751      0.00000
     11      13.3078      0.00000
     12      14.9263      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3671      2.00000
      2       0.7645      2.00000
      3       1.7960      2.00000
      4       3.2310      2.00000
      5       4.4127      2.00000
      6       5.6382      1.99591
      7       6.5263      0.12692
      8       8.8331      0.00000
      9      12.3984      0.00000
     10      13.3723      0.00000
     11      14.3279      0.00000
     12      14.8209      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1179      2.00000
      2       0.9752      2.00000
      3       1.1623      2.00000
      4       2.8317      2.00000
      5       4.8510      2.00000
      6       5.7049      1.99204
      7       5.9164      1.93581
      8       8.5253      0.00000
      9      12.8459      0.00000
     10      13.5708      0.00000
     11      13.7764      0.00000
     12      15.8091      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0759      2.00000
      2       1.1338      2.00000
      3       1.7978      2.00000
      4       4.9104      2.00000
      5       5.8815      1.95429
      6       7.8026      0.00000
      7       9.1223      0.00000
      8       9.3983      0.00000
      9      10.4771      0.00000
     10      11.3186      0.00000
     11      11.9537      0.00000
     12      12.7248      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       1.1861      2.00000
      3       1.8354      2.00000
      4       4.8110      2.00000
      5       5.4367      1.99945
      6       8.4076      0.00000
      7       8.4297      0.00000
      8       8.9597      0.00000
      9      11.1922      0.00000
     10      11.8076      0.00000
     11      12.0748      0.00000
     12      12.1165      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8743      2.00000
      2       1.3425      2.00000
      3       1.9419      2.00000
      4       4.1218      2.00000
      5       5.2376      1.99993
      6       7.3407      0.00004
      7       8.0515      0.00000
      8       9.7378      0.00000
      9      11.2787      0.00000
     10      11.8825      0.00000
     11      12.5403      0.00000
     12      12.7958      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6250      2.00000
      2       1.6025      2.00000
      3       2.0816      2.00000
      4       3.2296      2.00000
      5       5.3094      1.99985
      6       6.3086      0.74788
      7       7.2575      0.00009
      8      10.3495      0.00000
      9      11.2343      0.00000
     10      12.2081      0.00000
     11      13.0086      0.00000
     12      13.9552      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2831      2.00000
      2       1.9640      2.00000
      3       1.9665      2.00000
      4       2.6956      2.00000
      5       5.3552      1.99976
      6       5.3568      1.99975
      7       6.6484      0.03916
      8       9.6516      0.00000
      9      12.5611      0.00000
     10      12.5660      0.00000
     11      13.5056      0.00000
     12      14.7056      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8660      2.00000
      2       1.3222      2.00000
      3       2.4218      2.00000
      4       2.8152      2.00000
      5       4.5022      2.00000
      6       5.1997      1.99995
      7       6.4026      0.37837
      8       9.0743      0.00000
      9      12.9869      0.00000
     10      13.3053      0.00000
     11      14.6450      0.00000
     12      14.6794      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4580      2.00000
      2       0.7474      2.00000
      3       2.9403      2.00000
      4       2.9947      2.00000
      5       3.7844      2.00000
      6       4.9659      2.00000
      7       6.4145      0.34329
      8       8.7348      0.00000
      9      13.4629      0.00000
     10      13.5714      0.00000
     11      14.1440      0.00000
     12      15.4905      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6699      2.00000
      2       0.5790      2.00000
      3       1.9135      2.00000
      4       4.2050      2.00000
      5       6.2960      0.80775
      6       8.1277      0.00000
      7       8.4331      0.00000
      8       9.6669      0.00000
      9      10.1386      0.00000
     10      11.5163      0.00000
     11      11.9960      0.00000
     12      12.4940      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6188      2.00000
      2       0.6276      2.00000
      3       1.9581      2.00000
      4       4.2125      2.00000
      5       5.7050      1.99203
      6       7.8241      0.00000
      7       8.8263      0.00000
      8       9.0893      0.00000
      9      10.8245      0.00000
     10      11.4677      0.00000
     11      12.1875      0.00000
     12      12.6113      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4661      2.00000
      2       0.7723      2.00000
      3       2.0894      2.00000
      4       4.1381      2.00000
      5       4.8466      2.00000
      6       6.8550      0.00505
      7       8.1251      0.00000
      8      10.0448      0.00000
      9      10.6873      0.00000
     10      12.0047      0.00000
     11      12.8464      0.00000
     12      13.3178      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.0085      2.00000
      3       2.2952      2.00000
      4       3.5097      2.00000
      5       4.5834      2.00000
      6       5.9200      1.93354
      7       7.2084      0.00015
      8       9.7527      0.00000
      9      11.6215      0.00000
     10      12.7707      0.00000
     11      13.6254      0.00000
     12      14.2364      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8664      2.00000
      2       1.3204      2.00000
      3       2.4236      2.00000
      4       2.8154      2.00000
      5       4.5014      2.00000
      6       5.1999      1.99995
      7       6.4042      0.37342
      8       9.0748      0.00000
      9      12.9905      0.00000
     10      13.3093      0.00000
     11      14.6455      0.00000
     12      14.6709      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4391      2.00000
      2       1.5479      2.00000
      3       1.9397      2.00000
      4       2.9878      2.00000
      5       4.0281      2.00000
      6       4.9512      2.00000
      7       5.8206      1.97488
      8       8.5481      0.00000
      9      13.5357      0.00000
     10      14.5140      0.00000
     11      15.1225      0.00000
     12      15.2209      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0082      2.00000
      2       1.0941      2.00000
      3       2.1378      2.00000
      4       3.2174      2.00000
      5       3.5690      2.00000
      6       4.7729      2.00000
      7       5.5996      1.99721
      8       8.2517      0.00000
      9      13.9396      0.00000
     10      14.7588      0.00000
     11      15.1575      0.00000
     12      15.7450      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2865      2.00000
      2       0.0327      2.00000
      3       2.1900      2.00000
      4       3.7177      2.00000
      5       6.7184      0.01964
      6       7.8144      0.00000
      7       8.4161      0.00000
      8       9.7673      0.00000
      9      10.0306      0.00000
     10      11.4244      0.00000
     11      11.6766      0.00000
     12      12.7852      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2343      2.00000
      2       0.0793      2.00000
      3       2.2401      2.00000
      4       3.7353      2.00000
      5       6.0579      1.75976
      6       7.2839      0.00007
      7       9.1649      0.00000
      8       9.3764      0.00000
      9      10.3100      0.00000
     10      11.0916      0.00000
     11      12.4098      0.00000
     12      12.8538      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0778      2.00000
      2       0.2178      2.00000
      3       2.3899      2.00000
      4       3.7742      2.00000
      5       5.0162      1.99999
      6       6.3889      0.42234
      7       8.3436      0.00000
      8      10.0624      0.00000
      9      10.5475      0.00000
     10      11.6830      0.00000
     11      13.0062      0.00000
     12      13.6709      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4438      2.00000
      3       2.6360      2.00000
      4       3.7137      2.00000
      5       4.0851      2.00000
      6       5.5512      1.99828
      7       7.3403      0.00004
      8       9.3742      0.00000
      9      11.9853      0.00000
     10      12.8777      0.00000
     11      13.3006      0.00000
     12      14.9235      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4588      2.00000
      2       0.7461      2.00000
      3       2.9410      2.00000
      4       2.9961      2.00000
      5       3.7832      2.00000
      6       4.9661      2.00000
      7       6.4166      0.33740
      8       8.7355      0.00000
      9      13.4662      0.00000
     10      13.5768      0.00000
     11      14.1453      0.00000
     12      15.4923      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0086      2.00000
      2       1.0931      2.00000
      3       2.1392      2.00000
      4       3.2183      2.00000
      5       3.5676      2.00000
      6       4.7726      2.00000
      7       5.6008      1.99718
      8       8.2520      0.00000
      9      13.9396      0.00000
     10      14.7579      0.00000
     11      15.1657      0.00000
     12      15.7485      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4769      2.00000
      2       1.3380      2.00000
      3       1.5088      2.00000
      4       2.9334      2.00000
      5       3.9091      2.00000
      6       4.7481      2.00000
      7       4.9837      1.99999
      8       7.9860      0.00000
      9      14.3853      0.00000
     10      15.0528      0.00000
     11      15.2605      0.00000
     12      16.3979      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2488      2.00000
      2       0.7136      2.00000
      3       1.2945      2.00000
      4       3.5170      2.00000
      5       6.7105      0.02124
      6       8.5049      0.00000
      7       8.7295      0.00000
      8       8.9529      0.00000
      9      10.1917      0.00000
     10      11.0252      0.00000
     11      11.2100      0.00000
     12      13.5220      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1975      2.00000
      2       0.7660      2.00000
      3       1.3387      2.00000
      4       3.5380      2.00000
      5       6.0880      1.68860
      6       8.0174      0.00000
      7       8.4402      0.00000
      8       9.2204      0.00000
      9      10.6978      0.00000
     10      10.9827      0.00000
     11      11.7610      0.00000
     12      13.9517      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0439      2.00000
      2       0.9230      2.00000
      3       1.4694      2.00000
      4       3.5885      2.00000
      5       5.0908      1.99998
      6       6.9453      0.00205
      7       7.5431      0.00001
      8       9.8521      0.00000
      9      10.6327      0.00000
     10      12.2819      0.00000
     11      12.9106      0.00000
     12      14.0722      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7898      2.00000
      2       1.1837      2.00000
      3       1.6786      2.00000
      4       3.5574      2.00000
      5       4.2334      2.00000
      6       5.9082      1.94072
      7       6.6372      0.04369
      8       9.1755      0.00000
      9      12.0262      0.00000
     10      13.6352      0.00000
     11      14.2055      0.00000
     12      14.3512      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4394      2.00000
      2       1.5462      2.00000
      3       1.9394      2.00000
      4       2.9894      2.00000
      5       4.0271      2.00000
      6       4.9526      2.00000
      7       5.8215      1.97466
      8       8.5487      0.00000
      9      13.5440      0.00000
     10      14.5114      0.00000
     11      15.1271      0.00000
     12      15.2163      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0058      2.00000
      2       2.0050      2.00000
      3       2.0072      2.00000
      4       2.4580      2.00000
      5       4.0939      2.00000
      6       4.0952      2.00000
      7       5.1640      1.99996
      8       8.0776      0.00000
      9      14.9600      0.00000
     10      14.9650      0.00000
     11      15.8100      0.00000
     12      15.9441      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4413      2.00000
      2       1.4853      2.00000
      3       2.5234      2.00000
      4       2.5921      2.00000
      5       3.3767      2.00000
      6       4.1205      2.00000
      7       4.7845      2.00000
      8       7.8208      0.00000
      9      15.4046      0.00000
     10      15.6051      0.00000
     11      15.9898      0.00000
     12      16.8398      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8347      2.00000
      2       0.3244      2.00000
      3       1.3416      2.00000
      4       3.0667      2.00000
      5       7.1353      0.00031
      6       8.2068      0.00000
      7       8.8542      0.00000
      8       9.2172      0.00000
      9       9.9505      0.00000
     10      10.6221      0.00000
     11      10.9062      0.00000
     12      13.4421      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7825      2.00000
      2       0.3738      2.00000
      3       1.3923      2.00000
      4       3.0883      2.00000
      5       6.4783      0.19728
      6       7.6041      0.00000
      7       8.5617      0.00000
      8       9.5886      0.00000
      9      10.1475      0.00000
     10      10.7998      0.00000
     11      11.6545      0.00000
     12      13.8600      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6264      2.00000
      2       0.5212      2.00000
      3       1.5437      2.00000
      4       3.1488      2.00000
      5       5.4325      1.99948
      6       6.6123      0.05570
      7       7.5342      0.00001
      8       9.4994      0.00000
      9      10.9461      0.00000
     10      12.0019      0.00000
     11      12.9311      0.00000
     12      14.5556      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3676      2.00000
      2       0.7634      2.00000
      3       1.7938      2.00000
      4       3.2302      2.00000
      5       4.4154      2.00000
      6       5.6406      1.99580
      7       6.5273      0.12573
      8       8.8344      0.00000
      9      12.4069      0.00000
     10      13.3799      0.00000
     11      14.3341      0.00000
     12      14.8111      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0088      2.00000
      2       1.0925      2.00000
      3       2.1372      2.00000
      4       3.2188      2.00000
      5       3.5688      2.00000
      6       4.7739      2.00000
      7       5.6012      1.99717
      8       8.2525      0.00000
      9      13.9487      0.00000
     10      14.7638      0.00000
     11      15.1571      0.00000
     12      15.7547      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4410      2.00000
      2       1.4839      2.00000
      3       2.5244      2.00000
      4       2.5928      2.00000
      5       3.3755      2.00000
      6       4.1214      2.00000
      7       4.7851      2.00000
      8       7.8211      0.00000
      9      15.4084      0.00000
     10      15.6099      0.00000
     11      15.9911      0.00000
     12      16.8466      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9285      2.00000
      2       1.7970      2.00000
      3       1.9328      2.00000
      4       2.9388      2.00000
      5       3.1602      2.00000
      6       3.8898      2.00000
      7       4.1582      2.00000
      8       7.5890      0.00000
      9      15.9366      0.00000
     10      16.4656      0.00000
     11      16.7183      0.00000
     12      16.8067      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3497      2.00000
      2       0.5027      2.00000
      3       0.7044      2.00000
      4       2.6607      2.00000
      5       7.5729      0.00000
      6       8.5330      0.00000
      7       8.6142      0.00000
      8       9.3253      0.00000
      9      10.0152      0.00000
     10      10.0543      0.00000
     11      10.2943      0.00000
     12      13.3364      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2976      2.00000
      2       0.5551      2.00000
      3       0.7554      2.00000
      4       2.6816      2.00000
      5       6.9229      0.00256
      6       7.8205      0.00000
      7       7.9667      0.00000
      8       9.7202      0.00000
      9      10.0938      0.00000
     10      10.8120      0.00000
     11      11.0616      0.00000
     12      13.7197      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1416      2.00000
      2       0.7123      2.00000
      3       0.9081      2.00000
      4       2.7415      2.00000
      5       5.8786      1.95556
      6       6.7461      0.01493
      7       6.9322      0.00234
      8       9.1475      0.00000
      9      11.3920      0.00000
     10      12.1362      0.00000
     11      12.3547      0.00000
     12      14.6368      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1173      2.00000
      2       0.9733      2.00000
      3       1.1604      2.00000
      4       2.8315      2.00000
      5       4.8538      2.00000
      6       5.7069      1.99188
      7       5.9180      1.93481
      8       8.5269      0.00000
      9      12.8545      0.00000
     10      13.5787      0.00000
     11      13.7838      0.00000
     12      15.8122      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4766      2.00000
      2       1.3363      2.00000
      3       1.5073      2.00000
      4       2.9336      2.00000
      5       3.9112      2.00000
      6       4.7495      2.00000
      7       4.9845      1.99999
      8       7.9869      0.00000
      9      14.3948      0.00000
     10      15.0611      0.00000
     11      15.2686      0.00000
     12      16.3922      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9285      2.00000
      2       1.7956      2.00000
      3       1.9319      2.00000
      4       2.9403      2.00000
      5       3.1603      2.00000
      6       3.8909      2.00000
      7       4.1582      2.00000
      8       7.5893      0.00000
      9      15.9460      0.00000
     10      16.4727      0.00000
     11      16.7260      0.00000
     12      16.8014      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4251      2.00000
      2       2.3135      2.00000
      3       2.3149      2.00000
      4       2.3715      2.00000
      5       3.1706      2.00000
      6       3.1725      2.00000
      7       3.4990      2.00000
      8       7.3771      0.00003
      9      17.2574      0.00000
     10      17.2634      0.00000
     11      17.4557      0.00000
     12      17.9453      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264   0.000   0.000  -0.000
  5.264  22.371   0.000   0.000  -0.001
  0.000   0.000  -0.285  -0.000  -0.000
  0.000   0.000  -0.000  -0.285  -0.000
 -0.000  -0.001  -0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.076  -0.022   0.000   0.000   0.015
 -0.022   0.000   0.000   0.000  -0.000
  0.000   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.015  -0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1071: real time    0.1071
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.1979: real time    0.1979
    STRESS:  cpu time    2.3487: real time    2.3508
    FORCOR:  cpu time    0.0403: real time    0.0403
    FORHAR:  cpu time    0.0127: real time    0.0127
    MIXING:  cpu time    0.0054: real time    0.0054
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.36493   -72.34220   -72.34220     0.00000    -0.00000    -0.00000
  Hartree     1.12947     1.13398     1.13398    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42225   -27.42250   -27.42250    -0.00000     0.00000     0.00020
  Local      -3.97451    -4.00872    -4.00872     0.00000    -0.00000    -0.00000
  n-local    58.90980    58.00449    59.81969     0.09928     0.25631     0.41341
  augment    -3.03530    -3.03525    -3.03525     0.00000     0.00000     0.00001
  Kinetic    46.89513    48.34829    45.41446    -1.28708    -3.61378    -5.95164
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.02418     0.00555     0.00555     0.00000     0.00000     0.00000
  in kB       0.59357     0.13631     0.13631     0.00000     0.00000     0.00000
  external pressure =        0.29 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.459E+00 -.333E-15 0.123E-07   -.416E+00 -.226E-15 -.112E-15   -.187E+00 0.364E-19 0.712E-19   0.102E-04 0.285E-13 0.128E-07
   -.371E+00 -.267E-13 0.232E-13   0.282E+00 0.984E-15 -.295E-15   0.157E+00 0.968E-19 0.142E-18   0.702E-04 0.227E-12 -.186E-05
   -.371E+00 -.110E-15 -.918E-13   0.282E+00 -.144E-14 0.327E-15   0.157E+00 -.273E-19 -.140E-18   0.704E-04 -.268E-13 0.454E-05
   0.133E+00 -.325E-14 -.307E-14   -.148E+00 0.617E-15 -.947E-16   0.214E-01 0.282E-19 0.190E-18   -.354E-03 0.279E-13 0.170E-05
 -----------------------------------------------------------------------------------------------
   -.149E+00 -.304E-13 0.123E-07   -.167E-15 -.674E-16 -.175E-15   0.149E+00 0.134E-18 0.264E-18   -.203E-03 0.257E-12 0.439E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.05000      0.00000      0.00000        -0.143262     -0.000000     -0.000000
      2.01274      2.01342      0.00000         0.068346      0.000000     -0.000000
      2.01274      0.00000      2.01342         0.068346     -0.000000      0.000000
      0.00000      2.01342      2.01342         0.006571     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000137      0.000000      0.000004


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.55011015 eV

  energy  without entropy=      -13.51004432  energy(sigma->0) =      -13.53007724
 
 d Force =-0.3581549E-02[-0.716E-02, 0.878E-33]  d Energy = 0.1817344E-01-0.218E-01
 d Force =-0.1038758E-01[-0.208E-01,-0.244E-16]  d Ewald  = 0.3759583E-01-0.480E-01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0532: real time    0.0532


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   7/ 13
  Displacement:        1/  2
  Total:              13/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_4v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_4v.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    196 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      4.000000
  0.076923  0.076923  0.000000      8.000000
  0.153846  0.076923  0.000000      8.000000
  0.230769  0.076923  0.000000      8.000000
  0.307692  0.076923  0.000000      8.000000
  0.384615  0.076923  0.000000      8.000000
  0.461538  0.076923  0.000000      8.000000
  0.000000  0.153846  0.000000      4.000000
  0.076923  0.153846  0.000000      8.000000
  0.153846  0.153846  0.000000      8.000000
  0.230769  0.153846  0.000000      8.000000
  0.307692  0.153846  0.000000      8.000000
  0.384615  0.153846  0.000000      8.000000
  0.461538  0.153846  0.000000      8.000000
  0.000000  0.230769  0.000000      4.000000
  0.076923  0.230769  0.000000      8.000000
  0.153846  0.230769  0.000000      8.000000
  0.230769  0.230769  0.000000      8.000000
  0.307692  0.230769  0.000000      8.000000
  0.384615  0.230769  0.000000      8.000000
  0.461538  0.230769  0.000000      8.000000
  0.000000  0.307692  0.000000      4.000000
  0.076923  0.307692  0.000000      8.000000
  0.153846  0.307692  0.000000      8.000000
  0.230769  0.307692  0.000000      8.000000
  0.307692  0.307692  0.000000      8.000000
  0.384615  0.307692  0.000000      8.000000
  0.461538  0.307692  0.000000      8.000000
  0.000000  0.384615  0.000000      4.000000
  0.076923  0.384615  0.000000      8.000000
  0.153846  0.384615  0.000000      8.000000
  0.230769  0.384615  0.000000      8.000000
  0.307692  0.384615  0.000000      8.000000
  0.384615  0.384615  0.000000      8.000000
  0.461538  0.384615  0.000000      8.000000
  0.000000  0.461538  0.000000      4.000000
  0.076923  0.461538  0.000000      8.000000
  0.153846  0.461538  0.000000      8.000000
  0.230769  0.461538  0.000000      8.000000
  0.307692  0.461538  0.000000      8.000000
  0.384615  0.461538  0.000000      8.000000
  0.461538  0.461538  0.000000      8.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      8.000000
  0.076923  0.153846  0.076923     16.000000
  0.153846  0.153846  0.076923     16.000000
  0.230769  0.153846  0.076923     16.000000
  0.307692  0.153846  0.076923     16.000000
  0.384615  0.153846  0.076923     16.000000
  0.461538  0.153846  0.076923     16.000000
  0.000000  0.230769  0.076923      8.000000
  0.076923  0.230769  0.076923     16.000000
  0.153846  0.230769  0.076923     16.000000
  0.230769  0.230769  0.076923     16.000000
  0.307692  0.230769  0.076923     16.000000
  0.384615  0.230769  0.076923     16.000000
  0.461538  0.230769  0.076923     16.000000
  0.000000  0.307692  0.076923      8.000000
  0.076923  0.307692  0.076923     16.000000
  0.153846  0.307692  0.076923     16.000000
  0.230769  0.307692  0.076923     16.000000
  0.307692  0.307692  0.076923     16.000000
  0.384615  0.307692  0.076923     16.000000
  0.461538  0.307692  0.076923     16.000000
  0.000000  0.384615  0.076923      8.000000
  0.076923  0.384615  0.076923     16.000000
  0.153846  0.384615  0.076923     16.000000
  0.230769  0.384615  0.076923     16.000000
  0.307692  0.384615  0.076923     16.000000
  0.384615  0.384615  0.076923     16.000000
  0.461538  0.384615  0.076923     16.000000
  0.000000  0.461538  0.076923      8.000000
  0.076923  0.461538  0.076923     16.000000
  0.153846  0.461538  0.076923     16.000000
  0.230769  0.461538  0.076923     16.000000
  0.307692  0.461538  0.076923     16.000000
  0.384615  0.461538  0.076923     16.000000
  0.461538  0.461538  0.076923     16.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      8.000000
  0.076923  0.230769  0.153846     16.000000
  0.153846  0.230769  0.153846     16.000000
  0.230769  0.230769  0.153846     16.000000
  0.307692  0.230769  0.153846     16.000000
  0.384615  0.230769  0.153846     16.000000
  0.461538  0.230769  0.153846     16.000000
  0.000000  0.307692  0.153846      8.000000
  0.076923  0.307692  0.153846     16.000000
  0.153846  0.307692  0.153846     16.000000
  0.230769  0.307692  0.153846     16.000000
  0.307692  0.307692  0.153846     16.000000
  0.384615  0.307692  0.153846     16.000000
  0.461538  0.307692  0.153846     16.000000
  0.000000  0.384615  0.153846      8.000000
  0.076923  0.384615  0.153846     16.000000
  0.153846  0.384615  0.153846     16.000000
  0.230769  0.384615  0.153846     16.000000
  0.307692  0.384615  0.153846     16.000000
  0.384615  0.384615  0.153846     16.000000
  0.461538  0.384615  0.153846     16.000000
  0.000000  0.461538  0.153846      8.000000
  0.076923  0.461538  0.153846     16.000000
  0.153846  0.461538  0.153846     16.000000
  0.230769  0.461538  0.153846     16.000000
  0.307692  0.461538  0.153846     16.000000
  0.384615  0.461538  0.153846     16.000000
  0.461538  0.461538  0.153846     16.000000
  0.000000  0.230769  0.230769      4.000000
  0.076923  0.230769  0.230769      8.000000
  0.153846  0.230769  0.230769      8.000000
  0.230769  0.230769  0.230769      8.000000
  0.307692  0.230769  0.230769      8.000000
  0.384615  0.230769  0.230769      8.000000
  0.461538  0.230769  0.230769      8.000000
  0.000000  0.307692  0.230769      8.000000
  0.076923  0.307692  0.230769     16.000000
  0.153846  0.307692  0.230769     16.000000
  0.230769  0.307692  0.230769     16.000000
  0.307692  0.307692  0.230769     16.000000
  0.384615  0.307692  0.230769     16.000000
  0.461538  0.307692  0.230769     16.000000
  0.000000  0.384615  0.230769      8.000000
  0.076923  0.384615  0.230769     16.000000
  0.153846  0.384615  0.230769     16.000000
  0.230769  0.384615  0.230769     16.000000
  0.307692  0.384615  0.230769     16.000000
  0.384615  0.384615  0.230769     16.000000
  0.461538  0.384615  0.230769     16.000000
  0.000000  0.461538  0.230769      8.000000
  0.076923  0.461538  0.230769     16.000000
  0.153846  0.461538  0.230769     16.000000
  0.230769  0.461538  0.230769     16.000000
  0.307692  0.461538  0.230769     16.000000
  0.384615  0.461538  0.230769     16.000000
  0.461538  0.461538  0.230769     16.000000
  0.000000  0.307692  0.307692      4.000000
  0.076923  0.307692  0.307692      8.000000
  0.153846  0.307692  0.307692      8.000000
  0.230769  0.307692  0.307692      8.000000
  0.307692  0.307692  0.307692      8.000000
  0.384615  0.307692  0.307692      8.000000
  0.461538  0.307692  0.307692      8.000000
  0.000000  0.384615  0.307692      8.000000
  0.076923  0.384615  0.307692     16.000000
  0.153846  0.384615  0.307692     16.000000
  0.230769  0.384615  0.307692     16.000000
  0.307692  0.384615  0.307692     16.000000
  0.384615  0.384615  0.307692     16.000000
  0.461538  0.384615  0.307692     16.000000
  0.000000  0.461538  0.307692      8.000000
  0.076923  0.461538  0.307692     16.000000
  0.153846  0.461538  0.307692     16.000000
  0.230769  0.461538  0.307692     16.000000
  0.307692  0.461538  0.307692     16.000000
  0.384615  0.461538  0.307692     16.000000
  0.461538  0.461538  0.307692     16.000000
  0.000000  0.384615  0.384615      4.000000
  0.076923  0.384615  0.384615      8.000000
  0.153846  0.384615  0.384615      8.000000
  0.230769  0.384615  0.384615      8.000000
  0.307692  0.384615  0.384615      8.000000
  0.384615  0.384615  0.384615      8.000000
  0.461538  0.384615  0.384615      8.000000
  0.000000  0.461538  0.384615      8.000000
  0.076923  0.461538  0.384615     16.000000
  0.153846  0.461538  0.384615     16.000000
  0.230769  0.461538  0.384615     16.000000
  0.307692  0.461538  0.384615     16.000000
  0.384615  0.461538  0.384615     16.000000
  0.461538  0.461538  0.384615     16.000000
  0.000000  0.461538  0.461538      4.000000
  0.076923  0.461538  0.461538      8.000000
  0.153846  0.461538  0.461538      8.000000
  0.230769  0.461538  0.461538      8.000000
  0.307692  0.461538  0.461538      8.000000
  0.384615  0.461538  0.461538      8.000000
  0.461538  0.461538  0.461538      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.019109  0.000000  0.000000      2.000000
  0.038218  0.000000  0.000000      2.000000
  0.057327  0.000000  0.000000      2.000000
  0.076436  0.000000  0.000000      2.000000
  0.095545  0.000000  0.000000      2.000000
  0.114654  0.000000  0.000000      2.000000
  0.000000  0.019103  0.000000      4.000000
  0.019109  0.019103  0.000000      8.000000
  0.038218  0.019103  0.000000      8.000000
  0.057327  0.019103  0.000000      8.000000
  0.076436  0.019103  0.000000      8.000000
  0.095545  0.019103  0.000000      8.000000
  0.114654  0.019103  0.000000      8.000000
  0.000000  0.038205  0.000000      4.000000
  0.019109  0.038205  0.000000      8.000000
  0.038218  0.038205  0.000000      8.000000
  0.057327  0.038205  0.000000      8.000000
  0.076436  0.038205  0.000000      8.000000
  0.095545  0.038205  0.000000      8.000000
  0.114654  0.038205  0.000000      8.000000
  0.000000  0.057308  0.000000      4.000000
  0.019109  0.057308  0.000000      8.000000
  0.038218  0.057308  0.000000      8.000000
  0.057327  0.057308  0.000000      8.000000
  0.076436  0.057308  0.000000      8.000000
  0.095545  0.057308  0.000000      8.000000
  0.114654  0.057308  0.000000      8.000000
  0.000000  0.076411  0.000000      4.000000
  0.019109  0.076411  0.000000      8.000000
  0.038218  0.076411  0.000000      8.000000
  0.057327  0.076411  0.000000      8.000000
  0.076436  0.076411  0.000000      8.000000
  0.095545  0.076411  0.000000      8.000000
  0.114654  0.076411  0.000000      8.000000
  0.000000  0.095513  0.000000      4.000000
  0.019109  0.095513  0.000000      8.000000
  0.038218  0.095513  0.000000      8.000000
  0.057327  0.095513  0.000000      8.000000
  0.076436  0.095513  0.000000      8.000000
  0.095545  0.095513  0.000000      8.000000
  0.114654  0.095513  0.000000      8.000000
  0.000000  0.114616  0.000000      4.000000
  0.019109  0.114616  0.000000      8.000000
  0.038218  0.114616  0.000000      8.000000
  0.057327  0.114616  0.000000      8.000000
  0.076436  0.114616  0.000000      8.000000
  0.095545  0.114616  0.000000      8.000000
  0.114654  0.114616  0.000000      8.000000
  0.000000  0.019103  0.019103      4.000000
  0.019109  0.019103  0.019103      8.000000
  0.038218  0.019103  0.019103      8.000000
  0.057327  0.019103  0.019103      8.000000
  0.076436  0.019103  0.019103      8.000000
  0.095545  0.019103  0.019103      8.000000
  0.114654  0.019103  0.019103      8.000000
  0.000000  0.038205  0.019103      8.000000
  0.019109  0.038205  0.019103     16.000000
  0.038218  0.038205  0.019103     16.000000
  0.057327  0.038205  0.019103     16.000000
  0.076436  0.038205  0.019103     16.000000
  0.095545  0.038205  0.019103     16.000000
  0.114654  0.038205  0.019103     16.000000
  0.000000  0.057308  0.019103      8.000000
  0.019109  0.057308  0.019103     16.000000
  0.038218  0.057308  0.019103     16.000000
  0.057327  0.057308  0.019103     16.000000
  0.076436  0.057308  0.019103     16.000000
  0.095545  0.057308  0.019103     16.000000
  0.114654  0.057308  0.019103     16.000000
  0.000000  0.076411  0.019103      8.000000
  0.019109  0.076411  0.019103     16.000000
  0.038218  0.076411  0.019103     16.000000
  0.057327  0.076411  0.019103     16.000000
  0.076436  0.076411  0.019103     16.000000
  0.095545  0.076411  0.019103     16.000000
  0.114654  0.076411  0.019103     16.000000
  0.000000  0.095513  0.019103      8.000000
  0.019109  0.095513  0.019103     16.000000
  0.038218  0.095513  0.019103     16.000000
  0.057327  0.095513  0.019103     16.000000
  0.076436  0.095513  0.019103     16.000000
  0.095545  0.095513  0.019103     16.000000
  0.114654  0.095513  0.019103     16.000000
  0.000000  0.114616  0.019103      8.000000
  0.019109  0.114616  0.019103     16.000000
  0.038218  0.114616  0.019103     16.000000
  0.057327  0.114616  0.019103     16.000000
  0.076436  0.114616  0.019103     16.000000
  0.095545  0.114616  0.019103     16.000000
  0.114654  0.114616  0.019103     16.000000
  0.000000  0.038205  0.038205      4.000000
  0.019109  0.038205  0.038205      8.000000
  0.038218  0.038205  0.038205      8.000000
  0.057327  0.038205  0.038205      8.000000
  0.076436  0.038205  0.038205      8.000000
  0.095545  0.038205  0.038205      8.000000
  0.114654  0.038205  0.038205      8.000000
  0.000000  0.057308  0.038205      8.000000
  0.019109  0.057308  0.038205     16.000000
  0.038218  0.057308  0.038205     16.000000
  0.057327  0.057308  0.038205     16.000000
  0.076436  0.057308  0.038205     16.000000
  0.095545  0.057308  0.038205     16.000000
  0.114654  0.057308  0.038205     16.000000
  0.000000  0.076411  0.038205      8.000000
  0.019109  0.076411  0.038205     16.000000
  0.038218  0.076411  0.038205     16.000000
  0.057327  0.076411  0.038205     16.000000
  0.076436  0.076411  0.038205     16.000000
  0.095545  0.076411  0.038205     16.000000
  0.114654  0.076411  0.038205     16.000000
  0.000000  0.095513  0.038205      8.000000
  0.019109  0.095513  0.038205     16.000000
  0.038218  0.095513  0.038205     16.000000
  0.057327  0.095513  0.038205     16.000000
  0.076436  0.095513  0.038205     16.000000
  0.095545  0.095513  0.038205     16.000000
  0.114654  0.095513  0.038205     16.000000
  0.000000  0.114616  0.038205      8.000000
  0.019109  0.114616  0.038205     16.000000
  0.038218  0.114616  0.038205     16.000000
  0.057327  0.114616  0.038205     16.000000
  0.076436  0.114616  0.038205     16.000000
  0.095545  0.114616  0.038205     16.000000
  0.114654  0.114616  0.038205     16.000000
  0.000000  0.057308  0.057308      4.000000
  0.019109  0.057308  0.057308      8.000000
  0.038218  0.057308  0.057308      8.000000
  0.057327  0.057308  0.057308      8.000000
  0.076436  0.057308  0.057308      8.000000
  0.095545  0.057308  0.057308      8.000000
  0.114654  0.057308  0.057308      8.000000
  0.000000  0.076411  0.057308      8.000000
  0.019109  0.076411  0.057308     16.000000
  0.038218  0.076411  0.057308     16.000000
  0.057327  0.076411  0.057308     16.000000
  0.076436  0.076411  0.057308     16.000000
  0.095545  0.076411  0.057308     16.000000
  0.114654  0.076411  0.057308     16.000000
  0.000000  0.095513  0.057308      8.000000
  0.019109  0.095513  0.057308     16.000000
  0.038218  0.095513  0.057308     16.000000
  0.057327  0.095513  0.057308     16.000000
  0.076436  0.095513  0.057308     16.000000
  0.095545  0.095513  0.057308     16.000000
  0.114654  0.095513  0.057308     16.000000
  0.000000  0.114616  0.057308      8.000000
  0.019109  0.114616  0.057308     16.000000
  0.038218  0.114616  0.057308     16.000000
  0.057327  0.114616  0.057308     16.000000
  0.076436  0.114616  0.057308     16.000000
  0.095545  0.114616  0.057308     16.000000
  0.114654  0.114616  0.057308     16.000000
  0.000000  0.076411  0.076411      4.000000
  0.019109  0.076411  0.076411      8.000000
  0.038218  0.076411  0.076411      8.000000
  0.057327  0.076411  0.076411      8.000000
  0.076436  0.076411  0.076411      8.000000
  0.095545  0.076411  0.076411      8.000000
  0.114654  0.076411  0.076411      8.000000
  0.000000  0.095513  0.076411      8.000000
  0.019109  0.095513  0.076411     16.000000
  0.038218  0.095513  0.076411     16.000000
  0.057327  0.095513  0.076411     16.000000
  0.076436  0.095513  0.076411     16.000000
  0.095545  0.095513  0.076411     16.000000
  0.114654  0.095513  0.076411     16.000000
  0.000000  0.114616  0.076411      8.000000
  0.019109  0.114616  0.076411     16.000000
  0.038218  0.114616  0.076411     16.000000
  0.057327  0.114616  0.076411     16.000000
  0.076436  0.114616  0.076411     16.000000
  0.095545  0.114616  0.076411     16.000000
  0.114654  0.114616  0.076411     16.000000
  0.000000  0.095513  0.095513      4.000000
  0.019109  0.095513  0.095513      8.000000
  0.038218  0.095513  0.095513      8.000000
  0.057327  0.095513  0.095513      8.000000
  0.076436  0.095513  0.095513      8.000000
  0.095545  0.095513  0.095513      8.000000
  0.114654  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      8.000000
  0.019109  0.114616  0.095513     16.000000
  0.038218  0.114616  0.095513     16.000000
  0.057327  0.114616  0.095513     16.000000
  0.076436  0.114616  0.095513     16.000000
  0.095545  0.114616  0.095513     16.000000
  0.114654  0.114616  0.095513     16.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.114616      8.000000
  0.038218  0.114616  0.114616      8.000000
  0.057327  0.114616  0.114616      8.000000
  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.2495: real time    0.2531
    FEWALD:  cpu time    0.0026: real time    0.0026
    GENKIN:  cpu time    0.0397: real time    0.0397
    ORTHCH:  cpu time    1.1801: real time    1.1801
     LOOP+:  cpu time   74.9705: real time   75.0111


--------------------------------------- Iteration     15(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0479: real time    0.0487
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   12.2975: real time   12.3023
       DOS:  cpu time    0.0096: real time    0.0096
    CHARGE:  cpu time    0.1084: real time    0.1084
    MIXING:  cpu time    0.0043: real time    0.0043
    --------------------------------------------
      LOOP:  cpu time   12.4716: real time   12.4771

 eigenvalue-minimisations  :  4856
 total energy-change (2. order) :-0.2783660E-02  (-0.3986730E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060400 magnetization 

 Broyden mixing:
  rms(total) = 0.17943E-01    rms(broyden)= 0.17943E-01
  rms(prec ) = 0.74340E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39649352
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80187319
  PAW double counting   =       428.65164282     -327.30446829
  entropy T*S    EENTRO =        -0.04006373
  eigenvalues    EBANDS =        22.58536424
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55288785 eV

  energy without entropy =      -13.51282412  energy(sigma->0) =      -13.53285598


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0486: real time    0.0490
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   14.1435: real time   14.1501
       DOS:  cpu time    0.0129: real time    0.0129
    CHARGE:  cpu time    0.1084: real time    0.1084
    MIXING:  cpu time    0.0048: real time    0.0048
    --------------------------------------------
      LOOP:  cpu time   14.3218: real time   14.3288

 eigenvalue-minimisations  :  5844
 total energy-change (2. order) : 0.2232060E-02  (-0.1133366E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060066 magnetization 

 Broyden mixing:
  rms(total) = 0.81268E-02    rms(broyden)= 0.81268E-02
  rms(prec ) = 0.30837E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5646
  1.5646

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39598744
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80198797
  PAW double counting   =       428.54116693     -327.19397835
  entropy T*S    EENTRO =        -0.04006397
  eigenvalues    EBANDS =        22.58719120
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55065579 eV

  energy without entropy =      -13.51059182  energy(sigma->0) =      -13.53062380


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0492: real time    0.0500
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   13.8325: real time   13.8392
       DOS:  cpu time    0.0101: real time    0.0101
    CHARGE:  cpu time    0.1068: real time    0.1068
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time   14.0056: real time   14.0131

 eigenvalue-minimisations  :  5692
 total energy-change (2. order) : 0.5342661E-03  (-0.2386299E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060113 magnetization 

 Broyden mixing:
  rms(total) = 0.20324E-02    rms(broyden)= 0.20324E-02
  rms(prec ) = 0.57410E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5232
  1.2527  1.7938

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39703137
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80198036
  PAW double counting   =       428.49051176     -327.14333569
  entropy T*S    EENTRO =        -0.04006401
  eigenvalues    EBANDS =        22.58877434
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55012152 eV

  energy without entropy =      -13.51005751  energy(sigma->0) =      -13.53008952


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0509: real time    0.0512
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   14.0921: real time   14.0948
       DOS:  cpu time    0.0129: real time    0.0129
    CHARGE:  cpu time    0.1069: real time    0.1069
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time   14.2700: real time   14.2731

 eigenvalue-minimisations  :  5788
 total energy-change (2. order) : 0.5372151E-05  (-0.1377397E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060075 magnetization 

 Broyden mixing:
  rms(total) = 0.72009E-03    rms(broyden)= 0.72009E-03
  rms(prec ) = 0.18879E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6292
  1.1440  1.5000  2.2436

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39730919
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80199773
  PAW double counting   =       428.49338607     -327.14621575
  entropy T*S    EENTRO =        -0.04006363
  eigenvalues    EBANDS =        22.58908027
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55011615 eV

  energy without entropy =      -13.51005252  energy(sigma->0) =      -13.53008434


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0509: real time    0.0513
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   13.5721: real time   13.5784
       DOS:  cpu time    0.0126: real time    0.0126
    --------------------------------------------
      LOOP:  cpu time   13.6395: real time   13.6462

 eigenvalue-minimisations  :  5876
 total energy-change (2. order) : 0.1230509E-05  (-0.4661489E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060075 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04923360
  -Hartree energ DENC   =        -3.39745853
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80199981
  PAW double counting   =       428.55277445     -327.20560619
  entropy T*S    EENTRO =        -0.04006351
  eigenvalues    EBANDS =        22.58923486
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55011492 eV

  energy without entropy =      -13.51005141  energy(sigma->0) =      -13.53008316


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2468       2 -74.2398       3 -74.2398       4 -74.2398
 
 
 
 E-fermi :   6.2570     XC(G=0):  -9.5665     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6244      2.00000
      2       4.3277      2.00000
      3       4.3277      2.00000
      4       4.3346      2.00000
      5       5.5483      1.99833
      6       5.5515      1.99828
      7       7.6014      0.00000
      8      12.5097      0.00000
      9      12.5097      0.00000
     10      12.5125      0.00000
     11      12.8069      0.00000
     12      12.8081      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6456      2.00000
      3       4.3767      2.00000
      4       4.3767      2.00000
      5       5.6012      1.99717
      6       6.1567      1.46351
      7       7.8019      0.00000
      8      11.5758      0.00000
      9      11.5758      0.00000
     10      12.1698      0.00000
     11      12.8571      0.00000
     12      12.9842      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4279      2.00000
      2       2.6162      2.00000
      3       4.5235      2.00000
      4       4.5235      2.00000
      5       5.7596      1.98626
      6       6.7601      0.01298
      7       8.5742      0.00000
      8      10.4585      0.00000
      9      10.4585      0.00000
     10      11.4062      0.00000
     11      12.8179      0.00000
     12      13.0006      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1861      2.00000
      2       1.6223      2.00000
      3       4.7667      2.00000
      4       4.7667      2.00000
      5       6.0226      1.82497
      6       7.0442      0.00076
      7       9.4220      0.00000
      8       9.4220      0.00000
      9       9.8448      0.00000
     10      10.5259      0.00000
     11      12.3339      0.00000
     12      13.2338      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8579      2.00000
      2       0.7177      2.00000
      3       5.1028      1.99998
      4       5.1028      1.99998
      5       6.3883      0.42399
      6       7.2190      0.00013
      7       8.4871      0.00000
      8       8.4871      0.00000
      9       9.6530      0.00000
     10      11.2334      0.00000
     11      12.0177      0.00000
     12      13.5425      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4681      2.00000
      2      -0.0600      2.00000
      3       5.5191      1.99875
      4       5.5191      1.99875
      5       6.8536      0.00512
      6       7.3449      0.00004
      7       7.6704      0.00000
      8       7.6704      0.00000
      9       8.8354      0.00000
     10      11.4261      0.00000
     11      13.1404      0.00000
     12      13.8888      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1168      2.00000
      2      -0.6062      2.00000
      3       5.9437      1.91648
      4       5.9437      1.91648
      5       7.0453      0.00075
      6       7.0453      0.00075
      7       7.4072      0.00002
      8       7.4156      0.00002
      9       8.1023      0.00000
     10      11.2732      0.00000
     11      14.1637      0.00000
     12      14.5170      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6402      2.00000
      3       4.3767      2.00000
      4       4.3837      2.00000
      5       5.6036      1.99710
      6       6.1541      1.47346
      7       7.8004      0.00000
      8      11.5710      0.00000
      9      11.5761      0.00000
     10      12.1682      0.00000
     11      12.8545      0.00000
     12      12.9946      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5257      2.00000
      2       3.5651      2.00000
      3       3.8396      2.00000
      4       4.4257      2.00000
      5       5.9326      1.92497
      6       6.5058      0.15350
      7       7.9538      0.00000
      8      10.8392      0.00000
      9      11.4717      0.00000
     10      11.8597      0.00000
     11      12.3579      0.00000
     12      12.8478      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3785      2.00000
      2       2.6487      2.00000
      3       3.8801      2.00000
      4       4.5725      2.00000
      5       6.1438      1.51260
      6       7.1328      0.00031
      7       8.6230      0.00000
      8       9.8304      0.00000
      9      10.4991      0.00000
     10      11.7941      0.00000
     11      11.8385      0.00000
     12      12.8756      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1364      2.00000
      2       1.6635      2.00000
      3       4.1146      2.00000
      4       4.8157      2.00000
      5       6.3881      0.42484
      6       7.4355      0.00002
      7       8.8245      0.00000
      8       9.4690      0.00000
      9       9.9056      0.00000
     10      10.9719      0.00000
     11      12.0629      0.00000
     12      12.5088      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8078      2.00000
      2       0.7613      2.00000
      3       4.4438      2.00000
      4       5.1517      1.99997
      5       6.6774      0.02945
      6       7.5840      0.00000
      7       8.0355      0.00000
      8       8.5353      0.00000
      9      10.1181      0.00000
     10      11.3458      0.00000
     11      12.1199      0.00000
     12      12.3804      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4172      2.00000
      2      -0.0161      2.00000
      3       4.8482      2.00000
      4       5.5679      1.99797
      5       6.7515      0.01414
      6       7.4462      0.00001
      7       7.7192      0.00000
      8       7.8868      0.00000
      9       9.3430      0.00000
     10      11.6173      0.00000
     11      12.7606      0.00000
     12      13.0931      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0643      2.00000
      2      -0.5635      2.00000
      3       5.2488      1.99992
      4       5.9923      1.86775
      5       6.3372      0.61939
      6       7.0944      0.00046
      7       7.6134      0.00000
      8       8.1150      0.00000
      9       8.6735      0.00000
     10      11.4448      0.00000
     11      13.1050      0.00000
     12      14.1336      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4281      2.00000
      2       2.6118      2.00000
      3       4.5234      2.00000
      4       4.5303      2.00000
      5       5.7619      1.98595
      6       6.7600      0.01300
      7       8.5690      0.00000
      8      10.4538      0.00000
      9      10.4603      0.00000
     10      11.4050      0.00000
     11      12.8116      0.00000
     12      12.9983      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6445      2.00000
      3       3.8854      2.00000
      4       4.5724      2.00000
      5       6.1450      1.50812
      6       7.1347      0.00031
      7       8.6184      0.00000
      8       9.8313      0.00000
      9      10.4946      0.00000
     10      11.7915      0.00000
     11      11.8434      0.00000
     12      12.8805      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2310      2.00000
      2       2.5826      2.00000
      3       3.0717      2.00000
      4       4.7191      2.00000
      5       6.4079      0.36241
      6       8.0480      0.00000
      7       8.6537      0.00000
      8       9.1598      0.00000
      9      10.4927      0.00000
     10      10.8467      0.00000
     11      11.8444      0.00000
     12      12.6320      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9882      2.00000
      2       1.7733      2.00000
      3       3.1259      2.00000
      4       4.9622      2.00000
      5       6.5667      0.08653
      6       7.9163      0.00000
      7       8.5945      0.00000
      8       9.6057      0.00000
      9      10.0331      0.00000
     10      10.9281      0.00000
     11      11.3331      0.00000
     12      12.6348      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6582      2.00000
      2       0.8883      2.00000
      3       3.4290      2.00000
      4       5.2980      1.99986
      5       6.4576      0.23730
      6       7.4663      0.00001
      7       8.6790      0.00000
      8       8.8183      0.00000
      9      10.6507      0.00000
     10      11.2413      0.00000
     11      11.5000      0.00000
     12      12.5259      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2650      2.00000
      2       0.1136      2.00000
      3       3.8135      2.00000
      4       5.7139      1.99129
      5       5.9144      1.93705
      6       7.5780      0.00000
      7       7.8647      0.00000
      8       8.9541      0.00000
      9      10.1174      0.00000
     10      11.6259      0.00000
     11      12.2072      0.00000
     12      12.8458      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9070      2.00000
      2      -0.4371      2.00000
      3       4.1824      2.00000
      4       5.4038      1.99961
      5       6.1377      1.53490
      6       7.2411      0.00011
      7       7.7963      0.00000
      8       8.9590      0.00000
      9       9.8252      0.00000
     10      11.9801      0.00000
     11      11.9859      0.00000
     12      13.3914      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6187      2.00000
      3       4.7666      2.00000
      4       4.7733      2.00000
      5       6.0246      1.82171
      6       7.0452      0.00075
      7       9.4178      0.00000
      8       9.4237      0.00000
      9       9.8389      0.00000
     10      10.5252      0.00000
     11      12.3295      0.00000
     12      13.2316      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6600      2.00000
      3       4.1197      2.00000
      4       4.8156      2.00000
      5       6.3890      0.42174
      6       7.4389      0.00001
      7       8.8259      0.00000
      8       9.4648      0.00000
      9       9.8988      0.00000
     10      10.9708      0.00000
     11      12.0679      0.00000
     12      12.5073      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9884      2.00000
      2       1.7701      2.00000
      3       3.1298      2.00000
      4       4.9621      2.00000
      5       6.5666      0.08658
      6       7.9174      0.00000
      7       8.5992      0.00000
      8       9.6016      0.00000
      9      10.0266      0.00000
     10      10.9326      0.00000
     11      11.3310      0.00000
     12      12.6397      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7443      2.00000
      2       1.7615      2.00000
      3       2.3762      2.00000
      4       5.2050      1.99995
      5       6.3585      0.53224
      6       7.4618      0.00001
      7       9.7071      0.00000
      8       9.7374      0.00000
      9      10.0229      0.00000
     10      10.3554      0.00000
     11      11.2946      0.00000
     12      12.4464      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4118      2.00000
      2       1.0770      2.00000
      3       2.4675      2.00000
      4       5.5406      1.99845
      5       5.7126      1.99140
      6       7.5412      0.00001
      7       8.9122      0.00000
      8      10.0091      0.00000
      9      10.2072      0.00000
     10      11.0937      0.00000
     11      11.4348      0.00000
     12      12.6282      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0137      2.00000
      2       0.3215      2.00000
      3       2.8121      2.00000
      4       5.0245      1.99999
      5       5.9559      1.90615
      6       7.8087      0.00000
      7       8.1042      0.00000
      8       9.7701      0.00000
      9      10.5903      0.00000
     10      11.1176      0.00000
     11      12.1633      0.00000
     12      12.9248      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6462      2.00000
      2      -0.2329      2.00000
      3       3.1457      2.00000
      4       4.5144      2.00000
      5       6.3789      0.45639
      6       7.4826      0.00001
      7       8.0567      0.00000
      8       9.4670      0.00000
      9      10.9506      0.00000
     10      11.2481      0.00000
     11      12.3633      0.00000
     12      12.4767      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8586      2.00000
      2       0.7150      2.00000
      3       5.1027      1.99998
      4       5.1090      1.99998
      5       6.3900      0.41844
      6       7.2201      0.00013
      7       8.4832      0.00000
      8       8.4911      0.00000
      9       9.6529      0.00000
     10      11.2270      0.00000
     11      12.0123      0.00000
     12      13.5415      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8085      2.00000
      2       0.7586      2.00000
      3       4.4487      2.00000
      4       5.1516      1.99997
      5       6.6775      0.02943
      6       7.5879      0.00000
      7       8.0384      0.00000
      8       8.5314      0.00000
      9      10.1181      0.00000
     10      11.3390      0.00000
     11      12.1171      0.00000
     12      12.3854      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6588      2.00000
      2       0.8857      2.00000
      3       3.4329      2.00000
      4       5.2980      1.99986
      5       6.4579      0.23668
      6       7.4670      0.00001
      7       8.6752      0.00000
      8       8.8239      0.00000
      9      10.6495      0.00000
     10      11.2459      0.00000
     11      11.4929      0.00000
     12      12.5297      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0748      2.00000
      3       2.4702      2.00000
      4       5.5405      1.99845
      5       5.7131      1.99136
      6       7.5411      0.00001
      7       8.9085      0.00000
      8      10.0129      0.00000
      9      10.2112      0.00000
     10      11.0952      0.00000
     11      11.4307      0.00000
     12      12.6282      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0753      2.00000
      2       1.1360      2.00000
      3       1.7990      2.00000
      4       4.9130      2.00000
      5       5.8757      1.95683
      6       7.7985      0.00000
      7       9.1173      0.00000
      8       9.3950      0.00000
      9      10.4705      0.00000
     10      11.3186      0.00000
     11      11.9576      0.00000
     12      12.7788      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6689      2.00000
      2       0.5814      2.00000
      3       1.9143      2.00000
      4       4.2070      2.00000
      5       6.2905      0.83420
      6       8.1241      0.00000
      7       8.4283      0.00000
      8       9.6631      0.00000
      9      10.1324      0.00000
     10      11.5150      0.00000
     11      11.9910      0.00000
     12      12.4928      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2851      2.00000
      2       0.0345      2.00000
      3       2.1912      2.00000
      4       3.7191      2.00000
      5       6.7132      0.02068
      6       7.8115      0.00000
      7       8.4094      0.00000
      8       9.7670      0.00000
      9      10.0238      0.00000
     10      11.4228      0.00000
     11      11.6674      0.00000
     12      12.7837      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4693      2.00000
      2      -0.0620      2.00000
      3       5.5191      1.99875
      4       5.5248      1.99868
      5       6.8545      0.00507
      6       7.3447      0.00004
      7       7.6666      0.00000
      8       7.6772      0.00000
      9       8.8358      0.00000
     10      11.4240      0.00000
     11      13.1300      0.00000
     12      13.8897      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0181      2.00000
      3       4.8529      2.00000
      4       5.5679      1.99797
      5       6.7518      0.01410
      6       7.4482      0.00001
      7       7.7154      0.00000
      8       7.8915      0.00000
      9       9.3445      0.00000
     10      11.6161      0.00000
     11      12.7656      0.00000
     12      13.0852      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2660      2.00000
      2       0.1117      2.00000
      3       3.8171      2.00000
      4       5.7139      1.99128
      5       5.9157      1.93623
      6       7.5775      0.00000
      7       7.8610      0.00000
      8       8.9585      0.00000
      9      10.1198      0.00000
     10      11.6305      0.00000
     11      12.2081      0.00000
     12      12.8453      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3198      2.00000
      3       2.8148      2.00000
      4       5.0256      1.99999
      5       5.9561      1.90604
      6       7.8080      0.00000
      7       8.1005      0.00000
      8       9.7709      0.00000
      9      10.5944      0.00000
     10      11.1237      0.00000
     11      12.1658      0.00000
     12      12.9254      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6694      2.00000
      2       0.5800      2.00000
      3       1.9160      2.00000
      4       4.2075      2.00000
      5       6.2907      0.83346
      6       8.1237      0.00000
      7       8.4248      0.00000
      8       9.6669      0.00000
      9      10.1318      0.00000
     10      11.5170      0.00000
     11      11.9912      0.00000
     12      12.5008      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2479      2.00000
      2       0.7157      2.00000
      3       1.2958      2.00000
      4       3.5186      2.00000
      5       6.7055      0.02232
      6       8.5000      0.00000
      7       8.7240      0.00000
      8       8.9494      0.00000
      9      10.1843      0.00000
     10      11.0387      0.00000
     11      11.1905      0.00000
     12      13.5204      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8334      2.00000
      2       0.3264      2.00000
      3       1.3432      2.00000
      4       3.0676      2.00000
      5       7.1304      0.00032
      6       8.2041      0.00000
      7       8.8474      0.00000
      8       9.2118      0.00000
      9       9.9474      0.00000
     10      10.6205      0.00000
     11      10.8972      0.00000
     12      13.4400      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1185      2.00000
      2      -0.6075      2.00000
      3       5.9446      1.91578
      4       5.9489      1.91222
      5       7.0407      0.00079
      6       7.0464      0.00075
      7       7.4096      0.00002
      8       7.4201      0.00002
      9       8.1031      0.00000
     10      11.2714      0.00000
     11      14.1663      0.00000
     12      14.5264      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5648      2.00000
      3       5.2532      1.99991
      4       5.9932      1.86664
      5       6.3393      0.61034
      6       7.0899      0.00048
      7       7.6123      0.00000
      8       8.1200      0.00000
      9       8.6765      0.00000
     10      11.4436      0.00000
     11      13.1103      0.00000
     12      14.1391      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9085      2.00000
      2      -0.4383      2.00000
      3       4.1858      2.00000
      4       5.4057      1.99960
      5       6.1386      1.53156
      6       7.2366      0.00011
      7       7.7948      0.00000
      8       8.9612      0.00000
      9       9.8314      0.00000
     10      11.9851      0.00000
     11      11.9867      0.00000
     12      13.4153      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6475      2.00000
      2      -0.2339      2.00000
      3       3.1482      2.00000
      4       4.5158      2.00000
      5       6.3799      0.45293
      6       7.4782      0.00001
      7       8.0554      0.00000
      8       9.4673      0.00000
      9      10.9551      0.00000
     10      11.2564      0.00000
     11      12.3637      0.00000
     12      12.4831      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2861      2.00000
      2       0.0337      2.00000
      3       2.1929      2.00000
      4       3.7200      2.00000
      5       6.7142      0.02047
      6       7.8072      0.00000
      7       8.4084      0.00000
      8       9.7666      0.00000
      9      10.0280      0.00000
     10      11.4227      0.00000
     11      11.6699      0.00000
     12      12.7944      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8340      2.00000
      2       0.3259      2.00000
      3       1.3441      2.00000
      4       3.0680      2.00000
      5       7.1313      0.00032
      6       8.1997      0.00000
      7       8.8468      0.00000
      8       9.2159      0.00000
      9       9.9470      0.00000
     10      10.6202      0.00000
     11      10.8985      0.00000
     12      13.4408      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3488      2.00000
      2       0.5047      2.00000
      3       0.7067      2.00000
      4       2.6613      2.00000
      5       7.5689      0.00000
      6       8.5273      0.00000
      7       8.6112      0.00000
      8       9.3180      0.00000
      9      10.0077      0.00000
     10      10.0567      0.00000
     11      10.2858      0.00000
     12      13.3352      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5258      2.00000
      2       3.5622      2.00000
      3       3.8371      2.00000
      4       4.4327      2.00000
      5       5.9348      1.92332
      6       6.5029      0.15757
      7       7.9526      0.00000
      8      10.8342      0.00000
      9      11.4745      0.00000
     10      11.8631      0.00000
     11      12.3606      0.00000
     12      12.8502      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4764      2.00000
      2       3.6129      2.00000
      3       3.6168      2.00000
      4       4.0640      2.00000
      5       6.5533      0.09829
      6       6.5570      0.09488
      7       8.0779      0.00000
      8      10.7453      0.00000
      9      10.7485      0.00000
     10      11.3252      0.00000
     11      12.6479      0.00000
     12      13.3220      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3290      2.00000
      2       2.6844      2.00000
      3       3.7649      2.00000
      4       4.1221      2.00000
      5       6.7032      0.02283
      6       7.2987      0.00006
      7       8.6673      0.00000
      8       9.7003      0.00000
      9      10.0548      0.00000
     10      11.1900      0.00000
     11      12.2584      0.00000
     12      13.2431      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0867      2.00000
      2       1.7054      2.00000
      3       4.0171      2.00000
      4       4.3352      2.00000
      5       6.9458      0.00204
      6       7.5940      0.00000
      7       8.6979      0.00000
      8       9.0953      0.00000
      9       9.9751      0.00000
     10      11.3725      0.00000
     11      11.4262      0.00000
     12      12.7792      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7577      2.00000
      2       0.8052      2.00000
      3       4.3674      2.00000
      4       4.6329      2.00000
      5       7.2182      0.00013
      6       7.6008      0.00000
      7       7.8480      0.00000
      8       8.4797      0.00000
      9      10.5653      0.00000
     10      11.3382      0.00000
     11      11.6485      0.00000
     12      12.4261      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3663      2.00000
      2       0.0280      2.00000
      3       4.8085      2.00000
      4       4.9832      1.99999
      5       6.8244      0.00685
      6       7.2121      0.00014
      7       7.8631      0.00000
      8       8.3003      0.00000
      9       9.7567      0.00000
     10      11.6909      0.00000
     11      12.0863      0.00000
     12      13.2394      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0117      2.00000
      2      -0.5206      2.00000
      3       5.2879      1.99988
      4       5.2955      1.99987
      5       6.1712      1.40476
      6       6.7905      0.00960
      7       8.3186      0.00000
      8       8.3800      0.00000
      9       9.0284      0.00000
     10      11.5689      0.00000
     11      12.3664      0.00000
     12      13.8849      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3787      2.00000
      2       2.6443      2.00000
      3       3.8801      2.00000
      4       4.5793      2.00000
      5       6.1466      1.50225
      6       7.1318      0.00032
      7       8.6178      0.00000
      8       9.8261      0.00000
      9      10.5010      0.00000
     10      11.7913      0.00000
     11      11.8466      0.00000
     12      12.8833      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3291      2.00000
      2       2.6802      2.00000
      3       3.7677      2.00000
      4       4.1245      2.00000
      5       6.7058      0.02226
      6       7.2990      0.00006
      7       8.6627      0.00000
      8       9.6990      0.00000
      9      10.0532      0.00000
     10      11.1948      0.00000
     11      12.2571      0.00000
     12      13.2748      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1814      2.00000
      2       2.6341      2.00000
      3       3.0703      2.00000
      4       4.1441      2.00000
      5       7.0877      0.00049
      6       8.0887      0.00000
      7       8.7029      0.00000
      8       9.0990      0.00000
      9       9.8188      0.00000
     10      10.4925      0.00000
     11      12.4821      0.00000
     12      13.1080      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9384      2.00000
      2       1.8181      2.00000
      3       3.1482      2.00000
      4       4.3600      2.00000
      5       7.1871      0.00018
      6       8.0221      0.00000
      7       8.4982      0.00000
      8       9.1909      0.00000
      9       9.9028      0.00000
     10      10.6049      0.00000
     11      11.9354      0.00000
     12      13.1306      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6081      2.00000
      2       0.9332      2.00000
      3       3.4599      2.00000
      4       4.6637      2.00000
      5       6.7392      0.01597
      6       7.8615      0.00000
      7       8.0768      0.00000
      8       9.1126      0.00000
      9      10.5284      0.00000
     10      11.1509      0.00000
     11      11.7028      0.00000
     12      12.8256      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2140      2.00000
      2       0.1583      2.00000
      3       3.8521      2.00000
      4       5.0214      1.99999
      5       6.0481      1.77983
      6       7.3007      0.00006
      7       8.2576      0.00000
      8       9.2718      0.00000
      9      10.4514      0.00000
     10      10.9421      0.00000
     11      12.3381      0.00000
     12      13.1530      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8545      2.00000
      2      -0.3936      2.00000
      3       4.2297      2.00000
      4       5.2817      1.99988
      5       5.5662      1.99800
      6       6.8027      0.00850
      7       8.5618      0.00000
      8       9.4164      0.00000
      9       9.9399      0.00000
     10      11.2822      0.00000
     11      11.9833      0.00000
     12      13.0365      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6600      2.00000
      3       4.1145      2.00000
      4       4.8223      2.00000
      5       6.3908      0.41580
      6       7.4356      0.00002
      7       8.8207      0.00000
      8       9.4710      0.00000
      9       9.8998      0.00000
     10      10.9712      0.00000
     11      12.0648      0.00000
     12      12.5121      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0871      2.00000
      2       1.7019      2.00000
      3       4.0197      2.00000
      4       4.3377      2.00000
      5       6.9479      0.00200
      6       7.5960      0.00000
      7       8.6971      0.00000
      8       9.0936      0.00000
      9       9.9690      0.00000
     10      11.3759      0.00000
     11      11.4267      0.00000
     12      12.7771      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9386      2.00000
      2       1.8149      2.00000
      3       3.1520      2.00000
      4       4.3600      2.00000
      5       7.1870      0.00018
      6       8.0233      0.00000
      7       8.5013      0.00000
      8       9.1886      0.00000
      9       9.9007      0.00000
     10      10.6052      0.00000
     11      11.9330      0.00000
     12      13.1357      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6943      2.00000
      2       1.8134      2.00000
      3       2.4042      2.00000
      4       4.5730      2.00000
      5       6.6601      0.03493
      6       7.9144      0.00000
      7       8.9550      0.00000
      8       9.4178      0.00000
      9       9.9105      0.00000
     10      10.6840      0.00000
     11      11.9746      0.00000
     12      12.8215      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       1.1244      2.00000
      3       2.5054      2.00000
      4       4.8510      2.00000
      5       5.9064      1.94175
      6       8.0925      0.00000
      7       8.3532      0.00000
      8       9.6001      0.00000
      9      10.3422      0.00000
     10      11.5411      0.00000
     11      11.7874      0.00000
     12      12.8216      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9627      2.00000
      2       0.3676      2.00000
      3       2.8555      2.00000
      4       4.9216      2.00000
      5       5.4880      1.99909
      6       7.5294      0.00001
      7       8.5227      0.00000
      8       9.9297      0.00000
      9      10.3433      0.00000
     10      11.2542      0.00000
     11      12.3469      0.00000
     12      12.8011      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5938      2.00000
      2      -0.1882      2.00000
      3       3.1949      2.00000
      4       4.5148      2.00000
      5       5.7221      1.99055
      6       6.9995      0.00119
      7       8.8222      0.00000
      8       9.9955      0.00000
      9      10.3125      0.00000
     10      11.2888      0.00000
     11      11.8102      0.00000
     12      13.0850      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8085      2.00000
      2       0.7585      2.00000
      3       4.4435      2.00000
      4       5.1580      1.99997
      5       6.6797      0.02878
      6       7.5831      0.00000
      7       8.0339      0.00000
      8       8.5393      0.00000
      9      10.1178      0.00000
     10      11.3383      0.00000
     11      12.1105      0.00000
     12      12.3932      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7583      2.00000
      2       0.8025      2.00000
      3       4.3698      2.00000
      4       4.6352      2.00000
      5       7.2183      0.00013
      6       7.6033      0.00000
      7       7.8487      0.00000
      8       8.4802      0.00000
      9      10.5652      0.00000
     10      11.3328      0.00000
     11      11.6505      0.00000
     12      12.4242      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6086      2.00000
      2       0.9307      2.00000
      3       3.4637      2.00000
      4       4.6636      2.00000
      5       6.7398      0.01588
      6       7.8602      0.00000
      7       8.0769      0.00000
      8       9.1169      0.00000
      9      10.5317      0.00000
     10      11.1489      0.00000
     11      11.6967      0.00000
     12      12.8266      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1222      2.00000
      3       2.5081      2.00000
      4       4.8509      2.00000
      5       5.9069      1.94149
      6       8.0912      0.00000
      7       8.3516      0.00000
      8       9.6034      0.00000
      9      10.3476      0.00000
     10      11.5386      0.00000
     11      11.7828      0.00000
     12      12.8239      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0248      2.00000
      2       1.1882      2.00000
      3       1.8364      2.00000
      4       4.8115      2.00000
      5       5.4339      1.99947
      6       8.3996      0.00000
      7       8.4298      0.00000
      8       8.9549      0.00000
      9      11.1872      0.00000
     10      11.8082      0.00000
     11      12.0748      0.00000
     12      12.1193      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6179      2.00000
      2       0.6299      2.00000
      3       1.9588      2.00000
      4       4.2142      2.00000
      5       5.7006      1.99237
      6       7.8216      0.00000
      7       8.8208      0.00000
      8       9.0838      0.00000
      9      10.8212      0.00000
     10      11.4657      0.00000
     11      12.1808      0.00000
     12      12.6116      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2329      2.00000
      2       0.0810      2.00000
      3       2.2413      2.00000
      4       3.7366      2.00000
      5       6.0536      1.76869
      6       7.2812      0.00007
      7       9.1584      0.00000
      8       9.3705      0.00000
      9      10.3103      0.00000
     10      11.0864      0.00000
     11      12.4023      0.00000
     12      12.8533      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0182      2.00000
      3       4.8479      2.00000
      4       5.5737      1.99785
      5       6.7505      0.01428
      6       7.4456      0.00001
      7       7.7244      0.00000
      8       7.8884      0.00000
      9       9.3425      0.00000
     10      11.6144      0.00000
     11      12.7673      0.00000
     12      13.0851      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3674      2.00000
      2       0.0260      2.00000
      3       4.8106      2.00000
      4       4.9854      1.99999
      5       6.8231      0.00694
      6       7.2132      0.00014
      7       7.8659      0.00000
      8       8.3025      0.00000
      9       9.7571      0.00000
     10      11.6900      0.00000
     11      12.0905      0.00000
     12      13.2296      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2150      2.00000
      2       0.1564      2.00000
      3       3.8557      2.00000
      4       5.0212      1.99999
      5       6.0492      1.77753
      6       7.2983      0.00006
      7       8.2575      0.00000
      8       9.2769      0.00000
      9      10.4522      0.00000
     10      10.9465      0.00000
     11      12.3382      0.00000
     12      13.1463      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9635      2.00000
      2       0.3659      2.00000
      3       2.8582      2.00000
      4       4.9223      2.00000
      5       5.4881      1.99908
      6       7.5266      0.00001
      7       8.5223      0.00000
      8       9.9330      0.00000
      9      10.3456      0.00000
     10      11.2585      0.00000
     11      12.3470      0.00000
     12      12.8027      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6183      2.00000
      2       0.6286      2.00000
      3       1.9606      2.00000
      4       4.2147      2.00000
      5       5.7006      1.99237
      6       7.8189      0.00000
      7       8.8212      0.00000
      8       9.0863      0.00000
      9      10.8194      0.00000
     10      11.4672      0.00000
     11      12.1833      0.00000
     12      12.6181      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1966      2.00000
      2       0.7681      2.00000
      3       1.3400      2.00000
      4       3.5395      2.00000
      5       6.0837      1.69975
      6       8.0138      0.00000
      7       8.4366      0.00000
      8       9.2139      0.00000
      9      10.6962      0.00000
     10      10.9768      0.00000
     11      11.7551      0.00000
     12      13.9448      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7813      2.00000
      2       0.3758      2.00000
      3       1.3938      2.00000
      4       3.0892      2.00000
      5       6.4740      0.20498
      6       7.6018      0.00000
      7       8.5566      0.00000
      8       9.5807      0.00000
      9      10.1484      0.00000
     10      10.7924      0.00000
     11      11.6478      0.00000
     12      13.8570      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5649      2.00000
      3       5.2487      1.99992
      4       5.9978      1.86078
      5       6.3343      0.63194
      6       7.0973      0.00045
      7       7.6197      0.00000
      8       8.1154      0.00000
      9       8.6720      0.00000
     10      11.4426      0.00000
     11      13.1100      0.00000
     12      14.1422      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0134      2.00000
      2      -0.5220      2.00000
      3       5.2838      1.99988
      4       5.3042      1.99985
      5       6.1701      1.40945
      6       6.7912      0.00953
      7       8.3207      0.00000
      8       8.3833      0.00000
      9       9.0288      0.00000
     10      11.5677      0.00000
     11      12.3708      0.00000
     12      13.8878      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8560      2.00000
      2      -0.3948      2.00000
      3       4.2332      2.00000
      4       5.2832      1.99988
      5       5.5660      1.99801
      6       6.8004      0.00870
      7       8.5608      0.00000
      8       9.4193      0.00000
      9       9.9446      0.00000
     10      11.2878      0.00000
     11      11.9812      0.00000
     12      13.0396      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5951      2.00000
      2      -0.1893      2.00000
      3       3.1974      2.00000
      4       4.5162      2.00000
      5       5.7220      1.99055
      6       6.9966      0.00123
      7       8.8214      0.00000
      8       9.9958      0.00000
      9      10.3156      0.00000
     10      11.2976      0.00000
     11      11.8096      0.00000
     12      13.0921      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2338      2.00000
      2       0.0802      2.00000
      3       2.2430      2.00000
      4       3.7374      2.00000
      5       6.0538      1.76829
      6       7.2781      0.00007
      7       9.1577      0.00000
      8       9.3748      0.00000
      9      10.3070      0.00000
     10      11.0883      0.00000
     11      12.4050      0.00000
     12      12.8632      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7818      2.00000
      2       0.3753      2.00000
      3       1.3947      2.00000
      4       3.0896      2.00000
      5       6.4744      0.20437
      6       7.5987      0.00000
      7       8.5597      0.00000
      8       9.5817      0.00000
      9      10.1448      0.00000
     10      10.7940      0.00000
     11      11.6490      0.00000
     12      13.8583      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2968      2.00000
      2       0.5572      2.00000
      3       0.7577      2.00000
      4       2.6821      2.00000
      5       6.9189      0.00267
      6       7.8169      0.00000
      7       7.9631      0.00000
      8       9.7166      0.00000
      9      10.0874      0.00000
     10      10.8056      0.00000
     11      11.0561      0.00000
     12      13.7180      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2311      2.00000
      2       2.5800      2.00000
      3       3.0700      2.00000
      4       4.7259      2.00000
      5       6.4108      0.35386
      6       8.0453      0.00000
      7       8.6486      0.00000
      8       9.1573      0.00000
      9      10.4965      0.00000
     10      10.8501      0.00000
     11      11.8503      0.00000
     12      12.6338      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1815      2.00000
      2       2.6315      2.00000
      3       3.0690      2.00000
      4       4.1489      2.00000
      5       7.0916      0.00047
      6       8.0862      0.00000
      7       8.6977      0.00000
      8       9.0982      0.00000
      9       9.8208      0.00000
     10      10.4954      0.00000
     11      12.4863      0.00000
     12      13.1111      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0334      2.00000
      2       2.7859      2.00000
      3       2.7892      2.00000
      4       3.5479      2.00000
      5       8.1591      0.00000
      6       8.1601      0.00000
      7       8.8351      0.00000
      8       8.8540      0.00000
      9       8.8650      0.00000
     10      10.1787      0.00000
     11      13.0585      0.00000
     12      13.7811      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7898      2.00000
      2       1.9425      2.00000
      3       3.0424      2.00000
      4       3.6087      2.00000
      5       7.6322      0.00000
      6       7.9947      0.00000
      7       8.6145      0.00000
      8       9.0800      0.00000
      9       9.3098      0.00000
     10      10.6000      0.00000
     11      12.7743      0.00000
     12      13.6577      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4582      2.00000
      2       1.0649      2.00000
      3       3.3991      2.00000
      4       3.8488      2.00000
      5       6.7350      0.01665
      6       7.3072      0.00006
      7       8.9215      0.00000
      8       9.3932      0.00000
      9       9.6684      0.00000
     10      11.8375      0.00000
     11      12.0269      0.00000
     12      12.9309      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0618      2.00000
      2       0.2909      2.00000
      3       3.8505      2.00000
      4       4.1377      2.00000
      5       5.9009      1.94477
      6       6.6904      0.02589
      7       9.3572      0.00000
      8       9.6917      0.00000
      9       9.9374      0.00000
     10      11.2567      0.00000
     11      12.1572      0.00000
     12      12.9820      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6975      2.00000
      2      -0.2646      2.00000
      3       4.3608      2.00000
      4       4.3685      2.00000
      5       5.1965      1.99995
      6       6.2907      0.83322
      7       9.8274      0.00000
      8       9.8834      0.00000
      9      10.2665      0.00000
     10      10.5564      0.00000
     11      11.5965      0.00000
     12      12.9157      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7697      2.00000
      3       3.1258      2.00000
      4       4.9687      1.99999
      5       6.5691      0.08455
      6       7.9135      0.00000
      7       8.5942      0.00000
      8       9.6078      0.00000
      9      10.0271      0.00000
     10      10.9317      0.00000
     11      11.3374      0.00000
     12      12.6402      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8146      2.00000
      3       3.1483      2.00000
      4       4.3650      2.00000
      5       7.1892      0.00018
      6       8.0208      0.00000
      7       8.4996      0.00000
      8       9.1908      0.00000
      9       9.9004      0.00000
     10      10.6063      0.00000
     11      11.9372      0.00000
     12      13.1370      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       1.9392      2.00000
      3       3.0447      2.00000
      4       3.6102      2.00000
      5       7.6299      0.00000
      6       7.9957      0.00000
      7       8.6174      0.00000
      8       9.0838      0.00000
      9       9.3085      0.00000
     10      10.5962      0.00000
     11      12.7736      0.00000
     12      13.6638      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5452      2.00000
      2       1.9690      2.00000
      3       2.4555      2.00000
      4       3.6313      2.00000
      5       6.8651      0.00456
      6       7.9166      0.00000
      7       8.5397      0.00000
      8       9.1000      0.00000
      9      10.0708      0.00000
     10      10.9334      0.00000
     11      13.0605      0.00000
     12      13.0796      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2113      2.00000
      2       1.2644      2.00000
      3       2.6056      2.00000
      4       3.8879      2.00000
      5       6.0123      1.84079
      6       7.3190      0.00005
      7       8.6474      0.00000
      8       9.4150      0.00000
      9      10.6279      0.00000
     10      11.8700      0.00000
     11      12.3524      0.00000
     12      12.6890      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8104      2.00000
      2       0.5044      2.00000
      3       2.9788      2.00000
      4       4.1971      2.00000
      5       5.2621      1.99990
      6       6.6660      0.03294
      7       8.9707      0.00000
      8       9.7739      0.00000
      9      10.8973      0.00000
     10      11.3881      0.00000
     11      12.0347      0.00000
     12      13.5854      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4371      2.00000
      2      -0.0556      2.00000
      3       3.3409      2.00000
      4       4.4065      2.00000
      5       4.7663      2.00000
      6       6.2235      1.16603
      7       9.2526      0.00000
      8      10.1330      0.00000
      9      10.8112      0.00000
     10      11.1118      0.00000
     11      11.5728      0.00000
     12      13.5023      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6589      2.00000
      2       0.8855      2.00000
      3       3.4287      2.00000
      4       5.3042      1.99985
      5       6.4569      0.23863
      6       7.4671      0.00001
      7       8.6824      0.00000
      8       8.8192      0.00000
      9      10.6503      0.00000
     10      11.2472      0.00000
     11      11.4928      0.00000
     12      12.5294      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6087      2.00000
      2       0.9305      2.00000
      3       3.4597      2.00000
      4       4.6685      2.00000
      5       6.7371      0.01631
      6       7.8641      0.00000
      7       8.0803      0.00000
      8       9.1132      0.00000
      9      10.5321      0.00000
     10      11.1522      0.00000
     11      11.6955      0.00000
     12      12.8247      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4588      2.00000
      2       1.0622      2.00000
      3       3.4012      2.00000
      4       3.8502      2.00000
      5       6.7337      0.01687
      6       7.3072      0.00006
      7       8.9243      0.00000
      8       9.3975      0.00000
      9       9.6710      0.00000
     10      11.8296      0.00000
     11      12.0269      0.00000
     12      12.9297      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2116      2.00000
      2       1.2621      2.00000
      3       2.6084      2.00000
      4       3.8878      2.00000
      5       6.0126      1.84036
      6       7.3169      0.00005
      7       8.6504      0.00000
      8       9.4152      0.00000
      9      10.6344      0.00000
     10      11.8645      0.00000
     11      12.3486      0.00000
     12      12.6890      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8738      2.00000
      2       1.3446      2.00000
      3       1.9427      2.00000
      4       4.1188      2.00000
      5       5.2394      1.99992
      6       7.3380      0.00004
      7       8.0489      0.00000
      8       9.7310      0.00000
      9      11.2784      0.00000
     10      11.8844      0.00000
     11      12.5427      0.00000
     12      12.7912      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4653      2.00000
      2       0.7745      2.00000
      3       2.0899      2.00000
      4       4.1381      2.00000
      5       4.8449      2.00000
      6       6.8533      0.00514
      7       8.1211      0.00000
      8      10.0383      0.00000
      9      10.6859      0.00000
     10      12.0005      0.00000
     11      12.8455      0.00000
     12      13.3134      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0765      2.00000
      2       0.2194      2.00000
      3       2.3909      2.00000
      4       3.7751      2.00000
      5       5.0131      1.99999
      6       6.3870      0.42866
      7       8.3395      0.00000
      8      10.0589      0.00000
      9      10.5428      0.00000
     10      11.6781      0.00000
     11      13.0068      0.00000
     12      13.6616      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2661      2.00000
      2       0.1115      2.00000
      3       3.8130      2.00000
      4       5.7196      1.99078
      5       5.9123      1.93829
      6       7.5792      0.00000
      7       7.8713      0.00000
      8       8.9549      0.00000
      9      10.1168      0.00000
     10      11.6287      0.00000
     11      12.2102      0.00000
     12      12.8433      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2151      2.00000
      2       0.1563      2.00000
      3       3.8516      2.00000
      4       5.0256      1.99999
      5       6.0461      1.78370
      6       7.3033      0.00006
      7       8.2629      0.00000
      8       9.2726      0.00000
      9      10.4519      0.00000
     10      10.9465      0.00000
     11      12.3360      0.00000
     12      13.1463      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0628      2.00000
      2       0.2890      2.00000
      3       3.8524      2.00000
      4       4.1389      2.00000
      5       5.9001      1.94518
      6       6.6906      0.02585
      7       9.3598      0.00000
      8       9.6959      0.00000
      9       9.9414      0.00000
     10      11.2571      0.00000
     11      12.1561      0.00000
     12      12.9813      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5026      2.00000
      3       2.9816      2.00000
      4       4.1969      2.00000
      5       5.2625      1.99990
      6       6.6641      0.03356
      7       8.9742      0.00000
      8       9.7737      0.00000
      9      10.9047      0.00000
     10      11.3859      0.00000
     11      12.0358      0.00000
     12      13.5787      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7731      2.00000
      3       2.0918      2.00000
      4       4.1384      2.00000
      5       4.8447      2.00000
      6       6.8513      0.00524
      7       8.1237      0.00000
      8      10.0385      0.00000
      9      10.6855      0.00000
     10      12.0012      0.00000
     11      12.8512      0.00000
     12      13.3144      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0432      2.00000
      2       0.9249      2.00000
      3       1.4706      2.00000
      4       3.5897      2.00000
      5       5.0875      1.99998
      6       6.9425      0.00211
      7       7.5403      0.00001
      8       9.8497      0.00000
      9      10.6263      0.00000
     10      12.2750      0.00000
     11      12.9051      0.00000
     12      14.0765      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6253      2.00000
      2       0.5231      2.00000
      3       1.5450      2.00000
      4       3.1495      2.00000
      5       5.4291      1.99949
      6       6.6105      0.05669
      7       7.5304      0.00001
      8       9.4971      0.00000
      9      10.9392      0.00000
     10      11.9960      0.00000
     11      12.9232      0.00000
     12      14.5542      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4385      2.00000
      3       4.1817      2.00000
      4       5.4016      1.99961
      5       6.1431      1.51505
      6       7.2440      0.00010
      7       7.8028      0.00000
      8       8.9597      0.00000
      9       9.8237      0.00000
     10      11.9621      0.00000
     11      12.0063      0.00000
     12      13.3880      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8561      2.00000
      2      -0.3950      2.00000
      3       4.2291      2.00000
      4       5.2829      1.99988
      5       5.5673      1.99798
      6       6.8056      0.00826
      7       8.5681      0.00000
      8       9.4178      0.00000
      9       9.9387      0.00000
     10      11.2879      0.00000
     11      11.9787      0.00000
     12      13.0419      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6989      2.00000
      2      -0.2659      2.00000
      3       4.3564      2.00000
      4       4.3763      2.00000
      5       5.1954      1.99995
      6       6.2912      0.83080
      7       9.8300      0.00000
      8       9.8875      0.00000
      9      10.2720      0.00000
     10      10.5566      0.00000
     11      11.5945      0.00000
     12      12.9186      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4383      2.00000
      2      -0.0567      2.00000
      3       3.3435      2.00000
      4       4.4078      2.00000
      5       4.7652      2.00000
      6       6.2221      1.17296
      7       9.2563      0.00000
      8      10.1339      0.00000
      9      10.8076      0.00000
     10      11.1171      0.00000
     11      11.5774      0.00000
     12      13.5055      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0774      2.00000
      2       0.2185      2.00000
      3       2.3927      2.00000
      4       3.7760      2.00000
      5       5.0126      1.99999
      6       6.3850      0.43518
      7       8.3424      0.00000
      8      10.0605      0.00000
      9      10.5401      0.00000
     10      11.6778      0.00000
     11      13.0157      0.00000
     12      13.6657      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6259      2.00000
      2       0.5225      2.00000
      3       1.5460      2.00000
      4       3.1499      2.00000
      5       5.4290      1.99949
      6       6.6086      0.05777
      7       7.5326      0.00001
      8       9.4973      0.00000
      9      10.9384      0.00000
     10      11.9950      0.00000
     11      12.9253      0.00000
     12      14.5648      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1409      2.00000
      2       0.7142      2.00000
      3       0.9102      2.00000
      4       2.7419      2.00000
      5       5.8752      1.95703
      6       6.7433      0.01534
      7       6.9296      0.00240
      8       9.1451      0.00000
      9      11.3842      0.00000
     10      12.1292      0.00000
     11      12.3483      0.00000
     12      14.6342      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7591      2.00000
      3       2.3749      2.00000
      4       5.2114      1.99994
      5       6.3577      0.53515
      6       7.4626      0.00001
      7       9.7113      0.00000
      8       9.7357      0.00000
      9      10.0260      0.00000
     10      10.3517      0.00000
     11      11.3004      0.00000
     12      12.4462      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8111      2.00000
      3       2.4030      2.00000
      4       4.5779      2.00000
      5       6.6579      0.03567
      6       7.9179      0.00000
      7       8.9585      0.00000
      8       9.4201      0.00000
      9       9.9074      0.00000
     10      10.6818      0.00000
     11      11.9802      0.00000
     12      12.8224      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5454      2.00000
      2       1.9667      2.00000
      3       2.4549      2.00000
      4       3.6346      2.00000
      5       6.8620      0.00471
      6       7.9194      0.00000
      7       8.5416      0.00000
      8       9.1054      0.00000
      9      10.0672      0.00000
     10      10.9306      0.00000
     11      13.0704      0.00000
     12      13.0739      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2994      2.00000
      2       2.2254      2.00000
      3       2.2282      2.00000
      4       3.0640      2.00000
      5       6.8981      0.00328
      6       6.9007      0.00320
      7       7.9365      0.00000
      8      10.3162      0.00000
      9      10.3208      0.00000
     10      11.1705      0.00000
     11      12.3439      0.00000
     12      13.7439      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       1.4831      2.00000
      3       2.5852      2.00000
      4       3.1523      2.00000
      5       5.9569      1.90524
      6       6.5459      0.10542
      7       7.8183      0.00000
      8      10.6596      0.00000
      9      10.8565      0.00000
     10      11.3765      0.00000
     11      12.5480      0.00000
     12      13.5723      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5588      2.00000
      2       0.7257      2.00000
      3       3.0409      2.00000
      4       3.3926      2.00000
      5       5.1078      1.99998
      6       6.0274      1.81722
      7       8.0331      0.00000
      8      10.4495      0.00000
      9      11.0944      0.00000
     10      11.5084      0.00000
     11      12.9347      0.00000
     12      13.9414      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1772      2.00000
      2       0.1599      2.00000
      3       3.5578      2.00000
      4       3.5893      2.00000
      5       4.3931      2.00000
      6       5.6735      1.99417
      7       8.2562      0.00000
      8      10.0647      0.00000
      9      11.6005      0.00000
     10      11.6305      0.00000
     11      12.2870      0.00000
     12      14.0121      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4125      2.00000
      2       1.0741      2.00000
      3       2.4671      2.00000
      4       5.5464      1.99836
      5       5.7105      1.99157
      6       7.5444      0.00001
      7       8.9155      0.00000
      8      10.0102      0.00000
      9      10.2128      0.00000
     10      11.0976      0.00000
     11      11.4299      0.00000
     12      12.6259      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1216      2.00000
      3       2.5051      2.00000
      4       4.8552      2.00000
      5       5.9044      1.94286
      6       8.0959      0.00000
      7       8.3568      0.00000
      8       9.6050      0.00000
      9      10.3431      0.00000
     10      11.5427      0.00000
     11      11.7824      0.00000
     12      12.8219      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2617      2.00000
      3       2.6057      2.00000
      4       3.8912      2.00000
      5       6.0098      1.84440
      6       7.3205      0.00005
      7       8.6511      0.00000
      8       9.4213      0.00000
      9      10.6282      0.00000
     10      11.8644      0.00000
     11      12.3510      0.00000
     12      12.6915      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       1.4806      2.00000
      3       2.5871      2.00000
      4       3.1531      2.00000
      5       5.9557      1.90639
      6       6.5459      0.10543
      7       7.8209      0.00000
      8      10.6619      0.00000
      9      10.8614      0.00000
     10      11.3743      0.00000
     11      12.5421      0.00000
     12      13.5725      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6247      2.00000
      2       1.6044      2.00000
      3       2.0817      2.00000
      4       3.2274      2.00000
      5       5.3114      1.99984
      6       6.3066      0.75708
      7       7.2560      0.00009
      8      10.3485      0.00000
      9      11.2280      0.00000
     10      12.2116      0.00000
     11      13.0125      0.00000
     12      13.9501      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2131      2.00000
      2       1.0105      2.00000
      3       2.2953      2.00000
      4       3.5075      2.00000
      5       4.5846      2.00000
      6       5.9189      1.93426
      7       7.2056      0.00015
      8       9.7516      0.00000
      9      11.6142      0.00000
     10      12.7700      0.00000
     11      13.6218      0.00000
     12      14.2428      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8172      2.00000
      2       0.4453      2.00000
      3       2.6367      2.00000
      4       3.7123      2.00000
      5       4.0850      2.00000
      6       5.5501      1.99830
      7       7.3372      0.00004
      8       9.3729      0.00000
      9      11.9773      0.00000
     10      12.8741      0.00000
     11      13.3007      0.00000
     12      14.9030      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0148      2.00000
      2       0.3192      2.00000
      3       2.8114      2.00000
      4       5.0224      1.99999
      5       5.9616      1.90090
      6       7.8110      0.00000
      7       8.1101      0.00000
      8       9.7714      0.00000
      9      10.5960      0.00000
     10      11.1178      0.00000
     11      12.1679      0.00000
     12      12.9242      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9638      2.00000
      2       0.3654      2.00000
      3       2.8549      2.00000
      4       4.9214      2.00000
      5       5.4906      1.99906
      6       7.5319      0.00001
      7       8.5284      0.00000
      8       9.9343      0.00000
      9      10.3459      0.00000
     10      11.2540      0.00000
     11      12.3474      0.00000
     12      12.8062      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8113      2.00000
      2       0.5023      2.00000
      3       2.9785      2.00000
      4       4.2000      2.00000
      5       5.2605      1.99991
      6       6.6677      0.03241
      7       8.9747      0.00000
      8       9.7806      0.00000
      9      10.8987      0.00000
     10      11.3873      0.00000
     11      12.0371      0.00000
     12      13.5783      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5595      2.00000
      2       0.7239      2.00000
      3       3.0426      2.00000
      4       3.3932      2.00000
      5       5.1069      1.99998
      6       6.0273      1.81735
      7       8.0363      0.00000
      8      10.4507      0.00000
      9      11.0982      0.00000
     10      11.5110      0.00000
     11      12.9357      0.00000
     12      13.9336      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2135      2.00000
      2       1.0090      2.00000
      3       2.2973      2.00000
      4       3.5074      2.00000
      5       4.5846      2.00000
      6       5.9177      1.93499
      7       7.2076      0.00015
      8       9.7520      0.00000
      9      11.6140      0.00000
     10      12.7764      0.00000
     11      13.6212      0.00000
     12      14.2363      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7892      2.00000
      2       1.1855      2.00000
      3       1.6794      2.00000
      4       3.5573      2.00000
      5       4.2321      2.00000
      6       5.9062      1.94187
      7       6.6354      0.04447
      8       9.1743      0.00000
      9      12.0183      0.00000
     10      13.6288      0.00000
     11      14.2005      0.00000
     12      14.3546      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3667      2.00000
      2       0.7652      2.00000
      3       1.7949      2.00000
      4       3.2306      2.00000
      5       4.4131      2.00000
      6       5.6393      1.99586
      7       6.5246      0.12891
      8       8.8329      0.00000
      9      12.3986      0.00000
     10      13.3740      0.00000
     11      14.3251      0.00000
     12      14.8115      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6478      2.00000
      2      -0.2344      2.00000
      3       3.1447      2.00000
      4       4.5126      2.00000
      5       6.3843      0.43778
      6       7.4855      0.00001
      7       8.0633      0.00000
      8       9.4678      0.00000
      9      10.9556      0.00000
     10      11.2475      0.00000
     11      12.3621      0.00000
     12      12.4875      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5954      2.00000
      2      -0.1897      2.00000
      3       3.1940      2.00000
      4       4.5133      2.00000
      5       5.7262      1.99015
      6       7.0025      0.00116
      7       8.8288      0.00000
      8       9.9977      0.00000
      9      10.3167      0.00000
     10      11.2889      0.00000
     11      11.8100      0.00000
     12      13.0931      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4385      2.00000
      2      -0.0570      2.00000
      3       3.3401      2.00000
      4       4.4077      2.00000
      5       4.7669      2.00000
      6       6.2254      1.15689
      7       9.2569      0.00000
      8      10.1415      0.00000
      9      10.8092      0.00000
     10      11.1158      0.00000
     11      11.5718      0.00000
     12      13.5028      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1784      2.00000
      2       0.1586      2.00000
      3       3.5574      2.00000
      4       3.5923      2.00000
      5       4.3919      2.00000
      6       5.6738      1.99416
      7       8.2595      0.00000
      8      10.0659      0.00000
      9      11.6023      0.00000
     10      11.6355      0.00000
     11      12.2882      0.00000
     12      14.0137      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8181      2.00000
      2       0.4442      2.00000
      3       2.6386      2.00000
      4       3.7134      2.00000
      5       4.0835      2.00000
      6       5.5492      1.99832
      7       7.3397      0.00004
      8       9.3735      0.00000
      9      11.9767      0.00000
     10      12.8750      0.00000
     11      13.3077      0.00000
     12      14.9090      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3672      2.00000
      2       0.7645      2.00000
      3       1.7960      2.00000
      4       3.2310      2.00000
      5       4.4126      2.00000
      6       5.6382      1.99590
      7       6.5262      0.12695
      8       8.8331      0.00000
      9      12.3984      0.00000
     10      13.3722      0.00000
     11      14.3279      0.00000
     12      14.8208      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1178      2.00000
      2       0.9751      2.00000
      3       1.1623      2.00000
      4       2.8317      2.00000
      5       4.8510      2.00000
      6       5.7048      1.99204
      7       5.9164      1.93581
      8       8.5253      0.00000
      9      12.8458      0.00000
     10      13.5708      0.00000
     11      13.7763      0.00000
     12      15.8091      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0759      2.00000
      2       1.1338      2.00000
      3       1.7978      2.00000
      4       4.9104      2.00000
      5       5.8815      1.95429
      6       7.8026      0.00000
      7       9.1223      0.00000
      8       9.3983      0.00000
      9      10.4771      0.00000
     10      11.3186      0.00000
     11      11.9537      0.00000
     12      12.7247      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       1.1860      2.00000
      3       1.8353      2.00000
      4       4.8109      2.00000
      5       5.4367      1.99945
      6       8.4076      0.00000
      7       8.4297      0.00000
      8       8.9597      0.00000
      9      11.1921      0.00000
     10      11.8075      0.00000
     11      12.0748      0.00000
     12      12.1165      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8743      2.00000
      2       1.3425      2.00000
      3       1.9419      2.00000
      4       4.1218      2.00000
      5       5.2376      1.99993
      6       7.3407      0.00004
      7       8.0515      0.00000
      8       9.7377      0.00000
      9      11.2787      0.00000
     10      11.8825      0.00000
     11      12.5403      0.00000
     12      12.7957      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6250      2.00000
      2       1.6024      2.00000
      3       2.0815      2.00000
      4       3.2297      2.00000
      5       5.3093      1.99985
      6       6.3086      0.74789
      7       7.2576      0.00009
      8      10.3495      0.00000
      9      11.2342      0.00000
     10      12.2081      0.00000
     11      13.0086      0.00000
     12      13.9551      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2831      2.00000
      2       1.9640      2.00000
      3       1.9664      2.00000
      4       2.6957      2.00000
      5       5.3550      1.99976
      6       5.3568      1.99975
      7       6.6485      0.03912
      8       9.6516      0.00000
      9      12.5610      0.00000
     10      12.5659      0.00000
     11      13.5057      0.00000
     12      14.7054      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8660      2.00000
      2       1.3221      2.00000
      3       2.4218      2.00000
      4       2.8152      2.00000
      5       4.5021      2.00000
      6       5.1996      1.99995
      7       6.4027      0.37813
      8       9.0743      0.00000
      9      12.9869      0.00000
     10      13.3052      0.00000
     11      14.6449      0.00000
     12      14.6794      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4580      2.00000
      2       0.7474      2.00000
      3       2.9402      2.00000
      4       2.9947      2.00000
      5       3.7844      2.00000
      6       4.9658      2.00000
      7       6.4145      0.34327
      8       8.7348      0.00000
      9      13.4629      0.00000
     10      13.5713      0.00000
     11      14.1440      0.00000
     12      15.4904      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6700      2.00000
      2       0.5790      2.00000
      3       1.9135      2.00000
      4       4.2050      2.00000
      5       6.2960      0.80779
      6       8.1276      0.00000
      7       8.4331      0.00000
      8       9.6669      0.00000
      9      10.1386      0.00000
     10      11.5162      0.00000
     11      11.9960      0.00000
     12      12.4940      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6189      2.00000
      2       0.6276      2.00000
      3       1.9580      2.00000
      4       4.2124      2.00000
      5       5.7050      1.99203
      6       7.8241      0.00000
      7       8.8263      0.00000
      8       9.0893      0.00000
      9      10.8244      0.00000
     10      11.4677      0.00000
     11      12.1874      0.00000
     12      12.6113      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4662      2.00000
      2       0.7723      2.00000
      3       2.0893      2.00000
      4       4.1380      2.00000
      5       4.8466      2.00000
      6       6.8551      0.00504
      7       8.1251      0.00000
      8      10.0448      0.00000
      9      10.6873      0.00000
     10      12.0046      0.00000
     11      12.8463      0.00000
     12      13.3178      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.0084      2.00000
      3       2.2951      2.00000
      4       3.5097      2.00000
      5       4.5833      2.00000
      6       5.9201      1.93347
      7       7.2084      0.00015
      8       9.7527      0.00000
      9      11.6214      0.00000
     10      12.7707      0.00000
     11      13.6252      0.00000
     12      14.2364      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8664      2.00000
      2       1.3203      2.00000
      3       2.4234      2.00000
      4       2.8155      2.00000
      5       4.5012      2.00000
      6       5.2000      1.99995
      7       6.4042      0.37336
      8       9.0748      0.00000
      9      12.9903      0.00000
     10      13.3094      0.00000
     11      14.6453      0.00000
     12      14.6709      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4391      2.00000
      2       1.5479      2.00000
      3       1.9396      2.00000
      4       2.9878      2.00000
      5       4.0280      2.00000
      6       4.9511      2.00000
      7       5.8206      1.97487
      8       8.5481      0.00000
      9      13.5357      0.00000
     10      14.5140      0.00000
     11      15.1224      0.00000
     12      15.2209      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0082      2.00000
      2       1.0940      2.00000
      3       2.1378      2.00000
      4       3.2173      2.00000
      5       3.5690      2.00000
      6       4.7728      2.00000
      7       5.5996      1.99721
      8       8.2517      0.00000
      9      13.9396      0.00000
     10      14.7588      0.00000
     11      15.1574      0.00000
     12      15.7449      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0327      2.00000
      3       2.1899      2.00000
      4       3.7177      2.00000
      5       6.7184      0.01965
      6       7.8144      0.00000
      7       8.4161      0.00000
      8       9.7673      0.00000
      9      10.0306      0.00000
     10      11.4244      0.00000
     11      11.6766      0.00000
     12      12.7851      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2343      2.00000
      2       0.0793      2.00000
      3       2.2401      2.00000
      4       3.7353      2.00000
      5       6.0579      1.75981
      6       7.2839      0.00007
      7       9.1648      0.00000
      8       9.3763      0.00000
      9      10.3100      0.00000
     10      11.0916      0.00000
     11      12.4097      0.00000
     12      12.8537      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0778      2.00000
      2       0.2178      2.00000
      3       2.3898      2.00000
      4       3.7741      2.00000
      5       5.0161      1.99999
      6       6.3890      0.42196
      7       8.3435      0.00000
      8      10.0624      0.00000
      9      10.5475      0.00000
     10      11.6830      0.00000
     11      13.0061      0.00000
     12      13.6709      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4438      2.00000
      3       2.6360      2.00000
      4       3.7136      2.00000
      5       4.0850      2.00000
      6       5.5513      1.99828
      7       7.3402      0.00004
      8       9.3742      0.00000
      9      11.9852      0.00000
     10      12.8776      0.00000
     11      13.3005      0.00000
     12      14.9060      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4588      2.00000
      2       0.7461      2.00000
      3       2.9408      2.00000
      4       2.9962      2.00000
      5       3.7830      2.00000
      6       4.9662      2.00000
      7       6.4165      0.33746
      8       8.7355      0.00000
      9      13.4660      0.00000
     10      13.5769      0.00000
     11      14.1451      0.00000
     12      15.4920      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0086      2.00000
      2       1.0931      2.00000
      3       2.1391      2.00000
      4       3.2182      2.00000
      5       3.5675      2.00000
      6       4.7726      2.00000
      7       5.6007      1.99718
      8       8.2520      0.00000
      9      13.9395      0.00000
     10      14.7578      0.00000
     11      15.1656      0.00000
     12      15.7484      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4769      2.00000
      2       1.3379      2.00000
      3       1.5087      2.00000
      4       2.9334      2.00000
      5       3.9091      2.00000
      6       4.7480      2.00000
      7       4.9837      1.99999
      8       7.9860      0.00000
      9      14.3853      0.00000
     10      15.0527      0.00000
     11      15.2604      0.00000
     12      16.3978      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2488      2.00000
      2       0.7136      2.00000
      3       1.2944      2.00000
      4       3.5169      2.00000
      5       6.7105      0.02124
      6       8.5049      0.00000
      7       8.7294      0.00000
      8       8.9528      0.00000
      9      10.1917      0.00000
     10      11.0251      0.00000
     11      11.2100      0.00000
     12      13.5220      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1975      2.00000
      2       0.7660      2.00000
      3       1.3387      2.00000
      4       3.5379      2.00000
      5       6.0880      1.68860
      6       8.0173      0.00000
      7       8.4402      0.00000
      8       9.2204      0.00000
      9      10.6978      0.00000
     10      10.9827      0.00000
     11      11.7610      0.00000
     12      13.9516      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0439      2.00000
      2       0.9229      2.00000
      3       1.4694      2.00000
      4       3.5884      2.00000
      5       5.0907      1.99998
      6       6.9453      0.00205
      7       7.5431      0.00001
      8       9.8521      0.00000
      9      10.6326      0.00000
     10      12.2818      0.00000
     11      12.9106      0.00000
     12      14.0722      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7898      2.00000
      2       1.1836      2.00000
      3       1.6785      2.00000
      4       3.5574      2.00000
      5       4.2333      2.00000
      6       5.9082      1.94072
      7       6.6373      0.04367
      8       9.1755      0.00000
      9      12.0262      0.00000
     10      13.6352      0.00000
     11      14.2054      0.00000
     12      14.3511      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4394      2.00000
      2       1.5462      2.00000
      3       1.9393      2.00000
      4       2.9895      2.00000
      5       4.0270      2.00000
      6       4.9526      2.00000
      7       5.8215      1.97465
      8       8.5487      0.00000
      9      13.5439      0.00000
     10      14.5114      0.00000
     11      15.1269      0.00000
     12      15.2163      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0058      2.00000
      2       2.0050      2.00000
      3       2.0070      2.00000
      4       2.4581      2.00000
      5       4.0937      2.00000
      6       4.0951      2.00000
      7       5.1641      1.99996
      8       8.0776      0.00000
      9      14.9600      0.00000
     10      14.9648      0.00000
     11      15.8101      0.00000
     12      15.9440      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4413      2.00000
      2       1.4852      2.00000
      3       2.5233      2.00000
      4       2.5921      2.00000
      5       3.3767      2.00000
      6       4.1204      2.00000
      7       4.7845      2.00000
      8       7.8208      0.00000
      9      15.4046      0.00000
     10      15.6050      0.00000
     11      15.9897      0.00000
     12      16.8397      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8347      2.00000
      2       0.3244      2.00000
      3       1.3416      2.00000
      4       3.0666      2.00000
      5       7.1352      0.00031
      6       8.2068      0.00000
      7       8.8541      0.00000
      8       9.2171      0.00000
      9       9.9505      0.00000
     10      10.6221      0.00000
     11      10.9061      0.00000
     12      13.4421      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7826      2.00000
      2       0.3738      2.00000
      3       1.3922      2.00000
      4       3.0882      2.00000
      5       6.4783      0.19732
      6       7.6042      0.00000
      7       8.5617      0.00000
      8       9.5886      0.00000
      9      10.1475      0.00000
     10      10.7997      0.00000
     11      11.6544      0.00000
     12      13.8600      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6265      2.00000
      2       0.5212      2.00000
      3       1.5436      2.00000
      4       3.1487      2.00000
      5       5.4324      1.99948
      6       6.6124      0.05566
      7       7.5342      0.00001
      8       9.4994      0.00000
      9      10.9461      0.00000
     10      12.0018      0.00000
     11      12.9310      0.00000
     12      14.5554      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3676      2.00000
      2       0.7635      2.00000
      3       1.7938      2.00000
      4       3.2301      2.00000
      5       4.4154      2.00000
      6       5.6407      1.99580
      7       6.5272      0.12576
      8       8.8344      0.00000
      9      12.4069      0.00000
     10      13.3798      0.00000
     11      14.3340      0.00000
     12      14.8110      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0088      2.00000
      2       1.0925      2.00000
      3       2.1371      2.00000
      4       3.2187      2.00000
      5       3.5687      2.00000
      6       4.7740      2.00000
      7       5.6012      1.99717
      8       8.2525      0.00000
      9      13.9487      0.00000
     10      14.7637      0.00000
     11      15.1570      0.00000
     12      15.7546      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4410      2.00000
      2       1.4839      2.00000
      3       2.5241      2.00000
      4       2.5930      2.00000
      5       3.3753      2.00000
      6       4.1215      2.00000
      7       4.7851      2.00000
      8       7.8211      0.00000
      9      15.4082      0.00000
     10      15.6100      0.00000
     11      15.9910      0.00000
     12      16.8466      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9285      2.00000
      2       1.7970      2.00000
      3       1.9328      2.00000
      4       2.9387      2.00000
      5       3.1602      2.00000
      6       3.8898      2.00000
      7       4.1582      2.00000
      8       7.5890      0.00000
      9      15.9365      0.00000
     10      16.4655      0.00000
     11      16.7183      0.00000
     12      16.8067      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3497      2.00000
      2       0.5027      2.00000
      3       0.7044      2.00000
      4       2.6606      2.00000
      5       7.5729      0.00000
      6       8.5330      0.00000
      7       8.6142      0.00000
      8       9.3253      0.00000
      9      10.0152      0.00000
     10      10.0543      0.00000
     11      10.2942      0.00000
     12      13.3363      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2976      2.00000
      2       0.5551      2.00000
      3       0.7554      2.00000
      4       2.6815      2.00000
      5       6.9229      0.00256
      6       7.8205      0.00000
      7       7.9667      0.00000
      8       9.7202      0.00000
      9      10.0937      0.00000
     10      10.8120      0.00000
     11      11.0615      0.00000
     12      13.7197      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1416      2.00000
      2       0.7123      2.00000
      3       0.9081      2.00000
      4       2.7414      2.00000
      5       5.8786      1.95557
      6       6.7461      0.01493
      7       6.9322      0.00234
      8       9.1475      0.00000
      9      11.3920      0.00000
     10      12.1362      0.00000
     11      12.3547      0.00000
     12      14.6368      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1173      2.00000
      2       0.9733      2.00000
      3       1.1604      2.00000
      4       2.8314      2.00000
      5       4.8538      2.00000
      6       5.7069      1.99188
      7       5.9180      1.93480
      8       8.5269      0.00000
      9      12.8545      0.00000
     10      13.5786      0.00000
     11      13.7837      0.00000
     12      15.8121      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4765      2.00000
      2       1.3363      2.00000
      3       1.5072      2.00000
      4       2.9335      2.00000
      5       3.9112      2.00000
      6       4.7495      2.00000
      7       4.9845      1.99999
      8       7.9869      0.00000
      9      14.3947      0.00000
     10      15.0611      0.00000
     11      15.2685      0.00000
     12      16.3921      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9284      2.00000
      2       1.7955      2.00000
      3       1.9318      2.00000
      4       2.9403      2.00000
      5       3.1602      2.00000
      6       3.8909      2.00000
      7       4.1582      2.00000
      8       7.5893      0.00000
      9      15.9459      0.00000
     10      16.4726      0.00000
     11      16.7260      0.00000
     12      16.8013      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4251      2.00000
      2       2.3135      2.00000
      3       2.3147      2.00000
      4       2.3716      2.00000
      5       3.1705      2.00000
      6       3.1725      2.00000
      7       3.4990      2.00000
      8       7.3771      0.00003
      9      17.2574      0.00000
     10      17.2632      0.00000
     11      17.4554      0.00000
     12      17.9451      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000   0.000
  5.264  22.371  -0.000  -0.000   0.001
 -0.000  -0.000  -0.285  -0.000  -0.000
 -0.000  -0.000  -0.000  -0.285  -0.000
  0.000   0.001  -0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.076  -0.022   0.000   0.000  -0.015
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.093   0.000  -0.000
  0.000   0.000   0.000   0.093   0.000
 -0.015   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1061: real time    0.1061
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.1964: real time    0.1965
    STRESS:  cpu time    2.3893: real time    2.3930
    FORCOR:  cpu time    0.0437: real time    0.0437
    FORHAR:  cpu time    0.0123: real time    0.0123
    MIXING:  cpu time    0.0047: real time    0.0047
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.36493   -72.34220   -72.34220    -0.00000    -0.00000    -0.00000
  Hartree     1.12950     1.13400     1.13400    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42210   -27.42242   -27.42242    -0.00000     0.00000     0.00000
  Local      -3.97452    -4.00898    -4.00898    -0.00000     0.00000    -0.00000
  n-local    58.91016    58.00496    59.82025     0.09929     0.25631     0.41361
  augment    -3.03536    -3.03532    -3.03532     0.00000     0.00000    -0.00000
  Kinetic    46.89518    48.34837    45.41455    -1.28708    -3.61370    -5.95171
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.02470     0.00592     0.00592     0.00000     0.00000     0.00000
  in kB       0.60622     0.14533     0.14533     0.00000     0.00000     0.00000
  external pressure =        0.30 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.459E+00 -.986E-16 -.122E-07   0.416E+00 0.713E-16 -.215E-15   0.187E+00 -.462E-19 0.647E-20   -.538E-04 -.479E-15 0.687E-08
   0.370E+00 -.274E-13 0.233E-13   -.282E+00 0.678E-15 -.296E-15   -.157E+00 0.188E-18 0.192E-18   0.191E-03 -.555E-14 0.272E-07
   0.370E+00 0.800E-15 -.921E-13   -.282E+00 -.144E-14 0.429E-15   -.157E+00 0.450E-18 -.124E-18   0.191E-03 0.283E-15 -.692E-07
   -.131E+00 -.367E-14 -.358E-14   0.148E+00 0.623E-15 -.926E-16   -.229E-01 0.117E-18 0.113E-18   -.328E-03 -.512E-15 -.269E-07
 -----------------------------------------------------------------------------------------------
   0.150E+00 -.303E-13 -.122E-07   -.222E-15 -.674E-16 -.175E-15   -.150E+00 0.709E-18 0.188E-18   0.278E-06 -.626E-14 -.620E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -0.05000      0.00000      0.00000         0.143289     -0.000000      0.000000
      2.01274      2.01342      0.00000        -0.068417     -0.000000     -0.000000
      2.01274      0.00000      2.01342        -0.068417      0.000000      0.000000
      0.00000      2.01342      2.01342        -0.006456     -0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000008     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.55011492 eV

  energy  without entropy=      -13.51005141  energy(sigma->0) =      -13.53008316
 
 d Force =-0.1350816E-05[-0.143E-01, 0.143E-01]  d Energy = 0.4767021E-05-0.612E-05
 d Force = 0.4510281E-16[-0.416E-01, 0.416E-01]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0536: real time    0.0536


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   7/ 13
  Displacement:        2/  2
  Total:              14/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.461538  0.000000 -0.153846      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.153846  0.000000 -0.307692      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.230769  0.000000 -0.307692      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.307692  0.000000 -0.307692      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.384615  0.000000 -0.307692      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.384615  0.000000 -0.384615      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
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  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.4981: real time    0.6489
    FEWALD:  cpu time    0.0036: real time    0.0036
    GENKIN:  cpu time    0.0998: real time    0.0998
    ORTHCH:  cpu time    2.1785: real time    2.1805
     LOOP+:  cpu time   74.5373: real time   74.7259


--------------------------------------- Iteration     16(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0493: real time    0.0500
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   21.1632: real time   21.1698
       DOS:  cpu time    0.0146: real time    0.0146
    CHARGE:  cpu time    0.1714: real time    0.1714
    MIXING:  cpu time    0.0027: real time    0.0027
    --------------------------------------------
      LOOP:  cpu time   21.4046: real time   21.4118

 eigenvalue-minimisations  :  8504
 total energy-change (2. order) :-0.1428365E-02  (-0.1863436E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060227 magnetization 

 Broyden mixing:
  rms(total) = 0.10318E-01    rms(broyden)= 0.10318E-01
  rms(prec ) = 0.41740E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39694600
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80194042
  PAW double counting   =       428.60488662     -327.25771793
  entropy T*S    EENTRO =        -0.04006341
  eigenvalues    EBANDS =        22.58722885
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55154452 eV

  energy without entropy =      -13.51148111  energy(sigma->0) =      -13.53151281


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0490: real time    0.0504
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   25.0021: real time   25.0142
       DOS:  cpu time    0.0129: real time    0.0129
    CHARGE:  cpu time    0.1729: real time    0.1729
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   25.2445: real time   25.2582

 eigenvalue-minimisations  : 10296
 total energy-change (2. order) : 0.8440364E-03  (-0.4449026E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060094 magnetization 

 Broyden mixing:
  rms(total) = 0.54099E-02    rms(broyden)= 0.54099E-02
  rms(prec ) = 0.20541E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7085
  1.7085

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39685533
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80198625
  PAW double counting   =       428.52556786     -327.17838654
  entropy T*S    EENTRO =        -0.04006397
  eigenvalues    EBANDS =        22.58801598
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55070048 eV

  energy without entropy =      -13.51063651  energy(sigma->0) =      -13.53066850


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0497: real time    0.0500
    SETDIJ:  cpu time    0.0042: real time    0.0042
     EDDAV:  cpu time   23.9762: real time   23.9834
       DOS:  cpu time    0.0136: real time    0.0136
    CHARGE:  cpu time    0.1738: real time    0.1769
    MIXING:  cpu time    0.0052: real time    0.0052
    --------------------------------------------
      LOOP:  cpu time   24.2226: real time   24.2333

 eigenvalue-minimisations  :  9744
 total energy-change (2. order) : 0.4728292E-03  (-0.1131500E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060096 magnetization 

 Broyden mixing:
  rms(total) = 0.18203E-02    rms(broyden)= 0.18203E-02
  rms(prec ) = 0.69810E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6246
  1.1682  2.0811

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39738873
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80198299
  PAW double counting   =       428.48839365     -327.14122118
  entropy T*S    EENTRO =        -0.04006404
  eigenvalues    EBANDS =        22.58902786
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55022765 eV

  energy without entropy =      -13.51016361  energy(sigma->0) =      -13.53019563


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0489: real time    0.0492
    SETDIJ:  cpu time    0.0029: real time    0.0029
     EDDAV:  cpu time   24.9557: real time   24.9642
       DOS:  cpu time    0.0171: real time    0.0171
    CHARGE:  cpu time    0.1741: real time    0.1741
    MIXING:  cpu time    0.0055: real time    0.0055
    --------------------------------------------
      LOOP:  cpu time   25.2041: real time   25.2131

 eigenvalue-minimisations  : 10396
 total energy-change (2. order) : 0.9954004E-04  (-0.2787647E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060073 magnetization 

 Broyden mixing:
  rms(total) = 0.48983E-03    rms(broyden)= 0.48983E-03
  rms(prec ) = 0.19252E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8329
  1.0624  1.5908  2.8457

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39751990
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80199750
  PAW double counting   =       428.53804736     -327.19087943
  entropy T*S    EENTRO =        -0.04006362
  eigenvalues    EBANDS =        22.58927720
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55012811 eV

  energy without entropy =      -13.51006449  energy(sigma->0) =      -13.53009630


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0508: real time    0.0512
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   25.0438: real time   25.0559
       DOS:  cpu time    0.0162: real time    0.0162
    --------------------------------------------
      LOOP:  cpu time   25.1146: real time   25.1271

 eigenvalue-minimisations  : 10700
 total energy-change (2. order) : 0.8226098E-05  (-0.3538500E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060073 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39754200
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80200088
  PAW double counting   =       428.57148183     -327.22431334
  entropy T*S    EENTRO =        -0.04006355
  eigenvalues    EBANDS =        22.58931029
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55011988 eV

  energy without entropy =      -13.51005634  energy(sigma->0) =      -13.53008811


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2468       2 -74.2397       3 -74.2401       4 -74.2394
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5664     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6244      2.00000
      2       4.3277      2.00000
      3       4.3298      2.00000
      4       4.3325      2.00000
      5       5.5468      1.99835
      6       5.5530      1.99825
      7       7.6014      0.00000
      8      12.5098      0.00000
      9      12.5111      0.00000
     10      12.5113      0.00000
     11      12.8041      0.00000
     12      12.8126      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6445      2.00000
      3       4.3767      2.00000
      4       4.3789      2.00000
      5       5.5998      1.99721
      6       6.1570      1.46247
      7       7.8020      0.00000
      8      11.5751      0.00000
      9      11.5761      0.00000
     10      12.1691      0.00000
     11      12.8504      0.00000
     12      12.9924      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4279      2.00000
      2       2.6155      2.00000
      3       4.5236      2.00000
      4       4.5256      2.00000
      5       5.7582      1.98646
      6       6.7599      0.01301
      7       8.5744      0.00000
      8      10.4575      0.00000
      9      10.4596      0.00000
     10      11.4053      0.00000
     11      12.8119      0.00000
     12      12.9945      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1861      2.00000
      2       1.6218      2.00000
      3       4.7669      2.00000
      4       4.7688      2.00000
      5       6.0212      1.82728
      6       7.0439      0.00076
      7       9.4208      0.00000
      8       9.4223      0.00000
      9       9.8466      0.00000
     10      10.5249      0.00000
     11      12.3291      0.00000
     12      13.2280      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8579      2.00000
      2       0.7174      2.00000
      3       5.1032      1.99998
      4       5.1048      1.99998
      5       6.3868      0.42922
      6       7.2186      0.00013
      7       8.4856      0.00000
      8       8.4890      0.00000
      9       9.6519      0.00000
     10      11.2344      0.00000
     11      12.0130      0.00000
     12      13.5382      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4682      2.00000
      2      -0.0602      2.00000
      3       5.5200      1.99874
      4       5.5210      1.99873
      5       6.8516      0.00522
      6       7.3433      0.00004
      7       7.6684      0.00000
      8       7.6744      0.00000
      9       8.8343      0.00000
     10      11.4234      0.00000
     11      13.1395      0.00000
     12      13.8870      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1169      2.00000
      2      -0.6064      2.00000
      3       5.9456      1.91498
      4       5.9461      1.91458
      5       7.0419      0.00078
      6       7.0430      0.00077
      7       7.4080      0.00002
      8       7.4178      0.00002
      9       8.1011      0.00000
     10      11.2700      0.00000
     11      14.1642      0.00000
     12      14.5228      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6413      2.00000
      3       4.3767      2.00000
      4       4.3815      2.00000
      5       5.6050      1.99706
      6       6.1539      1.47451
      7       7.8003      0.00000
      8      11.5717      0.00000
      9      11.5758      0.00000
     10      12.1689      0.00000
     11      12.8609      0.00000
     12      12.9889      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5257      2.00000
      2       3.5652      2.00000
      3       3.8396      2.00000
      4       4.4257      2.00000
      5       5.9326      1.92498
      6       6.5058      0.15350
      7       7.9538      0.00000
      8      10.8393      0.00000
      9      11.4717      0.00000
     10      11.8597      0.00000
     11      12.3579      0.00000
     12      12.8478      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3785      2.00000
      2       2.6480      2.00000
      3       3.8813      2.00000
      4       4.5725      2.00000
      5       6.1434      1.51394
      6       7.1325      0.00032
      7       8.6231      0.00000
      8       9.8309      0.00000
      9      10.4982      0.00000
     10      11.7929      0.00000
     11      11.8392      0.00000
     12      12.8762      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1364      2.00000
      2       1.6630      2.00000
      3       4.1157      2.00000
      4       4.8159      2.00000
      5       6.3876      0.42661
      6       7.4351      0.00002
      7       8.8252      0.00000
      8       9.4678      0.00000
      9       9.9062      0.00000
     10      10.9711      0.00000
     11      12.0638      0.00000
     12      12.5053      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8078      2.00000
      2       0.7610      2.00000
      3       4.4449      2.00000
      4       5.1521      1.99997
      5       6.6766      0.02969
      6       7.5833      0.00000
      7       8.0372      0.00000
      8       8.5339      0.00000
      9      10.1175      0.00000
     10      11.3468      0.00000
     11      12.1159      0.00000
     12      12.3816      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4173      2.00000
      2      -0.0164      2.00000
      3       4.8494      2.00000
      4       5.5688      1.99795
      5       6.7504      0.01430
      6       7.4466      0.00001
      7       7.7171      0.00000
      8       7.8880      0.00000
      9       9.3425      0.00000
     10      11.6146      0.00000
     11      12.7623      0.00000
     12      13.0933      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0644      2.00000
      2      -0.5637      2.00000
      3       5.2502      1.99992
      4       5.9946      1.86483
      5       6.3366      0.62220
      6       7.0910      0.00048
      7       7.6135      0.00000
      8       8.1161      0.00000
      9       8.6728      0.00000
     10      11.4416      0.00000
     11      13.1076      0.00000
     12      14.1370      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4281      2.00000
      2       2.6125      2.00000
      3       4.5234      2.00000
      4       4.5282      2.00000
      5       5.7633      1.98576
      6       6.7602      0.01297
      7       8.5689      0.00000
      8      10.4548      0.00000
      9      10.4592      0.00000
     10      11.4059      0.00000
     11      12.8176      0.00000
     12      13.0046      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6451      2.00000
      3       3.8842      2.00000
      4       4.5724      2.00000
      5       6.1454      1.50680
      6       7.1350      0.00031
      7       8.6183      0.00000
      8       9.8308      0.00000
      9      10.4956      0.00000
     10      11.7928      0.00000
     11      11.8426      0.00000
     12      12.8796      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2310      2.00000
      2       2.5826      2.00000
      3       3.0717      2.00000
      4       4.7191      2.00000
      5       6.4079      0.36242
      6       8.0480      0.00000
      7       8.6537      0.00000
      8       9.1598      0.00000
      9      10.4927      0.00000
     10      10.8467      0.00000
     11      11.8444      0.00000
     12      12.6320      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9882      2.00000
      2       1.7728      2.00000
      3       3.1266      2.00000
      4       4.9623      2.00000
      5       6.5665      0.08671
      6       7.9163      0.00000
      7       8.5947      0.00000
      8       9.6045      0.00000
      9      10.0333      0.00000
     10      10.9292      0.00000
     11      11.3318      0.00000
     12      12.6367      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6583      2.00000
      2       0.8879      2.00000
      3       3.4298      2.00000
      4       5.2984      1.99986
      5       6.4572      0.23811
      6       7.4665      0.00001
      7       8.6775      0.00000
      8       8.8187      0.00000
      9      10.6500      0.00000
     10      11.2428      0.00000
     11      11.5001      0.00000
     12      12.5260      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2651      2.00000
      2       0.1133      2.00000
      3       3.8143      2.00000
      4       5.7148      1.99121
      5       5.9141      1.93723
      6       7.5781      0.00000
      7       7.8626      0.00000
      8       8.9545      0.00000
      9      10.1172      0.00000
     10      11.6278      0.00000
     11      12.2042      0.00000
     12      12.8488      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9071      2.00000
      2      -0.4373      2.00000
      3       4.1834      2.00000
      4       5.4035      1.99961
      5       6.1399      1.52673
      6       7.2376      0.00011
      7       7.7962      0.00000
      8       8.9592      0.00000
      9       9.8258      0.00000
     10      11.9829      0.00000
     11      11.9830      0.00000
     12      13.3919      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6192      2.00000
      3       4.7664      2.00000
      4       4.7712      2.00000
      5       6.0261      1.81936
      6       7.0456      0.00075
      7       9.4190      0.00000
      8       9.4235      0.00000
      9       9.8371      0.00000
     10      10.5263      0.00000
     11      12.3343      0.00000
     12      13.2372      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1367      2.00000
      2       1.6605      2.00000
      3       4.1186      2.00000
      4       4.8154      2.00000
      5       6.3895      0.42001
      6       7.4393      0.00001
      7       8.8253      0.00000
      8       9.4660      0.00000
      9       9.8982      0.00000
     10      10.9717      0.00000
     11      12.0670      0.00000
     12      12.5108      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9884      2.00000
      2       1.7706      2.00000
      3       3.1291      2.00000
      4       4.9620      2.00000
      5       6.5668      0.08640
      6       7.9175      0.00000
      7       8.5989      0.00000
      8       9.6029      0.00000
      9      10.0264      0.00000
     10      10.9314      0.00000
     11      11.3323      0.00000
     12      12.6378      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7443      2.00000
      2       1.7615      2.00000
      3       2.3762      2.00000
      4       5.2050      1.99995
      5       6.3585      0.53225
      6       7.4618      0.00001
      7       9.7071      0.00000
      8       9.7374      0.00000
      9      10.0229      0.00000
     10      10.3554      0.00000
     11      11.2946      0.00000
     12      12.4464      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4118      2.00000
      2       1.0766      2.00000
      3       2.4680      2.00000
      4       5.5408      1.99845
      5       5.7125      1.99140
      6       7.5413      0.00001
      7       8.9105      0.00000
      8      10.0092      0.00000
      9      10.2089      0.00000
     10      11.0930      0.00000
     11      11.4354      0.00000
     12      12.6295      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0137      2.00000
      2       0.3212      2.00000
      3       2.8127      2.00000
      4       5.0244      1.99999
      5       5.9567      1.90547
      6       7.8087      0.00000
      7       8.1020      0.00000
      8       9.7698      0.00000
      9      10.5924      0.00000
     10      11.1181      0.00000
     11      12.1646      0.00000
     12      12.9240      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6463      2.00000
      2      -0.2331      2.00000
      3       3.1465      2.00000
      4       4.5141      2.00000
      5       6.3811      0.44886
      6       7.4790      0.00001
      7       8.0566      0.00000
      8       9.4665      0.00000
      9      10.9536      0.00000
     10      11.2496      0.00000
     11      12.3616      0.00000
     12      12.4810      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8585      2.00000
      2       0.7153      2.00000
      3       5.1022      1.99998
      4       5.1070      1.99998
      5       6.3916      0.41335
      6       7.2205      0.00013
      7       8.4846      0.00000
      8       8.4892      0.00000
      9       9.6540      0.00000
     10      11.2260      0.00000
     11      12.0170      0.00000
     12      13.5456      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8084      2.00000
      2       0.7590      2.00000
      3       4.4476      2.00000
      4       5.1512      1.99997
      5       6.6783      0.02919
      6       7.5886      0.00000
      7       8.0367      0.00000
      8       8.5330      0.00000
      9      10.1188      0.00000
     10      11.3381      0.00000
     11      12.1211      0.00000
     12      12.3842      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6587      2.00000
      2       0.8861      2.00000
      3       3.4322      2.00000
      4       5.2976      1.99986
      5       6.4583      0.23588
      6       7.4668      0.00001
      7       8.6768      0.00000
      8       8.8235      0.00000
      9      10.6504      0.00000
     10      11.2444      0.00000
     11      11.4929      0.00000
     12      12.5297      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0751      2.00000
      3       2.4697      2.00000
      4       5.5403      1.99846
      5       5.7132      1.99135
      6       7.5411      0.00001
      7       8.9101      0.00000
      8      10.0128      0.00000
      9      10.2096      0.00000
     10      11.0961      0.00000
     11      11.4300      0.00000
     12      12.6269      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0753      2.00000
      2       1.1361      2.00000
      3       1.7990      2.00000
      4       4.9130      2.00000
      5       5.8757      1.95683
      6       7.7985      0.00000
      7       9.1173      0.00000
      8       9.3950      0.00000
      9      10.4705      0.00000
     10      11.3186      0.00000
     11      11.9576      0.00000
     12      12.7773      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6690      2.00000
      2       0.5811      2.00000
      3       1.9147      2.00000
      4       4.2069      2.00000
      5       6.2910      0.83166
      6       8.1241      0.00000
      7       8.4259      0.00000
      8       9.6655      0.00000
      9      10.1319      0.00000
     10      11.5161      0.00000
     11      11.9905      0.00000
     12      12.4938      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2851      2.00000
      2       0.0342      2.00000
      3       2.1918      2.00000
      4       3.7189      2.00000
      5       6.7151      0.02029
      6       7.8077      0.00000
      7       8.4094      0.00000
      8       9.7663      0.00000
      9      10.0272      0.00000
     10      11.4213      0.00000
     11      11.6689      0.00000
     12      12.7869      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4692      2.00000
      2      -0.0617      2.00000
      3       5.5181      1.99876
      4       5.5229      1.99870
      5       6.8566      0.00497
      6       7.3464      0.00004
      7       7.6686      0.00000
      8       7.6732      0.00000
      9       8.8369      0.00000
     10      11.4268      0.00000
     11      13.1309      0.00000
     12      13.8913      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4182      2.00000
      2      -0.0178      2.00000
      3       4.8517      2.00000
      4       5.5670      1.99799
      5       6.7529      0.01394
      6       7.4478      0.00001
      7       7.7174      0.00000
      8       7.8903      0.00000
      9       9.3450      0.00000
     10      11.6188      0.00000
     11      12.7640      0.00000
     12      13.0850      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2659      2.00000
      2       0.1120      2.00000
      3       3.8163      2.00000
      4       5.7131      1.99136
      5       5.9160      1.93606
      6       7.5775      0.00000
      7       7.8631      0.00000
      8       8.9581      0.00000
      9      10.1200      0.00000
     10      11.6286      0.00000
     11      12.2111      0.00000
     12      12.8422      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3201      2.00000
      3       2.8142      2.00000
      4       5.0257      1.99999
      5       5.9553      1.90671
      6       7.8081      0.00000
      7       8.1027      0.00000
      8       9.7713      0.00000
      9      10.5924      0.00000
     10      11.1233      0.00000
     11      12.1645      0.00000
     12      12.9262      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5803      2.00000
      3       1.9156      2.00000
      4       4.2075      2.00000
      5       6.2902      0.83599
      6       8.1237      0.00000
      7       8.4272      0.00000
      8       9.6645      0.00000
      9      10.1324      0.00000
     10      11.5160      0.00000
     11      11.9917      0.00000
     12      12.4998      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2479      2.00000
      2       0.7158      2.00000
      3       1.2958      2.00000
      4       3.5186      2.00000
      5       6.7055      0.02232
      6       8.5000      0.00000
      7       8.7241      0.00000
      8       8.9493      0.00000
      9      10.1843      0.00000
     10      11.0387      0.00000
     11      11.1905      0.00000
     12      13.5204      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8334      2.00000
      2       0.3261      2.00000
      3       1.3436      2.00000
      4       3.0675      2.00000
      5       7.1319      0.00032
      6       8.1998      0.00000
      7       8.8474      0.00000
      8       9.2157      0.00000
      9       9.9467      0.00000
     10      10.6196      0.00000
     11      10.8981      0.00000
     12      13.4400      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1184      2.00000
      2      -0.6073      2.00000
      3       5.9423      1.91766
      4       5.9471      1.91376
      5       7.0442      0.00076
      6       7.0487      0.00073
      7       7.4092      0.00002
      8       7.4175      0.00002
      9       8.1044      0.00000
     10      11.2746      0.00000
     11      14.1657      0.00000
     12      14.5214      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0658      2.00000
      2      -0.5646      2.00000
      3       5.2519      1.99991
      4       5.9908      1.86951
      5       6.3400      0.60756
      6       7.0933      0.00047
      7       7.6122      0.00000
      8       8.1189      0.00000
      9       8.6771      0.00000
     10      11.4468      0.00000
     11      13.1078      0.00000
     12      14.1357      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9084      2.00000
      2      -0.4381      2.00000
      3       4.1849      2.00000
      4       5.4061      1.99960
      5       6.1363      1.53965
      6       7.2401      0.00011
      7       7.7949      0.00000
      8       8.9610      0.00000
      9       9.8308      0.00000
     10      11.9823      0.00000
     11      11.9898      0.00000
     12      13.4171      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6474      2.00000
      2      -0.2337      2.00000
      3       3.1475      2.00000
      4       4.5161      2.00000
      5       6.3777      0.46049
      6       7.4818      0.00001
      7       8.0555      0.00000
      8       9.4677      0.00000
      9      10.9521      0.00000
     10      11.2549      0.00000
     11      12.3654      0.00000
     12      12.4789      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2860      2.00000
      2       0.0340      2.00000
      3       2.1923      2.00000
      4       3.7201      2.00000
      5       6.7123      0.02086
      6       7.8110      0.00000
      7       8.4085      0.00000
      8       9.7673      0.00000
      9      10.0247      0.00000
     10      11.4241      0.00000
     11      11.6684      0.00000
     12      12.7913      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8340      2.00000
      2       0.3262      2.00000
      3       1.3437      2.00000
      4       3.0681      2.00000
      5       7.1299      0.00032
      6       8.2040      0.00000
      7       8.8468      0.00000
      8       9.2121      0.00000
      9       9.9477      0.00000
     10      10.6212      0.00000
     11      10.8976      0.00000
     12      13.4409      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3488      2.00000
      2       0.5047      2.00000
      3       0.7067      2.00000
      4       2.6613      2.00000
      5       7.5690      0.00000
      6       8.5273      0.00000
      7       8.6113      0.00000
      8       9.3180      0.00000
      9      10.0077      0.00000
     10      10.0567      0.00000
     11      10.2858      0.00000
     12      13.3352      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5258      2.00000
      2       3.5627      2.00000
      3       3.8378      2.00000
      4       4.4305      2.00000
      5       5.9368      1.92188
      6       6.5020      0.15897
      7       7.9526      0.00000
      8      10.8354      0.00000
      9      11.4738      0.00000
     10      11.8619      0.00000
     11      12.3596      0.00000
     12      12.8512      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4764      2.00000
      2       3.6134      2.00000
      3       3.6164      2.00000
      4       4.0640      2.00000
      5       6.5523      0.09926
      6       6.5581      0.09395
      7       8.0779      0.00000
      8      10.7457      0.00000
      9      10.7481      0.00000
     10      11.3252      0.00000
     11      12.6480      0.00000
     12      13.3203      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3290      2.00000
      2       2.6838      2.00000
      3       3.7654      2.00000
      4       4.1228      2.00000
      5       6.7021      0.02307
      6       7.2992      0.00006
      7       8.6672      0.00000
      8       9.7004      0.00000
      9      10.0541      0.00000
     10      11.1913      0.00000
     11      12.2575      0.00000
     12      13.2395      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0867      2.00000
      2       1.7049      2.00000
      3       4.0176      2.00000
      4       4.3360      2.00000
      5       6.9445      0.00206
      6       7.5945      0.00000
      7       8.6978      0.00000
      8       9.0951      0.00000
      9       9.9754      0.00000
     10      11.3725      0.00000
     11      11.4263      0.00000
     12      12.7768      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7577      2.00000
      2       0.8048      2.00000
      3       4.3679      2.00000
      4       4.6337      2.00000
      5       7.2157      0.00014
      6       7.6021      0.00000
      7       7.8482      0.00000
      8       8.4798      0.00000
      9      10.5642      0.00000
     10      11.3383      0.00000
     11      11.6497      0.00000
     12      12.4237      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3663      2.00000
      2       0.0277      2.00000
      3       4.8092      2.00000
      4       4.9843      1.99999
      5       6.8225      0.00698
      6       7.2124      0.00014
      7       7.8632      0.00000
      8       8.3010      0.00000
      9       9.7555      0.00000
     10      11.6881      0.00000
     11      12.0889      0.00000
     12      13.2382      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0118      2.00000
      2      -0.5208      2.00000
      3       5.2833      1.99988
      4       5.3030      1.99986
      5       6.1690      1.41387
      6       6.7901      0.00963
      7       8.3192      0.00000
      8       8.3806      0.00000
      9       9.0267      0.00000
     10      11.5660      0.00000
     11      12.3682      0.00000
     12      13.8851      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6450      2.00000
      3       3.8802      2.00000
      4       4.5772      2.00000
      5       6.1486      1.49462
      6       7.1312      0.00032
      7       8.6178      0.00000
      8       9.8272      0.00000
      9      10.4999      0.00000
     10      11.7952      0.00000
     11      11.8426      0.00000
     12      12.8801      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3291      2.00000
      2       2.6809      2.00000
      3       3.7672      2.00000
      4       4.1238      2.00000
      5       6.7068      0.02203
      6       7.2985      0.00006
      7       8.6627      0.00000
      8       9.6989      0.00000
      9      10.0539      0.00000
     10      11.1935      0.00000
     11      12.2580      0.00000
     12      13.2607      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1814      2.00000
      2       2.6341      2.00000
      3       3.0703      2.00000
      4       4.1441      2.00000
      5       7.0877      0.00049
      6       8.0887      0.00000
      7       8.7029      0.00000
      8       9.0990      0.00000
      9       9.8188      0.00000
     10      10.4925      0.00000
     11      12.4821      0.00000
     12      13.1080      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9384      2.00000
      2       1.8176      2.00000
      3       3.1489      2.00000
      4       4.3601      2.00000
      5       7.1868      0.00018
      6       8.0222      0.00000
      7       8.4986      0.00000
      8       9.1899      0.00000
      9       9.9031      0.00000
     10      10.6059      0.00000
     11      11.9341      0.00000
     12      13.1318      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6081      2.00000
      2       0.9329      2.00000
      3       3.4606      2.00000
      4       4.6640      2.00000
      5       6.7389      0.01603
      6       7.8613      0.00000
      7       8.0764      0.00000
      8       9.1126      0.00000
      9      10.5294      0.00000
     10      11.1500      0.00000
     11      11.7034      0.00000
     12      12.8233      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2141      2.00000
      2       0.1580      2.00000
      3       3.8529      2.00000
      4       5.0219      1.99999
      5       6.0478      1.78028
      6       7.2995      0.00006
      7       8.2577      0.00000
      8       9.2722      0.00000
      9      10.4507      0.00000
     10      10.9438      0.00000
     11      12.3353      0.00000
     12      13.1526      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8546      2.00000
      2      -0.3938      2.00000
      3       4.2307      2.00000
      4       5.2824      1.99988
      5       5.5662      1.99800
      6       6.8009      0.00866
      7       8.5621      0.00000
      8       9.4163      0.00000
      9       9.9399      0.00000
     10      11.2856      0.00000
     11      11.9778      0.00000
     12      13.0373      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6604      2.00000
      3       4.1144      2.00000
      4       4.8202      2.00000
      5       6.3928      0.40916
      6       7.4352      0.00002
      7       8.8218      0.00000
      8       9.4705      0.00000
      9       9.8984      0.00000
     10      10.9728      0.00000
     11      12.0669      0.00000
     12      12.5088      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0870      2.00000
      2       1.7024      2.00000
      3       4.0192      2.00000
      4       4.3370      2.00000
      5       6.9492      0.00197
      6       7.5956      0.00000
      7       8.6972      0.00000
      8       9.0939      0.00000
      9       9.9687      0.00000
     10      11.3759      0.00000
     11      11.4265      0.00000
     12      12.7795      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9386      2.00000
      2       1.8154      2.00000
      3       3.1514      2.00000
      4       4.3599      2.00000
      5       7.1874      0.00018
      6       8.0233      0.00000
      7       8.5008      0.00000
      8       9.1896      0.00000
      9       9.9004      0.00000
     10      10.6042      0.00000
     11      11.9343      0.00000
     12      13.1345      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6943      2.00000
      2       1.8134      2.00000
      3       2.4042      2.00000
      4       4.5730      2.00000
      5       6.6601      0.03493
      6       7.9144      0.00000
      7       8.9550      0.00000
      8       9.4178      0.00000
      9       9.9105      0.00000
     10      10.6840      0.00000
     11      11.9746      0.00000
     12      12.8215      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       1.1241      2.00000
      3       2.5059      2.00000
      4       4.8511      2.00000
      5       5.9064      1.94176
      6       8.0921      0.00000
      7       8.3524      0.00000
      8       9.6013      0.00000
      9      10.3424      0.00000
     10      11.5403      0.00000
     11      11.7873      0.00000
     12      12.8230      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9628      2.00000
      2       0.3673      2.00000
      3       2.8561      2.00000
      4       4.9216      2.00000
      5       5.4883      1.99908
      6       7.5278      0.00001
      7       8.5228      0.00000
      8       9.9313      0.00000
      9      10.3430      0.00000
     10      11.2543      0.00000
     11      12.3454      0.00000
     12      12.8020      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5939      2.00000
      2      -0.1885      2.00000
      3       3.1957      2.00000
      4       4.5146      2.00000
      5       5.7232      1.99044
      6       6.9971      0.00122
      7       8.8226      0.00000
      8       9.9950      0.00000
      9      10.3142      0.00000
     10      11.2909      0.00000
     11      11.8070      0.00000
     12      13.0880      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8084      2.00000
      2       0.7589      2.00000
      3       4.4433      2.00000
      4       5.1559      1.99997
      5       6.6818      0.02819
      6       7.5831      0.00000
      7       8.0348      0.00000
      8       8.5375      0.00000
      9      10.1193      0.00000
     10      11.3375      0.00000
     11      12.1199      0.00000
     12      12.3841      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7583      2.00000
      2       0.8028      2.00000
      3       4.3692      2.00000
      4       4.6344      2.00000
      5       7.2208      0.00013
      6       7.6020      0.00000
      7       7.8485      0.00000
      8       8.4802      0.00000
      9      10.5663      0.00000
     10      11.3327      0.00000
     11      11.6493      0.00000
     12      12.4265      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9310      2.00000
      3       3.4630      2.00000
      4       4.6634      2.00000
      5       6.7402      0.01582
      6       7.8605      0.00000
      7       8.0773      0.00000
      8       9.1169      0.00000
      9      10.5307      0.00000
     10      11.1499      0.00000
     11      11.6962      0.00000
     12      12.8289      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1226      2.00000
      3       2.5077      2.00000
      4       4.8508      2.00000
      5       5.9069      1.94147
      6       8.0916      0.00000
      7       8.3523      0.00000
      8       9.6021      0.00000
      9      10.3474      0.00000
     10      11.5395      0.00000
     11      11.7829      0.00000
     12      12.8226      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0248      2.00000
      2       1.1883      2.00000
      3       1.8364      2.00000
      4       4.8115      2.00000
      5       5.4339      1.99947
      6       8.3996      0.00000
      7       8.4298      0.00000
      8       8.9549      0.00000
      9      11.1873      0.00000
     10      11.8083      0.00000
     11      12.0748      0.00000
     12      12.1193      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6179      2.00000
      2       0.6297      2.00000
      3       1.9592      2.00000
      4       4.2142      2.00000
      5       5.7010      1.99234
      6       7.8198      0.00000
      7       8.8214      0.00000
      8       9.0853      0.00000
      9      10.8197      0.00000
     10      11.4660      0.00000
     11      12.1819      0.00000
     12      12.6124      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2329      2.00000
      2       0.0807      2.00000
      3       2.2419      2.00000
      4       3.7364      2.00000
      5       6.0548      1.76636
      6       7.2785      0.00007
      7       9.1586      0.00000
      8       9.3740      0.00000
      9      10.3069      0.00000
     10      11.0868      0.00000
     11      12.4040      0.00000
     12      12.8556      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4182      2.00000
      2      -0.0179      2.00000
      3       4.8473      2.00000
      4       5.5717      1.99789
      5       6.7526      0.01400
      6       7.4484      0.00001
      7       7.7220      0.00000
      8       7.8871      0.00000
      9       9.3441      0.00000
     10      11.6176      0.00000
     11      12.7639      0.00000
     12      13.0852      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3673      2.00000
      2       0.0262      2.00000
      3       4.8100      2.00000
      4       4.9844      1.99999
      5       6.8249      0.00681
      6       7.2129      0.00014
      7       7.8659      0.00000
      8       8.3018      0.00000
      9       9.7583      0.00000
     10      11.6928      0.00000
     11      12.0880      0.00000
     12      13.2307      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2149      2.00000
      2       0.1567      2.00000
      3       3.8549      2.00000
      4       5.0208      1.99999
      5       6.0495      1.77706
      6       7.2996      0.00006
      7       8.2574      0.00000
      8       9.2765      0.00000
      9      10.4529      0.00000
     10      10.9448      0.00000
     11      12.3410      0.00000
     12      13.1468      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9634      2.00000
      2       0.3662      2.00000
      3       2.8576      2.00000
      4       4.9223      2.00000
      5       5.4878      1.99909
      6       7.5282      0.00001
      7       8.5222      0.00000
      8       9.9315      0.00000
      9      10.3458      0.00000
     10      11.2584      0.00000
     11      12.3484      0.00000
     12      12.8018      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6183      2.00000
      2       0.6289      2.00000
      3       1.9601      2.00000
      4       4.2148      2.00000
      5       5.7003      1.99239
      6       7.8207      0.00000
      7       8.8206      0.00000
      8       9.0849      0.00000
      9      10.8210      0.00000
     10      11.4669      0.00000
     11      12.1822      0.00000
     12      12.6173      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1966      2.00000
      2       0.7681      2.00000
      3       1.3400      2.00000
      4       3.5396      2.00000
      5       6.0837      1.69975
      6       8.0138      0.00000
      7       8.4366      0.00000
      8       9.2139      0.00000
      9      10.6962      0.00000
     10      10.9768      0.00000
     11      11.7551      0.00000
     12      13.9294      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7813      2.00000
      2       0.3754      2.00000
      3       1.3942      2.00000
      4       3.0891      2.00000
      5       6.4749      0.20333
      6       7.5987      0.00000
      7       8.5594      0.00000
      8       9.5823      0.00000
      9      10.1446      0.00000
     10      10.7934      0.00000
     11      11.6487      0.00000
     12      13.8572      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0658      2.00000
      2      -0.5646      2.00000
      3       5.2474      1.99992
      4       5.9956      1.86355
      5       6.3368      0.62129
      6       7.0979      0.00045
      7       7.6181      0.00000
      8       8.1156      0.00000
      9       8.6738      0.00000
     10      11.4458      0.00000
     11      13.1077      0.00000
     12      14.1379      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0133      2.00000
      2      -0.5217      2.00000
      3       5.2880      1.99988
      4       5.2970      1.99986
      5       6.1723      1.40026
      6       6.7916      0.00950
      7       8.3200      0.00000
      8       8.3826      0.00000
      9       9.0306      0.00000
     10      11.5706      0.00000
     11      12.3690      0.00000
     12      13.8876      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8559      2.00000
      2      -0.3946      2.00000
      3       4.2322      2.00000
      4       5.2825      1.99988
      5       5.5661      1.99801
      6       6.8022      0.00854
      7       8.5605      0.00000
      8       9.4193      0.00000
      9       9.9446      0.00000
     10      11.2844      0.00000
     11      11.9867      0.00000
     12      13.0388      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5950      2.00000
      2      -0.1890      2.00000
      3       3.1967      2.00000
      4       4.5164      2.00000
      5       5.7209      1.99066
      6       6.9989      0.00120
      7       8.8211      0.00000
      8       9.9963      0.00000
      9      10.3140      0.00000
     10      11.2955      0.00000
     11      11.8128      0.00000
     12      13.0891      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2338      2.00000
      2       0.0805      2.00000
      3       2.2424      2.00000
      4       3.7376      2.00000
      5       6.0527      1.77058
      6       7.2809      0.00007
      7       9.1575      0.00000
      8       9.3713      0.00000
      9      10.3104      0.00000
     10      11.0879      0.00000
     11      12.4033      0.00000
     12      12.8608      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7819      2.00000
      2       0.3756      2.00000
      3       1.3943      2.00000
      4       3.0896      2.00000
      5       6.4735      0.20602
      6       7.6018      0.00000
      7       8.5570      0.00000
      8       9.5802      0.00000
      9      10.1486      0.00000
     10      10.7930      0.00000
     11      11.6482      0.00000
     12      13.8581      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2968      2.00000
      2       0.5572      2.00000
      3       0.7577      2.00000
      4       2.6821      2.00000
      5       6.9189      0.00267
      6       7.8170      0.00000
      7       7.9631      0.00000
      8       9.7166      0.00000
      9      10.0874      0.00000
     10      10.8056      0.00000
     11      11.0561      0.00000
     12      13.7180      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2311      2.00000
      2       2.5804      2.00000
      3       3.0702      2.00000
      4       4.7238      2.00000
      5       6.4129      0.34778
      6       8.0439      0.00000
      7       8.6500      0.00000
      8       9.1578      0.00000
      9      10.4952      0.00000
     10      10.8493      0.00000
     11      11.8483      0.00000
     12      12.6355      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1815      2.00000
      2       2.6319      2.00000
      3       3.0692      2.00000
      4       4.1478      2.00000
      5       7.0930      0.00047
      6       8.0847      0.00000
      7       8.6992      0.00000
      8       9.0980      0.00000
      9       9.8209      0.00000
     10      10.4939      0.00000
     11      12.4852      0.00000
     12      13.1118      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0334      2.00000
      2       2.7863      2.00000
      3       2.7888      2.00000
      4       3.5480      2.00000
      5       8.1566      0.00000
      6       8.1627      0.00000
      7       8.8358      0.00000
      8       8.8533      0.00000
      9       8.8650      0.00000
     10      10.1787      0.00000
     11      13.0585      0.00000
     12      13.7798      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7898      2.00000
      2       1.9420      2.00000
      3       3.0428      2.00000
      4       3.6090      2.00000
      5       7.6306      0.00000
      6       7.9958      0.00000
      7       8.6139      0.00000
      8       9.0807      0.00000
      9       9.3103      0.00000
     10      10.6003      0.00000
     11      12.7732      0.00000
     12      13.6558      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4583      2.00000
      2       1.0645      2.00000
      3       3.3996      2.00000
      4       3.8491      2.00000
      5       6.7341      0.01681
      6       7.3072      0.00006
      7       8.9208      0.00000
      8       9.3947      0.00000
      9       9.6693      0.00000
     10      11.8376      0.00000
     11      12.0256      0.00000
     12      12.9287      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0619      2.00000
      2       0.2906      2.00000
      3       3.8512      2.00000
      4       4.1382      2.00000
      5       5.9000      1.94526
      6       6.6902      0.02596
      7       9.3565      0.00000
      8       9.6936      0.00000
      9       9.9389      0.00000
     10      11.2551      0.00000
     11      12.1543      0.00000
     12      12.9832      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6975      2.00000
      2      -0.2648      2.00000
      3       4.3561      2.00000
      4       4.3755      2.00000
      5       5.1946      1.99995
      6       6.2903      0.83515
      7       9.8281      0.00000
      8       9.8844      0.00000
      9      10.2699      0.00000
     10      10.5540      0.00000
     11      11.5920      0.00000
     12      12.9170      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7702      2.00000
      3       3.1257      2.00000
      4       4.9667      2.00000
      5       6.5710      0.08298
      6       7.9146      0.00000
      7       8.5934      0.00000
      8       9.6071      0.00000
      9      10.0265      0.00000
     10      10.9321      0.00000
     11      11.3361      0.00000
     12      12.6389      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8151      2.00000
      3       3.1482      2.00000
      4       4.3638      2.00000
      5       7.1906      0.00018
      6       8.0219      0.00000
      7       8.4982      0.00000
      8       9.1906      0.00000
      9       9.9005      0.00000
     10      10.6047      0.00000
     11      11.9379      0.00000
     12      13.1349      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       1.9397      2.00000
      3       3.0443      2.00000
      4       3.6099      2.00000
      5       7.6315      0.00000
      6       7.9947      0.00000
      7       8.6180      0.00000
      8       9.0832      0.00000
      9       9.3080      0.00000
     10      10.5959      0.00000
     11      12.7748      0.00000
     12      13.6575      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5452      2.00000
      2       1.9690      2.00000
      3       2.4555      2.00000
      4       3.6313      2.00000
      5       6.8651      0.00456
      6       7.9166      0.00000
      7       8.5397      0.00000
      8       9.1000      0.00000
      9      10.0708      0.00000
     10      10.9335      0.00000
     11      13.0606      0.00000
     12      13.0796      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2113      2.00000
      2       1.2640      2.00000
      3       2.6061      2.00000
      4       3.8880      2.00000
      5       6.0122      1.84096
      6       7.3182      0.00005
      7       8.6485      0.00000
      8       9.4150      0.00000
      9      10.6286      0.00000
     10      11.8692      0.00000
     11      12.3516      0.00000
     12      12.6886      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8104      2.00000
      2       0.5040      2.00000
      3       2.9795      2.00000
      4       4.1973      2.00000
      5       5.2618      1.99990
      6       6.6649      0.03331
      7       8.9723      0.00000
      8       9.7741      0.00000
      9      10.8986      0.00000
     10      11.3855      0.00000
     11      12.0341      0.00000
     12      13.5838      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4371      2.00000
      2      -0.0559      2.00000
      3       3.3417      2.00000
      4       4.4072      2.00000
      5       4.7657      2.00000
      6       6.2222      1.17240
      7       9.2548      0.00000
      8      10.1350      0.00000
      9      10.8068      0.00000
     10      11.1131      0.00000
     11      11.5721      0.00000
     12      13.5015      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6589      2.00000
      2       0.8859      2.00000
      3       3.4286      2.00000
      4       5.3023      1.99986
      5       6.4584      0.23563
      6       7.4688      0.00001
      7       8.6812      0.00000
      8       8.8183      0.00000
      9      10.6526      0.00000
     10      11.2451      0.00000
     11      11.4929      0.00000
     12      12.5267      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6087      2.00000
      2       0.9309      2.00000
      3       3.4595      2.00000
      4       4.6674      2.00000
      5       6.7383      0.01612
      6       7.8658      0.00000
      7       8.0787      0.00000
      8       9.1124      0.00000
      9      10.5314      0.00000
     10      11.1526      0.00000
     11      11.6956      0.00000
     12      12.8254      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4587      2.00000
      2       1.0626      2.00000
      3       3.4007      2.00000
      4       3.8498      2.00000
      5       6.7346      0.01672
      6       7.3072      0.00006
      7       8.9251      0.00000
      8       9.3961      0.00000
      9       9.6700      0.00000
     10      11.8295      0.00000
     11      12.0283      0.00000
     12      12.9319      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2116      2.00000
      2       1.2625      2.00000
      3       2.6079      2.00000
      4       3.8877      2.00000
      5       6.0127      1.84019
      6       7.3178      0.00005
      7       8.6493      0.00000
      8       9.4152      0.00000
      9      10.6338      0.00000
     10      11.8654      0.00000
     11      12.3495      0.00000
     12      12.6893      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8738      2.00000
      2       1.3446      2.00000
      3       1.9427      2.00000
      4       4.1188      2.00000
      5       5.2394      1.99992
      6       7.3380      0.00004
      7       8.0489      0.00000
      8       9.7310      0.00000
      9      11.2784      0.00000
     10      11.8844      0.00000
     11      12.5428      0.00000
     12      12.7912      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4653      2.00000
      2       0.7742      2.00000
      3       2.0904      2.00000
      4       4.1381      2.00000
      5       4.8449      2.00000
      6       6.8520      0.00520
      7       8.1226      0.00000
      8      10.0387      0.00000
      9      10.6851      0.00000
     10      11.9995      0.00000
     11      12.8460      0.00000
     12      13.3150      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0765      2.00000
      2       0.2191      2.00000
      3       2.3915      2.00000
      4       3.7750      2.00000
      5       5.0135      1.99999
      6       6.3852      0.43470
      7       8.3415      0.00000
      8      10.0597      0.00000
      9      10.5410      0.00000
     10      11.6769      0.00000
     11      13.0082      0.00000
     12      13.6647      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2660      2.00000
      2       0.1118      2.00000
      3       3.8126      2.00000
      4       5.7177      1.99095
      5       5.9135      1.93757
      6       7.5828      0.00000
      7       7.8675      0.00000
      8       8.9551      0.00000
      9      10.1184      0.00000
     10      11.6293      0.00000
     11      12.2072      0.00000
     12      12.8435      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2151      2.00000
      2       0.1566      2.00000
      3       3.8513      2.00000
      4       5.0246      1.99999
      5       6.0473      1.78142
      6       7.3032      0.00006
      7       8.2628      0.00000
      8       9.2720      0.00000
      9      10.4536      0.00000
     10      10.9450      0.00000
     11      12.3378      0.00000
     12      13.1471      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0627      2.00000
      2       0.2893      2.00000
      3       3.8518      2.00000
      4       4.1385      2.00000
      5       5.9011      1.94469
      6       6.6909      0.02578
      7       9.3605      0.00000
      8       9.6940      0.00000
      9       9.9399      0.00000
     10      11.2587      0.00000
     11      12.1590      0.00000
     12      12.9801      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5029      2.00000
      3       2.9810      2.00000
      4       4.1966      2.00000
      5       5.2628      1.99990
      6       6.6652      0.03320
      7       8.9725      0.00000
      8       9.7736      0.00000
      9      10.9034      0.00000
     10      11.3885      0.00000
     11      12.0364      0.00000
     12      13.5801      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7735      2.00000
      3       2.0913      2.00000
      4       4.1384      2.00000
      5       4.8447      2.00000
      6       6.8526      0.00517
      7       8.1223      0.00000
      8      10.0382      0.00000
      9      10.6863      0.00000
     10      12.0022      0.00000
     11      12.8507      0.00000
     12      13.3128      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0431      2.00000
      2       0.9249      2.00000
      3       1.4706      2.00000
      4       3.5897      2.00000
      5       5.0875      1.99998
      6       6.9426      0.00211
      7       7.5403      0.00001
      8       9.8497      0.00000
      9      10.6263      0.00000
     10      12.2750      0.00000
     11      12.9051      0.00000
     12      14.0766      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6253      2.00000
      2       0.5227      2.00000
      3       1.5455      2.00000
      4       3.1494      2.00000
      5       5.4296      1.99949
      6       6.6085      0.05783
      7       7.5323      0.00001
      8       9.4969      0.00000
      9      10.9390      0.00000
     10      11.9946      0.00000
     11      12.9250      0.00000
     12      14.5575      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9085      2.00000
      2      -0.4383      2.00000
      3       4.1809      2.00000
      4       5.4033      1.99961
      5       6.1410      1.52286
      6       7.2445      0.00010
      7       7.8013      0.00000
      8       8.9619      0.00000
      9       9.8240      0.00000
     10      11.9830      0.00000
     11      11.9862      0.00000
     12      13.3952      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8560      2.00000
      2      -0.3947      2.00000
      3       4.2283      2.00000
      4       5.2828      1.99988
      5       5.5679      1.99797
      6       6.8054      0.00828
      7       8.5671      0.00000
      8       9.4186      0.00000
      9       9.9397      0.00000
     10      11.2849      0.00000
     11      11.9844      0.00000
     12      13.0387      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6989      2.00000
      2      -0.2656      2.00000
      3       4.3612      2.00000
      4       4.3693      2.00000
      5       5.1973      1.99995
      6       6.2916      0.82887
      7       9.8293      0.00000
      8       9.8864      0.00000
      9      10.2687      0.00000
     10      10.5590      0.00000
     11      11.5990      0.00000
     12      12.9173      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4383      2.00000
      2      -0.0564      2.00000
      3       3.3427      2.00000
      4       4.4071      2.00000
      5       4.7659      2.00000
      6       6.2234      1.16658
      7       9.2542      0.00000
      8      10.1319      0.00000
      9      10.8121      0.00000
     10      11.1159      0.00000
     11      11.5781      0.00000
     12      13.5063      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0774      2.00000
      2       0.2189      2.00000
      3       2.3920      2.00000
      4       3.7761      2.00000
      5       5.0121      1.99999
      6       6.3868      0.42913
      7       8.3404      0.00000
      8      10.0597      0.00000
      9      10.5419      0.00000
     10      11.6790      0.00000
     11      13.0143      0.00000
     12      13.6627      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6259      2.00000
      2       0.5229      2.00000
      3       1.5455      2.00000
      4       3.1500      2.00000
      5       5.4285      1.99950
      6       6.6106      0.05663
      7       7.5307      0.00001
      8       9.4975      0.00000
      9      10.9385      0.00000
     10      11.9964      0.00000
     11      12.9235      0.00000
     12      14.5615      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1409      2.00000
      2       0.7142      2.00000
      3       0.9102      2.00000
      4       2.7419      2.00000
      5       5.8752      1.95703
      6       6.7434      0.01534
      7       6.9296      0.00240
      8       9.1451      0.00000
      9      11.3843      0.00000
     10      12.1292      0.00000
     11      12.3483      0.00000
     12      14.6342      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7595      2.00000
      3       2.3749      2.00000
      4       5.2095      1.99994
      5       6.3590      0.53041
      6       7.4642      0.00001
      7       9.7098      0.00000
      8       9.7335      0.00000
      9      10.0258      0.00000
     10      10.3529      0.00000
     11      11.2983      0.00000
     12      12.4491      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8115      2.00000
      3       2.4030      2.00000
      4       4.5768      2.00000
      5       6.6588      0.03537
      6       7.9192      0.00000
      7       8.9572      0.00000
      8       9.4195      0.00000
      9       9.9064      0.00000
     10      10.6817      0.00000
     11      11.9789      0.00000
     12      12.8252      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5454      2.00000
      2       1.9672      2.00000
      3       2.4548      2.00000
      4       3.6341      2.00000
      5       6.8630      0.00466
      6       7.9185      0.00000
      7       8.5420      0.00000
      8       9.1051      0.00000
      9      10.0663      0.00000
     10      10.9309      0.00000
     11      13.0636      0.00000
     12      13.0813      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2994      2.00000
      2       2.2258      2.00000
      3       2.2278      2.00000
      4       3.0640      2.00000
      5       6.8987      0.00326
      6       6.9002      0.00322
      7       7.9365      0.00000
      8      10.3152      0.00000
      9      10.3217      0.00000
     10      11.1705      0.00000
     11      12.3439      0.00000
     12      13.7439      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       1.4826      2.00000
      3       2.5857      2.00000
      4       3.1524      2.00000
      5       5.9564      1.90576
      6       6.5457      0.10561
      7       7.8193      0.00000
      8      10.6579      0.00000
      9      10.8592      0.00000
     10      11.3758      0.00000
     11      12.5478      0.00000
     12      13.5712      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5588      2.00000
      2       0.7253      2.00000
      3       3.0416      2.00000
      4       3.3928      2.00000
      5       5.1070      1.99998
      6       6.0269      1.81794
      7       8.0345      0.00000
      8      10.4492      0.00000
      9      11.0944      0.00000
     10      11.5088      0.00000
     11      12.9334      0.00000
     12      13.9416      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1772      2.00000
      2       0.1595      2.00000
      3       3.5570      2.00000
      4       3.5921      2.00000
      5       4.3914      2.00000
      6       5.6730      1.99420
      7       8.2580      0.00000
      8      10.0642      0.00000
      9      11.5996      0.00000
     10      11.6325      0.00000
     11      12.2850      0.00000
     12      14.0115      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0745      2.00000
      3       2.4669      2.00000
      4       5.5448      1.99839
      5       5.7113      1.99151
      6       7.5461      0.00001
      7       8.9143      0.00000
      8      10.0103      0.00000
      9      10.2111      0.00000
     10      11.0957      0.00000
     11      11.4312      0.00000
     12      12.6279      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1220      2.00000
      3       2.5049      2.00000
      4       4.8543      2.00000
      5       5.9051      1.94247
      6       8.0973      0.00000
      7       8.3559      0.00000
      8       9.6033      0.00000
      9      10.3421      0.00000
     10      11.5424      0.00000
     11      11.7833      0.00000
     12      12.8249      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2621      2.00000
      3       2.6055      2.00000
      4       3.8907      2.00000
      5       6.0107      1.84308
      6       7.3204      0.00005
      7       8.6502      0.00000
      8       9.4212      0.00000
      9      10.6271      0.00000
     10      11.8655      0.00000
     11      12.3519      0.00000
     12      12.6912      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9639      2.00000
      2       1.4811      2.00000
      3       2.5866      2.00000
      4       3.1530      2.00000
      5       5.9562      1.90587
      6       6.5461      0.10524
      7       7.8200      0.00000
      8      10.6637      0.00000
      9      10.8587      0.00000
     10      11.3751      0.00000
     11      12.5423      0.00000
     12      13.5736      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6247      2.00000
      2       1.6044      2.00000
      3       2.0817      2.00000
      4       3.2274      2.00000
      5       5.3114      1.99984
      6       6.3066      0.75706
      7       7.2560      0.00009
      8      10.3485      0.00000
      9      11.2280      0.00000
     10      12.2116      0.00000
     11      13.0125      0.00000
     12      13.9501      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2131      2.00000
      2       1.0101      2.00000
      3       2.2958      2.00000
      4       3.5077      2.00000
      5       4.5844      2.00000
      6       5.9181      1.93477
      7       7.2067      0.00015
      8       9.7514      0.00000
      9      11.6141      0.00000
     10      12.7704      0.00000
     11      13.6205      0.00000
     12      14.2428      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8172      2.00000
      2       0.4448      2.00000
      3       2.6375      2.00000
      4       3.7131      2.00000
      5       4.0839      2.00000
      6       5.5490      1.99832
      7       7.3388      0.00004
      8       9.3725      0.00000
      9      11.9777      0.00000
     10      12.8725      0.00000
     11      13.3014      0.00000
     12      14.9031      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0147      2.00000
      2       0.3196      2.00000
      3       2.8112      2.00000
      4       5.0234      1.99999
      5       5.9598      1.90266
      6       7.8139      0.00000
      7       8.1070      0.00000
      8       9.7734      0.00000
      9      10.5938      0.00000
     10      11.1171      0.00000
     11      12.1670      0.00000
     12      12.9274      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       0.3658      2.00000
      3       2.8546      2.00000
      4       4.9218      2.00000
      5       5.4900      1.99907
      6       7.5320      0.00001
      7       8.5282      0.00000
      8       9.9330      0.00000
      9      10.3458      0.00000
     10      11.2547      0.00000
     11      12.3487      0.00000
     12      12.8042      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8113      2.00000
      2       0.5027      2.00000
      3       2.9782      2.00000
      4       4.1994      2.00000
      5       5.2614      1.99991
      6       6.6677      0.03240
      7       8.9732      0.00000
      8       9.7802      0.00000
      9      10.8973      0.00000
     10      11.3905      0.00000
     11      12.0368      0.00000
     12      13.5785      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5595      2.00000
      2       0.7243      2.00000
      3       3.0419      2.00000
      4       3.3931      2.00000
      5       5.1077      1.99998
      6       6.0277      1.81662
      7       8.0349      0.00000
      8      10.4510      0.00000
      9      11.0982      0.00000
     10      11.5106      0.00000
     11      12.9371      0.00000
     12      13.9334      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2134      2.00000
      2       1.0094      2.00000
      3       2.2967      2.00000
      4       3.5072      2.00000
      5       4.5849      2.00000
      6       5.9185      1.93447
      7       7.2065      0.00015
      8       9.7521      0.00000
      9      11.6140      0.00000
     10      12.7760      0.00000
     11      13.6225      0.00000
     12      14.2362      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7892      2.00000
      2       1.1855      2.00000
      3       1.6794      2.00000
      4       3.5573      2.00000
      5       4.2321      2.00000
      6       5.9062      1.94187
      7       6.6354      0.04447
      8       9.1743      0.00000
      9      12.0183      0.00000
     10      13.6288      0.00000
     11      14.2005      0.00000
     12      14.3546      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3666      2.00000
      2       0.7647      2.00000
      3       1.7955      2.00000
      4       3.2305      2.00000
      5       4.4132      2.00000
      6       5.6380      1.99591
      7       6.5259      0.12734
      8       8.8328      0.00000
      9      12.3990      0.00000
     10      13.3716      0.00000
     11      14.3276      0.00000
     12      14.8135      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6477      2.00000
      2      -0.2341      2.00000
      3       3.1442      2.00000
      4       4.5138      2.00000
      5       6.3822      0.44476
      6       7.4860      0.00001
      7       8.0618      0.00000
      8       9.4711      0.00000
      9      10.9535      0.00000
     10      11.2465      0.00000
     11      12.3666      0.00000
     12      12.4813      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5953      2.00000
      2      -0.1894      2.00000
      3       3.1934      2.00000
      4       4.5144      2.00000
      5       5.7250      1.99026
      6       7.0024      0.00116
      7       8.8277      0.00000
      8       9.9999      0.00000
      9      10.3153      0.00000
     10      11.2875      0.00000
     11      11.8125      0.00000
     12      13.0871      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4385      2.00000
      2      -0.0566      2.00000
      3       3.3395      2.00000
      4       4.4073      2.00000
      5       4.7678      2.00000
      6       6.2255      1.15637
      7       9.2549      0.00000
      8      10.1391      0.00000
      9      10.8147      0.00000
     10      11.1138      0.00000
     11      11.5727      0.00000
     12      13.5026      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1784      2.00000
      2       0.1590      2.00000
      3       3.5583      2.00000
      4       3.5895      2.00000
      5       4.3936      2.00000
      6       5.6743      1.99413
      7       8.2577      0.00000
      8      10.0665      0.00000
      9      11.6033      0.00000
     10      11.6335      0.00000
     11      12.2902      0.00000
     12      14.0143      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8181      2.00000
      2       0.4447      2.00000
      3       2.6379      2.00000
      4       3.7127      2.00000
      5       4.0845      2.00000
      6       5.5502      1.99830
      7       7.3381      0.00004
      8       9.3739      0.00000
      9      11.9763      0.00000
     10      12.8767      0.00000
     11      13.3070      0.00000
     12      14.9077      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3672      2.00000
      2       0.7650      2.00000
      3       1.7954      2.00000
      4       3.2310      2.00000
      5       4.4125      2.00000
      6       5.6395      1.99585
      7       6.5249      0.12850
      8       8.8333      0.00000
      9      12.3980      0.00000
     10      13.3746      0.00000
     11      14.3255      0.00000
     12      14.8189      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1178      2.00000
      2       0.9751      2.00000
      3       1.1623      2.00000
      4       2.8317      2.00000
      5       4.8510      2.00000
      6       5.7048      1.99204
      7       5.9164      1.93581
      8       8.5253      0.00000
      9      12.8458      0.00000
     10      13.5708      0.00000
     11      13.7763      0.00000
     12      15.8091      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0759      2.00000
      2       1.1343      2.00000
      3       1.7977      2.00000
      4       4.9112      2.00000
      5       5.8799      1.95502
      6       7.8040      0.00000
      7       9.1203      0.00000
      8       9.3981      0.00000
      9      10.4746      0.00000
     10      11.3206      0.00000
     11      11.9531      0.00000
     12      12.7770      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       1.1865      2.00000
      3       1.8352      2.00000
      4       4.8113      2.00000
      5       5.4361      1.99946
      6       8.4028      0.00000
      7       8.4352      0.00000
      8       8.9575      0.00000
      9      11.1901      0.00000
     10      11.8098      0.00000
     11      12.0719      0.00000
     12      12.1200      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8743      2.00000
      2       1.3430      2.00000
      3       1.9417      2.00000
      4       4.1213      2.00000
      5       5.2382      1.99992
      6       7.3402      0.00004
      7       8.0509      0.00000
      8       9.7376      0.00000
      9      11.2792      0.00000
     10      11.8809      0.00000
     11      12.5414      0.00000
     12      12.7949      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6250      2.00000
      2       1.6029      2.00000
      3       2.0812      2.00000
      4       3.2294      2.00000
      5       5.3101      1.99985
      6       6.3082      0.74989
      7       7.2571      0.00009
      8      10.3497      0.00000
      9      11.2344      0.00000
     10      12.2069      0.00000
     11      13.0095      0.00000
     12      13.9542      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2831      2.00000
      2       1.9645      2.00000
      3       1.9659      2.00000
      4       2.6957      2.00000
      5       5.3554      1.99976
      6       5.3564      1.99975
      7       6.6485      0.03912
      8       9.6516      0.00000
      9      12.5600      0.00000
     10      12.5670      0.00000
     11      13.5057      0.00000
     12      14.7054      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8660      2.00000
      2       1.3216      2.00000
      3       2.4225      2.00000
      4       2.8153      2.00000
      5       4.5015      2.00000
      6       5.1995      1.99995
      7       6.4034      0.37583
      8       9.0742      0.00000
      9      12.9860      0.00000
     10      13.3073      0.00000
     11      14.6432      0.00000
     12      14.6788      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4579      2.00000
      2       0.7468      2.00000
      3       2.9405      2.00000
      4       2.9963      2.00000
      5       3.7827      2.00000
      6       4.9655      2.00000
      7       6.4156      0.34007
      8       8.7346      0.00000
      9      13.4625      0.00000
     10      13.5738      0.00000
     11      14.1415      0.00000
     12      15.4894      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6700      2.00000
      2       0.5795      2.00000
      3       1.9133      2.00000
      4       4.2058      2.00000
      5       6.2943      0.81566
      6       8.1295      0.00000
      7       8.4311      0.00000
      8       9.6667      0.00000
      9      10.1370      0.00000
     10      11.5195      0.00000
     11      11.9936      0.00000
     12      12.4914      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6189      2.00000
      2       0.6281      2.00000
      3       1.9578      2.00000
      4       4.2132      2.00000
      5       5.7039      1.99211
      6       7.8242      0.00000
      7       8.8264      0.00000
      8       9.0870      0.00000
      9      10.8257      0.00000
     10      11.4683      0.00000
     11      12.1851      0.00000
     12      12.6100      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4662      2.00000
      2       0.7728      2.00000
      3       2.0891      2.00000
      4       4.1383      2.00000
      5       4.8464      2.00000
      6       6.8552      0.00504
      7       8.1236      0.00000
      8      10.0443      0.00000
      9      10.6882      0.00000
     10      12.0044      0.00000
     11      12.8452      0.00000
     12      13.3167      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.0090      2.00000
      3       2.2948      2.00000
      4       3.5092      2.00000
      5       4.5841      2.00000
      6       5.9202      1.93342
      7       7.2072      0.00015
      8       9.7529      0.00000
      9      11.6212      0.00000
     10      12.7698      0.00000
     11      13.6255      0.00000
     12      14.2369      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8664      2.00000
      2       1.3209      2.00000
      3       2.4226      2.00000
      4       2.8155      2.00000
      5       4.5018      2.00000
      6       5.2001      1.99995
      7       6.4035      0.37564
      8       9.0749      0.00000
      9      12.9912      0.00000
     10      13.3073      0.00000
     11      14.6471      0.00000
     12      14.6715      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4391      2.00000
      2       1.5479      2.00000
      3       1.9396      2.00000
      4       2.9878      2.00000
      5       4.0280      2.00000
      6       4.9511      2.00000
      7       5.8206      1.97487
      8       8.5481      0.00000
      9      13.5357      0.00000
     10      14.5140      0.00000
     11      15.1225      0.00000
     12      15.2209      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0081      2.00000
      2       1.0934      2.00000
      3       2.1386      2.00000
      4       3.2181      2.00000
      5       3.5678      2.00000
      6       4.7723      2.00000
      7       5.6004      1.99719
      8       8.2516      0.00000
      9      13.9402      0.00000
     10      14.7561      0.00000
     11      15.1589      0.00000
     12      15.7478      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0332      2.00000
      3       2.1897      2.00000
      4       3.7186      2.00000
      5       6.7165      0.02001
      6       7.8150      0.00000
      7       8.4146      0.00000
      8       9.7718      0.00000
      9      10.0268      0.00000
     10      11.4261      0.00000
     11      11.6724      0.00000
     12      12.7822      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2343      2.00000
      2       0.0798      2.00000
      3       2.2398      2.00000
      4       3.7361      2.00000
      5       6.0567      1.76242
      6       7.2842      0.00007
      7       9.1638      0.00000
      8       9.3734      0.00000
      9      10.3152      0.00000
     10      11.0895      0.00000
     11      12.4074      0.00000
     12      12.8516      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0779      2.00000
      2       0.2183      2.00000
      3       2.3895      2.00000
      4       3.7749      2.00000
      5       5.0154      1.99999
      6       6.3893      0.42089
      7       8.3417      0.00000
      8      10.0619      0.00000
      9      10.5486      0.00000
     10      11.6833      0.00000
     11      13.0052      0.00000
     12      13.6674      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8184      2.00000
      2       0.4443      2.00000
      3       2.6356      2.00000
      4       3.7130      2.00000
      5       4.0860      2.00000
      6       5.5516      1.99827
      7       7.3388      0.00004
      8       9.3746      0.00000
      9      11.9842      0.00000
     10      12.8786      0.00000
     11      13.3002      0.00000
     12      14.9040      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4589      2.00000
      2       0.7467      2.00000
      3       2.9406      2.00000
      4       2.9947      2.00000
      5       3.7847      2.00000
      6       4.9665      2.00000
      7       6.4154      0.34062
      8       8.7358      0.00000
      9      13.4664      0.00000
     10      13.5744      0.00000
     11      14.1476      0.00000
     12      15.4931      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0087      2.00000
      2       1.0938      2.00000
      3       2.1383      2.00000
      4       3.2175      2.00000
      5       3.5686      2.00000
      6       4.7732      2.00000
      7       5.5999      1.99720
      8       8.2521      0.00000
      9      13.9389      0.00000
     10      14.7605      0.00000
     11      15.1641      0.00000
     12      15.7455      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4769      2.00000
      2       1.3379      2.00000
      3       1.5087      2.00000
      4       2.9334      2.00000
      5       3.9091      2.00000
      6       4.7480      2.00000
      7       4.9837      1.99999
      8       7.9860      0.00000
      9      14.3853      0.00000
     10      15.0527      0.00000
     11      15.2605      0.00000
     12      16.3979      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2489      2.00000
      2       0.7141      2.00000
      3       1.2944      2.00000
      4       3.5175      2.00000
      5       6.7093      0.02149
      6       8.5056      0.00000
      7       8.7272      0.00000
      8       8.9525      0.00000
      9      10.1893      0.00000
     10      11.0432      0.00000
     11      11.1932      0.00000
     12      13.5224      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1976      2.00000
      2       0.7665      2.00000
      3       1.3387      2.00000
      4       3.5385      2.00000
      5       6.0872      1.69077
      6       8.0167      0.00000
      7       8.4394      0.00000
      8       9.2197      0.00000
      9      10.6990      0.00000
     10      10.9820      0.00000
     11      11.7595      0.00000
     12      13.9471      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0440      2.00000
      2       0.9234      2.00000
      3       1.4693      2.00000
      4       3.5889      2.00000
      5       5.0902      1.99998
      6       6.9449      0.00206
      7       7.5423      0.00001
      8       9.8522      0.00000
      9      10.6322      0.00000
     10      12.2807      0.00000
     11      12.9102      0.00000
     12      14.0708      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7899      2.00000
      2       1.1842      2.00000
      3       1.6784      2.00000
      4       3.5575      2.00000
      5       4.2334      2.00000
      6       5.9079      1.94092
      7       6.6367      0.04389
      8       9.1755      0.00000
      9      12.0256      0.00000
     10      13.6338      0.00000
     11      14.2054      0.00000
     12      14.3501      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4395      2.00000
      2       1.5468      2.00000
      3       1.9391      2.00000
      4       2.9891      2.00000
      5       4.0276      2.00000
      6       4.9522      2.00000
      7       5.8213      1.97472
      8       8.5487      0.00000
      9      13.5435      0.00000
     10      14.5100      0.00000
     11      15.1260      0.00000
     12      15.2180      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0058      2.00000
      2       2.0055      2.00000
      3       2.0065      2.00000
      4       2.4581      2.00000
      5       4.0941      2.00000
      6       4.0948      2.00000
      7       5.1641      1.99996
      8       8.0776      0.00000
      9      14.9588      0.00000
     10      14.9660      0.00000
     11      15.8101      0.00000
     12      15.9440      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4415      2.00000
      2       1.4843      2.00000
      3       2.5239      2.00000
      4       2.5931      2.00000
      5       3.3751      2.00000
      6       4.1209      2.00000
      7       4.7848      2.00000
      8       7.8208      0.00000
      9      15.4042      0.00000
     10      15.6078      0.00000
     11      15.9875      0.00000
     12      16.8419      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8349      2.00000
      2       0.3250      2.00000
      3       1.3416      2.00000
      4       3.0672      2.00000
      5       7.1338      0.00031
      6       8.2075      0.00000
      7       8.8526      0.00000
      8       9.2149      0.00000
      9       9.9526      0.00000
     10      10.6239      0.00000
     11      10.9022      0.00000
     12      13.4438      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7828      2.00000
      2       0.3744      2.00000
      3       1.3922      2.00000
      4       3.0888      2.00000
      5       6.4771      0.19943
      6       7.6049      0.00000
      7       8.5595      0.00000
      8       9.5862      0.00000
      9      10.1519      0.00000
     10      10.7974      0.00000
     11      11.6530      0.00000
     12      13.8612      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6267      2.00000
      2       0.5218      2.00000
      3       1.5436      2.00000
      4       3.1493      2.00000
      5       5.4315      1.99948
      6       6.6130      0.05534
      7       7.5326      0.00001
      8       9.4995      0.00000
      9      10.9453      0.00000
     10      12.0020      0.00000
     11      12.9291      0.00000
     12      14.5525      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3678      2.00000
      2       0.7642      2.00000
      3       1.7936      2.00000
      4       3.2305      2.00000
      5       4.4148      2.00000
      6       5.6411      1.99578
      7       6.5261      0.12705
      8       8.8345      0.00000
      9      12.4056      0.00000
     10      13.3806      0.00000
     11      14.3316      0.00000
     12      14.8093      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0091      2.00000
      2       1.0933      2.00000
      3       2.1369      2.00000
      4       3.2179      2.00000
      5       3.5697      2.00000
      6       4.7740      2.00000
      7       5.6005      1.99719
      8       8.2526      0.00000
      9      13.9473      0.00000
     10      14.7649      0.00000
     11      15.1559      0.00000
     12      15.7516      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4408      2.00000
      2       1.4848      2.00000
      3       2.5236      2.00000
      4       2.5919      2.00000
      5       3.3769      2.00000
      6       4.1210      2.00000
      7       4.7848      2.00000
      8       7.8211      0.00000
      9      15.4085      0.00000
     10      15.6072      0.00000
     11      15.9931      0.00000
     12      16.8446      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9285      2.00000
      2       1.7970      2.00000
      3       1.9328      2.00000
      4       2.9387      2.00000
      5       3.1602      2.00000
      6       3.8898      2.00000
      7       4.1582      2.00000
      8       7.5890      0.00000
      9      15.9365      0.00000
     10      16.4655      0.00000
     11      16.7183      0.00000
     12      16.8067      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3502      2.00000
      2       0.5031      2.00000
      3       0.7051      2.00000
      4       2.6609      2.00000
      5       7.5723      0.00000
      6       8.5305      0.00000
      7       8.6144      0.00000
      8       9.3234      0.00000
      9      10.0129      0.00000
     10      10.0600      0.00000
     11      10.2909      0.00000
     12      13.3390      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2981      2.00000
      2       0.5556      2.00000
      3       0.7561      2.00000
      4       2.6818      2.00000
      5       6.9221      0.00258
      6       7.8199      0.00000
      7       7.9660      0.00000
      8       9.7198      0.00000
      9      10.0929      0.00000
     10      10.8110      0.00000
     11      11.0614      0.00000
     12      13.7223      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1421      2.00000
      2       0.7128      2.00000
      3       0.9088      2.00000
      4       2.7417      2.00000
      5       5.8777      1.95595
      6       6.7457      0.01498
      7       6.9319      0.00234
      8       9.1473      0.00000
      9      11.3906      0.00000
     10      12.1352      0.00000
     11      12.3543      0.00000
     12      14.6395      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1168      2.00000
      2       0.9739      2.00000
      3       1.1610      2.00000
      4       2.8317      2.00000
      5       4.8529      2.00000
      6       5.7066      1.99190
      7       5.9180      1.93480
      8       8.5268      0.00000
      9      12.8530      0.00000
     10      13.5775      0.00000
     11      13.7830      0.00000
     12      15.8153      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4760      2.00000
      2       1.3369      2.00000
      3       1.5078      2.00000
      4       2.9336      2.00000
      5       3.9104      2.00000
      6       4.7492      2.00000
      7       4.9847      1.99999
      8       7.9869      0.00000
      9      14.3933      0.00000
     10      15.0599      0.00000
     11      15.2677      0.00000
     12      16.3914      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9281      2.00000
      2       1.7963      2.00000
      3       1.9322      2.00000
      4       2.9392      2.00000
      5       3.1607      2.00000
      6       3.8903      2.00000
      7       4.1586      2.00000
      8       7.5893      0.00000
      9      15.9447      0.00000
     10      16.4718      0.00000
     11      16.7253      0.00000
     12      16.8006      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4251      2.00000
      2       2.3137      2.00000
      3       2.3145      2.00000
      4       2.3716      2.00000
      5       3.1703      2.00000
      6       3.1726      2.00000
      7       3.4990      2.00000
      8       7.3771      0.00003
      9      17.2571      0.00000
     10      17.2636      0.00000
     11      17.4555      0.00000
     12      17.9450      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6402      2.00000
      3       4.3788      2.00000
      4       4.3815      2.00000
      5       5.6036      1.99710
      6       6.1542      1.47339
      7       7.8004      0.00000
      8      11.5720      0.00000
      9      11.5751      0.00000
     10      12.1682      0.00000
     11      12.8547      0.00000
     12      12.9959      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5257      2.00000
      2       3.5647      2.00000
      3       3.8389      2.00000
      4       4.4279      2.00000
      5       5.9306      1.92637
      6       6.5068      0.15214
      7       7.9538      0.00000
      8      10.8380      0.00000
      9      11.4725      0.00000
     10      11.8609      0.00000
     11      12.3590      0.00000
     12      12.8468      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3785      2.00000
      2       2.6480      2.00000
      3       3.8801      2.00000
      4       4.5746      2.00000
      5       6.1418      1.52006
      6       7.1334      0.00031
      7       8.6230      0.00000
      8       9.8293      0.00000
      9      10.5003      0.00000
     10      11.7900      0.00000
     11      11.8427      0.00000
     12      12.8788      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1364      2.00000
      2       1.6630      2.00000
      3       4.1146      2.00000
      4       4.8178      2.00000
      5       6.3861      0.43167
      6       7.4359      0.00002
      7       8.8234      0.00000
      8       9.4696      0.00000
      9       9.9070      0.00000
     10      10.9703      0.00000
     11      12.0608      0.00000
     12      12.5121      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8078      2.00000
      2       0.7610      2.00000
      3       4.4440      2.00000
      4       5.1538      1.99997
      5       6.6753      0.03006
      6       7.5841      0.00000
      7       8.0346      0.00000
      8       8.5372      0.00000
      9      10.1167      0.00000
     10      11.3467      0.00000
     11      12.1105      0.00000
     12      12.3896      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4173      2.00000
      2      -0.0164      2.00000
      3       4.8487      2.00000
      4       5.5699      1.99793
      5       6.7495      0.01443
      6       7.4434      0.00001
      7       7.7217      0.00000
      8       7.8882      0.00000
      9       9.3414      0.00000
     10      11.6142      0.00000
     11      12.7641      0.00000
     12      13.0929      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0644      2.00000
      2      -0.5637      2.00000
      3       5.2501      1.99992
      4       5.9944      1.86505
      5       6.3347      0.63002
      6       7.0939      0.00046
      7       7.6150      0.00000
      8       8.1148      0.00000
      9       8.6717      0.00000
     10      11.4416      0.00000
     11      13.1072      0.00000
     12      14.1379      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4281      2.00000
      2       2.6118      2.00000
      3       4.5255      2.00000
      4       4.5283      2.00000
      5       5.7619      1.98596
      6       6.7600      0.01300
      7       8.5690      0.00000
      8      10.4559      0.00000
      9      10.4582      0.00000
     10      11.4050      0.00000
     11      12.8117      0.00000
     12      12.9979      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6445      2.00000
      3       3.8842      2.00000
      4       4.5745      2.00000
      5       6.1433      1.51434
      6       7.1355      0.00031
      7       8.6183      0.00000
      8       9.8297      0.00000
      9      10.4967      0.00000
     10      11.7889      0.00000
     11      11.8465      0.00000
     12      12.8828      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2310      2.00000
      2       2.5822      2.00000
      3       3.0714      2.00000
      4       4.7212      2.00000
      5       6.4058      0.36870
      6       8.0494      0.00000
      7       8.6524      0.00000
      8       9.1593      0.00000
      9      10.4941      0.00000
     10      10.8475      0.00000
     11      11.8464      0.00000
     12      12.6304      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9882      2.00000
      2       1.7728      2.00000
      3       3.1260      2.00000
      4       4.9642      2.00000
      5       6.5647      0.08816
      6       7.9152      0.00000
      7       8.5953      0.00000
      8       9.6063      0.00000
      9      10.0336      0.00000
     10      10.9276      0.00000
     11      11.3344      0.00000
     12      12.6361      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6583      2.00000
      2       0.8879      2.00000
      3       3.4292      2.00000
      4       5.3000      1.99986
      5       6.4561      0.24032
      6       7.4646      0.00001
      7       8.6803      0.00000
      8       8.8193      0.00000
      9      10.6485      0.00000
     10      11.2434      0.00000
     11      11.4999      0.00000
     12      12.5287      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2651      2.00000
      2       0.1132      2.00000
      3       3.8139      2.00000
      4       5.7158      1.99112
      5       5.9132      1.93778
      6       7.5745      0.00000
      7       7.8685      0.00000
      8       8.9539      0.00000
      9      10.1158      0.00000
     10      11.6253      0.00000
     11      12.2102      0.00000
     12      12.8456      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9071      2.00000
      2      -0.4374      2.00000
      3       4.1832      2.00000
      4       5.4021      1.99961
      5       6.1398      1.52721
      6       7.2406      0.00011
      7       7.7978      0.00000
      8       8.9568      0.00000
      9       9.8249      0.00000
     10      11.9605      0.00000
     11      12.0047      0.00000
     12      13.3838      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6187      2.00000
      3       4.7685      2.00000
      4       4.7714      2.00000
      5       6.0246      1.82175
      6       7.0453      0.00075
      7       9.4192      0.00000
      8       9.4223      0.00000
      9       9.8389      0.00000
     10      10.5252      0.00000
     11      12.3295      0.00000
     12      13.2315      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6600      2.00000
      3       4.1187      2.00000
      4       4.8175      2.00000
      5       6.3875      0.42680
      6       7.4397      0.00001
      7       8.8242      0.00000
      8       9.4666      0.00000
      9       9.8996      0.00000
     10      10.9700      0.00000
     11      12.0649      0.00000
     12      12.5141      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9884      2.00000
      2       1.7701      2.00000
      3       3.1292      2.00000
      4       4.9641      2.00000
      5       6.5649      0.08803
      6       7.9164      0.00000
      7       8.5997      0.00000
      8       9.6035      0.00000
      9      10.0270      0.00000
     10      10.9309      0.00000
     11      11.3336      0.00000
     12      12.6391      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7443      2.00000
      2       1.7611      2.00000
      3       2.3762      2.00000
      4       5.2069      1.99995
      5       6.3573      0.53700
      6       7.4602      0.00001
      7       9.7086      0.00000
      8       9.7395      0.00000
      9      10.0232      0.00000
     10      10.3542      0.00000
     11      11.2967      0.00000
     12      12.4435      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4118      2.00000
      2       1.0765      2.00000
      3       2.4677      2.00000
      4       5.5423      1.99843
      5       5.7118      1.99146
      6       7.5395      0.00001
      7       8.9134      0.00000
      8      10.0090      0.00000
      9      10.2090      0.00000
     10      11.0957      0.00000
     11      11.4335      0.00000
     12      12.6262      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0137      2.00000
      2       0.3211      2.00000
      3       2.8124      2.00000
      4       5.0235      1.99999
      5       5.9578      1.90445
      6       7.8058      0.00000
      7       8.1073      0.00000
      8       9.7680      0.00000
      9      10.5926      0.00000
     10      11.1183      0.00000
     11      12.1642      0.00000
     12      12.9216      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6462      2.00000
      2      -0.2332      2.00000
      3       3.1462      2.00000
      4       4.5131      2.00000
      5       6.3809      0.44926
      6       7.4821      0.00001
      7       8.0582      0.00000
      8       9.4637      0.00000
      9      10.9527      0.00000
     10      11.2490      0.00000
     11      12.3589      0.00000
     12      12.4829      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8586      2.00000
      2       0.7150      2.00000
      3       5.1042      1.99998
      4       5.1075      1.99998
      5       6.3900      0.41852
      6       7.2201      0.00013
      7       8.4865      0.00000
      8       8.4877      0.00000
      9       9.6529      0.00000
     10      11.2270      0.00000
     11      12.0123      0.00000
     12      13.5413      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8085      2.00000
      2       0.7586      2.00000
      3       4.4478      2.00000
      4       5.1532      1.99997
      5       6.6762      0.02980
      6       7.5886      0.00000
      7       8.0358      0.00000
      8       8.5348      0.00000
      9      10.1173      0.00000
     10      11.3389      0.00000
     11      12.1117      0.00000
     12      12.3933      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6588      2.00000
      2       0.8857      2.00000
      3       3.4323      2.00000
      4       5.2996      1.99986
      5       6.4568      0.23888
      6       7.4651      0.00001
      7       8.6781      0.00000
      8       8.8244      0.00000
      9      10.6481      0.00000
     10      11.2466      0.00000
     11      11.4927      0.00000
     12      12.5324      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0747      2.00000
      3       2.4699      2.00000
      4       5.5420      1.99843
      5       5.7124      1.99142
      6       7.5394      0.00001
      7       8.9113      0.00000
      8      10.0127      0.00000
      9      10.2114      0.00000
     10      11.0980      0.00000
     11      11.4287      0.00000
     12      12.6249      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0753      2.00000
      2       1.1356      2.00000
      3       1.7991      2.00000
      4       4.9121      2.00000
      5       5.8773      1.95613
      6       7.7971      0.00000
      7       9.1194      0.00000
      8       9.3953      0.00000
      9      10.4731      0.00000
     10      11.3165      0.00000
     11      11.9582      0.00000
     12      12.7251      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6689      2.00000
      2       0.5809      2.00000
      3       1.9145      2.00000
      4       4.2061      2.00000
      5       6.2922      0.82625
      6       8.1223      0.00000
      7       8.4303      0.00000
      8       9.6634      0.00000
      9      10.1341      0.00000
     10      11.5118      0.00000
     11      11.9934      0.00000
     12      12.4953      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2850      2.00000
      2       0.0340      2.00000
      3       2.1915      2.00000
      4       3.7182      2.00000
      5       6.7151      0.02030
      6       7.8110      0.00000
      7       8.4109      0.00000
      8       9.7625      0.00000
      9      10.0276      0.00000
     10      11.4210      0.00000
     11      11.6716      0.00000
     12      12.7867      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4693      2.00000
      2      -0.0620      2.00000
      3       5.5200      1.99874
      4       5.5239      1.99869
      5       6.8545      0.00507
      6       7.3448      0.00004
      7       7.6712      0.00000
      8       7.6726      0.00000
      9       8.8358      0.00000
     10      11.4241      0.00000
     11      13.1300      0.00000
     12      13.8896      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0181      2.00000
      3       4.8522      2.00000
      4       5.5690      1.99795
      5       6.7509      0.01423
      6       7.4450      0.00001
      7       7.7200      0.00000
      8       7.8916      0.00000
      9       9.3433      0.00000
     10      11.6157      0.00000
     11      12.7674      0.00000
     12      13.0848      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2659      2.00000
      2       0.1117      2.00000
      3       3.8167      2.00000
      4       5.7149      1.99119
      5       5.9148      1.93679
      6       7.5740      0.00000
      7       7.8669      0.00000
      8       8.9579      0.00000
      9      10.1184      0.00000
     10      11.6280      0.00000
     11      12.2140      0.00000
     12      12.8420      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3197      2.00000
      3       2.8145      2.00000
      4       5.0246      1.99999
      5       5.9572      1.90502
      6       7.8052      0.00000
      7       8.1059      0.00000
      8       9.7692      0.00000
      9      10.5946      0.00000
     10      11.1240      0.00000
     11      12.1654      0.00000
     12      12.9230      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5799      2.00000
      3       1.9158      2.00000
      4       4.2067      2.00000
      5       6.2918      0.82803
      6       8.1218      0.00000
      7       8.4292      0.00000
      8       9.6647      0.00000
      9      10.1340      0.00000
     10      11.5127      0.00000
     11      11.9941      0.00000
     12      12.5023      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2478      2.00000
      2       0.7153      2.00000
      3       1.2958      2.00000
      4       3.5180      2.00000
      5       6.7067      0.02206
      6       8.4993      0.00000
      7       8.7263      0.00000
      8       8.9497      0.00000
      9      10.1867      0.00000
     10      11.0208      0.00000
     11      11.2071      0.00000
     12      13.5199      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8332      2.00000
      2       0.3258      2.00000
      3       1.3432      2.00000
      4       3.0670      2.00000
      5       7.1319      0.00032
      6       8.2034      0.00000
      7       8.8489      0.00000
      8       9.2141      0.00000
      9       9.9454      0.00000
     10      10.6187      0.00000
     11      10.9011      0.00000
     12      13.4383      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1185      2.00000
      2      -0.6075      2.00000
      3       5.9441      1.91617
      4       5.9494      1.91179
      5       7.0419      0.00078
      6       7.0453      0.00075
      7       7.4105      0.00002
      8       7.4191      0.00002
      9       8.1031      0.00000
     10      11.2714      0.00000
     11      14.1663      0.00000
     12      14.5265      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5648      2.00000
      3       5.2532      1.99991
      4       5.9930      1.86685
      5       6.3375      0.61809
      6       7.0928      0.00047
      7       7.6138      0.00000
      8       8.1187      0.00000
      9       8.6753      0.00000
     10      11.4437      0.00000
     11      13.1100      0.00000
     12      14.1400      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9085      2.00000
      2      -0.4384      2.00000
      3       4.1857      2.00000
      4       5.4044      1.99960
      5       6.1385      1.53202
      6       7.2396      0.00011
      7       7.7964      0.00000
      8       8.9589      0.00000
      9       9.8305      0.00000
     10      11.9635      0.00000
     11      12.0077      0.00000
     12      13.4110      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6474      2.00000
      2      -0.2340      2.00000
      3       3.1480      2.00000
      4       4.5148      2.00000
      5       6.3798      0.45332
      6       7.4813      0.00001
      7       8.0570      0.00000
      8       9.4644      0.00000
      9      10.9542      0.00000
     10      11.2558      0.00000
     11      12.3610      0.00000
     12      12.4851      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2860      2.00000
      2       0.0335      2.00000
      3       2.1926      2.00000
      4       3.7192      2.00000
      5       6.7141      0.02049
      6       7.8105      0.00000
      7       8.4099      0.00000
      8       9.7628      0.00000
      9      10.0285      0.00000
     10      11.4224      0.00000
     11      11.6726      0.00000
     12      12.7943      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8337      2.00000
      2       0.3256      2.00000
      3       1.3437      2.00000
      4       3.0675      2.00000
      5       7.1314      0.00032
      6       8.2033      0.00000
      7       8.8483      0.00000
      8       9.2144      0.00000
      9       9.9456      0.00000
     10      10.6194      0.00000
     11      10.9015      0.00000
     12      13.4391      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3483      2.00000
      2       0.5043      2.00000
      3       0.7060      2.00000
      4       2.6609      2.00000
      5       7.5695      0.00000
      6       8.5298      0.00000
      7       8.6110      0.00000
      8       9.3199      0.00000
      9      10.0101      0.00000
     10      10.0509      0.00000
     11      10.2892      0.00000
     12      13.3324      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6443      2.00000
      3       3.8813      2.00000
      4       4.5772      2.00000
      5       6.1483      1.49601
      6       7.1309      0.00032
      7       8.6180      0.00000
      8       9.8277      0.00000
      9      10.4989      0.00000
     10      11.7939      0.00000
     11      11.8434      0.00000
     12      12.8806      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3291      2.00000
      2       2.6803      2.00000
      3       3.7677      2.00000
      4       4.1245      2.00000
      5       6.7057      0.02226
      6       7.2990      0.00006
      7       8.6627      0.00000
      8       9.6990      0.00000
      9      10.0532      0.00000
     10      11.1948      0.00000
     11      12.2571      0.00000
     12      13.2662      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1814      2.00000
      2       2.6337      2.00000
      3       3.0701      2.00000
      4       4.1452      2.00000
      5       7.0863      0.00050
      6       8.0902      0.00000
      7       8.7014      0.00000
      8       9.0993      0.00000
      9       9.8187      0.00000
     10      10.4939      0.00000
     11      12.4832      0.00000
     12      13.1072      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9384      2.00000
      2       1.8176      2.00000
      3       3.1483      2.00000
      4       4.3612      2.00000
      5       7.1858      0.00019
      6       8.0211      0.00000
      7       8.4996      0.00000
      8       9.1911      0.00000
      9       9.9027      0.00000
     10      10.6065      0.00000
     11      11.9347      0.00000
     12      13.1327      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6081      2.00000
      2       0.9329      2.00000
      3       3.4601      2.00000
      4       4.6649      2.00000
      5       6.7381      0.01616
      6       7.8597      0.00000
      7       8.0784      0.00000
      8       9.1134      0.00000
      9      10.5291      0.00000
     10      11.1505      0.00000
     11      11.7028      0.00000
     12      12.8250      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2141      2.00000
      2       0.1580      2.00000
      3       3.8524      2.00000
      4       5.0225      1.99999
      5       6.0469      1.78213
      6       7.3009      0.00006
      7       8.2577      0.00000
      8       9.2725      0.00000
      9      10.4497      0.00000
     10      10.9436      0.00000
     11      12.3363      0.00000
     12      13.1522      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8546      2.00000
      2      -0.3939      2.00000
      3       4.2306      2.00000
      4       5.2819      1.99988
      5       5.5656      1.99802
      6       6.8029      0.00848
      7       8.5628      0.00000
      8       9.4155      0.00000
      9       9.9389      0.00000
     10      11.2852      0.00000
     11      11.9776      0.00000
     12      13.0396      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6600      2.00000
      3       4.1155      2.00000
      4       4.8204      2.00000
      5       6.3923      0.41090
      6       7.4348      0.00002
      7       8.8224      0.00000
      8       9.4693      0.00000
      9       9.8990      0.00000
     10      10.9720      0.00000
     11      12.0678      0.00000
     12      12.5053      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0871      2.00000
      2       1.7019      2.00000
      3       4.0198      2.00000
      4       4.3377      2.00000
      5       6.9479      0.00200
      6       7.5961      0.00000
      7       8.6971      0.00000
      8       9.0936      0.00000
      9       9.9690      0.00000
     10      11.3759      0.00000
     11      11.4267      0.00000
     12      12.7771      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9386      2.00000
      2       1.8149      2.00000
      3       3.1515      2.00000
      4       4.3611      2.00000
      5       7.1860      0.00018
      6       8.0223      0.00000
      7       8.5023      0.00000
      8       9.1898      0.00000
      9       9.9003      0.00000
     10      10.6058      0.00000
     11      11.9336      0.00000
     12      13.1366      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6943      2.00000
      2       1.8130      2.00000
      3       2.4042      2.00000
      4       4.5740      2.00000
      5       6.6592      0.03522
      6       7.9132      0.00000
      7       8.9563      0.00000
      8       9.4185      0.00000
      9       9.9115      0.00000
     10      10.6840      0.00000
     11      11.9759      0.00000
     12      12.8188      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       1.1240      2.00000
      3       2.5056      2.00000
      4       4.8519      2.00000
      5       5.9057      1.94215
      6       8.0911      0.00000
      7       8.3541      0.00000
      8       9.6017      0.00000
      9      10.3432      0.00000
     10      11.5414      0.00000
     11      11.7865      0.00000
     12      12.8187      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9628      2.00000
      2       0.3672      2.00000
      3       2.8558      2.00000
      4       4.9212      2.00000
      5       5.4885      1.99908
      6       7.5294      0.00001
      7       8.5229      0.00000
      8       9.9310      0.00000
      9      10.3434      0.00000
     10      11.2535      0.00000
     11      12.3456      0.00000
     12      12.8032      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5939      2.00000
      2      -0.1886      2.00000
      3       3.1954      2.00000
      4       4.5137      2.00000
      5       5.7232      1.99044
      6       6.9995      0.00119
      7       8.8234      0.00000
      8       9.9933      0.00000
      9      10.3139      0.00000
     10      11.2902      0.00000
     11      11.8076      0.00000
     12      13.0911      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8085      2.00000
      2       0.7586      2.00000
      3       4.4445      2.00000
      4       5.1563      1.99997
      5       6.6810      0.02843
      6       7.5824      0.00000
      7       8.0364      0.00000
      8       8.5360      0.00000
      9      10.1186      0.00000
     10      11.3385      0.00000
     11      12.1159      0.00000
     12      12.3853      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7583      2.00000
      2       0.8025      2.00000
      3       4.3698      2.00000
      4       4.6352      2.00000
      5       7.2183      0.00013
      6       7.6034      0.00000
      7       7.8487      0.00000
      8       8.4802      0.00000
      9      10.5652      0.00000
     10      11.3328      0.00000
     11      11.6505      0.00000
     12      12.4242      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6086      2.00000
      2       0.9306      2.00000
      3       3.4632      2.00000
      4       4.6645      2.00000
      5       6.7390      0.01601
      6       7.8587      0.00000
      7       8.0789      0.00000
      8       9.1177      0.00000
      9      10.5315      0.00000
     10      11.1494      0.00000
     11      11.6961      0.00000
     12      12.8282      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1221      2.00000
      3       2.5078      2.00000
      4       4.8517      2.00000
      5       5.9062      1.94187
      6       8.0903      0.00000
      7       8.3532      0.00000
      8       9.6038      0.00000
      9      10.3484      0.00000
     10      11.5397      0.00000
     11      11.7820      0.00000
     12      12.8196      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0248      2.00000
      2       1.1878      2.00000
      3       1.8365      2.00000
      4       4.8111      2.00000
      5       5.4345      1.99946
      6       8.4048      0.00000
      7       8.4238      0.00000
      8       8.9570      0.00000
      9      11.1893      0.00000
     10      11.8059      0.00000
     11      12.0779      0.00000
     12      12.1155      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6179      2.00000
      2       0.6295      2.00000
      3       1.9590      2.00000
      4       4.2135      2.00000
      5       5.7016      1.99229
      6       7.8215      0.00000
      7       8.8206      0.00000
      8       9.0861      0.00000
      9      10.8200      0.00000
     10      11.4651      0.00000
     11      12.1832      0.00000
     12      12.6128      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2328      2.00000
      2       0.0805      2.00000
      3       2.2416      2.00000
      4       3.7357      2.00000
      5       6.0549      1.76612
      6       7.2809      0.00007
      7       9.1595      0.00000
      8       9.3733      0.00000
      9      10.3051      0.00000
     10      11.0885      0.00000
     11      12.4046      0.00000
     12      12.8554      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0181      2.00000
      3       4.8485      2.00000
      4       5.5727      1.99787
      5       6.7514      0.01416
      6       7.4488      0.00001
      7       7.7199      0.00000
      8       7.8882      0.00000
      9       9.3436      0.00000
     10      11.6148      0.00000
     11      12.7655      0.00000
     12      13.0854      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3673      2.00000
      2       0.0260      2.00000
      3       4.8107      2.00000
      4       4.9854      1.99999
      5       6.8231      0.00694
      6       7.2132      0.00014
      7       7.8659      0.00000
      8       8.3025      0.00000
      9       9.7571      0.00000
     10      11.6900      0.00000
     11      12.0905      0.00000
     12      13.2296      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2150      2.00000
      2       0.1564      2.00000
      3       3.8553      2.00000
      4       5.0218      1.99999
      5       6.0483      1.77939
      6       7.2997      0.00006
      7       8.2575      0.00000
      8       9.2771      0.00000
      9      10.4512      0.00000
     10      10.9463      0.00000
     11      12.3392      0.00000
     12      13.1460      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9635      2.00000
      2       0.3658      2.00000
      3       2.8579      2.00000
      4       4.9219      2.00000
      5       5.4883      1.99908
      6       7.5282      0.00001
      7       8.5224      0.00000
      8       9.9327      0.00000
      9      10.3459      0.00000
     10      11.2577      0.00000
     11      12.3471      0.00000
     12      12.8038      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6183      2.00000
      2       0.6284      2.00000
      3       1.9604      2.00000
      4       4.2140      2.00000
      5       5.7013      1.99232
      6       7.8206      0.00000
      7       8.8204      0.00000
      8       9.0871      0.00000
      9      10.8197      0.00000
     10      11.4662      0.00000
     11      12.1846      0.00000
     12      12.6185      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.1965      2.00000
      2       0.7676      2.00000
      3       1.3400      2.00000
      4       3.5389      2.00000
      5       6.0845      1.69762
      6       8.0144      0.00000
      7       8.4374      0.00000
      8       9.2146      0.00000
      9      10.6951      0.00000
     10      10.9775      0.00000
     11      11.7566      0.00000
     12      13.9351      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7811      2.00000
      2       0.3752      2.00000
      3       1.3938      2.00000
      4       3.0886      2.00000
      5       6.4752      0.20280
      6       7.6011      0.00000
      7       8.5589      0.00000
      8       9.5831      0.00000
      9      10.1440      0.00000
     10      10.7948      0.00000
     11      11.6493      0.00000
     12      13.8558      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5648      2.00000
      3       5.2487      1.99992
      4       5.9980      1.86055
      5       6.3361      0.62409
      6       7.0944      0.00046
      7       7.6182      0.00000
      8       8.1167      0.00000
      9       8.6731      0.00000
     10      11.4426      0.00000
     11      13.1103      0.00000
     12      14.1413      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0134      2.00000
      2      -0.5219      2.00000
      3       5.2838      1.99988
      4       5.3041      1.99985
      5       6.1701      1.40939
      6       6.7912      0.00953
      7       8.3207      0.00000
      8       8.3833      0.00000
      9       9.0288      0.00000
     10      11.5677      0.00000
     11      12.3708      0.00000
     12      13.8878      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8560      2.00000
      2      -0.3948      2.00000
      3       4.2330      2.00000
      4       5.2827      1.99988
      5       5.5654      1.99802
      6       6.8025      0.00852
      7       8.5616      0.00000
      8       9.4184      0.00000
      9       9.9436      0.00000
     10      11.2875      0.00000
     11      11.9811      0.00000
     12      13.0419      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.5951      2.00000
      2      -0.1894      2.00000
      3       3.1972      2.00000
      4       4.5153      2.00000
      5       5.7220      1.99055
      6       6.9990      0.00120
      7       8.8222      0.00000
      8       9.9941      0.00000
      9      10.3154      0.00000
     10      11.2968      0.00000
     11      11.8103      0.00000
     12      13.0951      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2337      2.00000
      2       0.0800      2.00000
      3       2.2427      2.00000
      4       3.7368      2.00000
      5       6.0539      1.76804
      6       7.2806      0.00007
      7       9.1586      0.00000
      8       9.3742      0.00000
      9      10.3052      0.00000
     10      11.0900      0.00000
     11      12.4056      0.00000
     12      12.8629      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7816      2.00000
      2       0.3750      2.00000
      3       1.3943      2.00000
      4       3.0891      2.00000
      5       6.4747      0.20384
      6       7.6011      0.00000
      7       8.5592      0.00000
      8       9.5826      0.00000
      9      10.1442      0.00000
     10      10.7953      0.00000
     11      11.6496      0.00000
     12      13.8569      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.2962      2.00000
      2       0.5567      2.00000
      3       0.7570      2.00000
      4       2.6818      2.00000
      5       6.9197      0.00265
      6       7.8175      0.00000
      7       7.9638      0.00000
      8       9.7170      0.00000
      9      10.0882      0.00000
     10      10.8066      0.00000
     11      11.0563      0.00000
     12      13.7153      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7698      2.00000
      3       3.1264      2.00000
      4       4.9668      2.00000
      5       6.5708      0.08315
      6       7.9146      0.00000
      7       8.5937      0.00000
      8       9.6059      0.00000
      9      10.0267      0.00000
     10      10.9333      0.00000
     11      11.3348      0.00000
     12      12.6408      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8146      2.00000
      3       3.1489      2.00000
      4       4.3639      2.00000
      5       7.1902      0.00018
      6       8.0219      0.00000
      7       8.4986      0.00000
      8       9.1896      0.00000
      9       9.9007      0.00000
     10      10.6057      0.00000
     11      11.9366      0.00000
     12      13.1360      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       1.9393      2.00000
      3       3.0447      2.00000
      4       3.6102      2.00000
      5       7.6299      0.00000
      6       7.9958      0.00000
      7       8.6174      0.00000
      8       9.0838      0.00000
      9       9.3085      0.00000
     10      10.5962      0.00000
     11      12.7737      0.00000
     12      13.6556      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5452      2.00000
      2       1.9686      2.00000
      3       2.4556      2.00000
      4       3.6319      2.00000
      5       6.8641      0.00461
      6       7.9175      0.00000
      7       8.5394      0.00000
      8       9.1003      0.00000
      9      10.0716      0.00000
     10      10.9332      0.00000
     11      13.0667      0.00000
     12      13.0730      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2114      2.00000
      2       1.2640      2.00000
      3       2.6059      2.00000
      4       3.8885      2.00000
      5       6.0114      1.84213
      6       7.3192      0.00005
      7       8.6483      0.00000
      8       9.4151      0.00000
      9      10.6291      0.00000
     10      11.8689      0.00000
     11      12.3515      0.00000
     12      12.6892      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8104      2.00000
      2       0.5040      2.00000
      3       2.9792      2.00000
      4       4.1977      2.00000
      5       5.2611      1.99991
      6       6.6660      0.03295
      7       8.9722      0.00000
      8       9.7743      0.00000
      9      10.8987      0.00000
     10      11.3849      0.00000
     11      12.0349      0.00000
     12      13.5850      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4371      2.00000
      2      -0.0559      2.00000
      3       3.3415      2.00000
      4       4.4069      2.00000
      5       4.7655      2.00000
      6       6.2234      1.16653
      7       9.2547      0.00000
      8      10.1354      0.00000
      9      10.8057      0.00000
     10      11.1139      0.00000
     11      11.5720      0.00000
     12      13.5025      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6589      2.00000
      2       0.8855      2.00000
      3       3.4293      2.00000
      4       5.3026      1.99986
      5       6.4580      0.23644
      6       7.4690      0.00001
      7       8.6796      0.00000
      8       8.8186      0.00000
      9      10.6518      0.00000
     10      11.2466      0.00000
     11      11.4930      0.00000
     12      12.5267      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6087      2.00000
      2       0.9305      2.00000
      3       3.4603      2.00000
      4       4.6676      2.00000
      5       6.7380      0.01618
      6       7.8656      0.00000
      7       8.0783      0.00000
      8       9.1125      0.00000
      9      10.5324      0.00000
     10      11.1517      0.00000
     11      11.6962      0.00000
     12      12.8231      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4588      2.00000
      2       1.0623      2.00000
      3       3.4012      2.00000
      4       3.8502      2.00000
      5       6.7337      0.01687
      6       7.3072      0.00006
      7       8.9243      0.00000
      8       9.3976      0.00000
      9       9.6710      0.00000
     10      11.8296      0.00000
     11      12.0269      0.00000
     12      12.9298      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2116      2.00000
      2       1.2620      2.00000
      3       2.6081      2.00000
      4       3.8883      2.00000
      5       6.0118      1.84154
      6       7.3179      0.00005
      7       8.6502      0.00000
      8       9.4153      0.00000
      9      10.6350      0.00000
     10      11.8643      0.00000
     11      12.3486      0.00000
     12      12.6896      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8738      2.00000
      2       1.3442      2.00000
      3       1.9429      2.00000
      4       4.1193      2.00000
      5       5.2387      1.99992
      6       7.3386      0.00004
      7       8.0496      0.00000
      8       9.7312      0.00000
      9      11.2779      0.00000
     10      11.8860      0.00000
     11      12.5417      0.00000
     12      12.7920      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4653      2.00000
      2       0.7741      2.00000
      3       2.0901      2.00000
      4       4.1379      2.00000
      5       4.8450      2.00000
      6       6.8532      0.00514
      7       8.1226      0.00000
      8      10.0389      0.00000
      9      10.6849      0.00000
     10      12.0007      0.00000
     11      12.8467      0.00000
     12      13.3145      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0764      2.00000
      2       0.2189      2.00000
      3       2.3912      2.00000
      4       3.7744      2.00000
      5       5.0138      1.99999
      6       6.3866      0.42973
      7       8.3413      0.00000
      8      10.0594      0.00000
      9      10.5417      0.00000
     10      11.6777      0.00000
     11      13.0078      0.00000
     12      13.6652      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2661      2.00000
      2       0.1115      2.00000
      3       3.8134      2.00000
      4       5.7186      1.99087
      5       5.9133      1.93774
      6       7.5828      0.00000
      7       7.8654      0.00000
      8       8.9555      0.00000
      9      10.1182      0.00000
     10      11.6312      0.00000
     11      12.2042      0.00000
     12      12.8466      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2151      2.00000
      2       0.1563      2.00000
      3       3.8521      2.00000
      4       5.0251      1.99999
      5       6.0470      1.78188
      6       7.3019      0.00006
      7       8.2629      0.00000
      8       9.2724      0.00000
      9      10.4528      0.00000
     10      10.9467      0.00000
     11      12.3350      0.00000
     12      13.1467      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0628      2.00000
      2       0.2890      2.00000
      3       3.8525      2.00000
      4       4.1389      2.00000
      5       5.9001      1.94518
      6       6.6906      0.02585
      7       9.3598      0.00000
      8       9.6959      0.00000
      9       9.9414      0.00000
     10      11.2571      0.00000
     11      12.1561      0.00000
     12      12.9813      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5026      2.00000
      3       2.9813      2.00000
      4       4.1972      2.00000
      5       5.2618      1.99990
      6       6.6652      0.03320
      7       8.9740      0.00000
      8       9.7739      0.00000
      9      10.9048      0.00000
     10      11.3853      0.00000
     11      12.0366      0.00000
     12      13.5799      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7730      2.00000
      3       2.0915      2.00000
      4       4.1382      2.00000
      5       4.8448      2.00000
      6       6.8525      0.00518
      7       8.1237      0.00000
      8      10.0387      0.00000
      9      10.6853      0.00000
     10      12.0024      0.00000
     11      12.8518      0.00000
     12      13.3139      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0431      2.00000
      2       0.9245      2.00000
      3       1.4706      2.00000
      4       3.5892      2.00000
      5       5.0880      1.99998
      6       6.9430      0.00210
      7       7.5411      0.00001
      8       9.8496      0.00000
      9      10.6267      0.00000
     10      12.2762      0.00000
     11      12.9055      0.00000
     12      14.0780      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6251      2.00000
      2       0.5224      2.00000
      3       1.5451      2.00000
      4       3.1490      2.00000
      5       5.4300      1.99949
      6       6.6099      0.05701
      7       7.5320      0.00001
      8       9.4970      0.00000
      9      10.9399      0.00000
     10      11.9958      0.00000
     11      12.9252      0.00000
     12      14.5572      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4385      2.00000
      3       4.1819      2.00000
      4       5.4030      1.99961
      5       6.1433      1.51455
      6       7.2410      0.00011
      7       7.8013      0.00000
      8       8.9621      0.00000
      9       9.8246      0.00000
     10      11.9832      0.00000
     11      11.9858      0.00000
     12      13.3983      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8561      2.00000
      2      -0.3950      2.00000
      3       4.2293      2.00000
      4       5.2834      1.99988
      5       5.5679      1.99797
      6       6.8035      0.00843
      7       8.5674      0.00000
      8       9.4186      0.00000
      9       9.9396      0.00000
     10      11.2883      0.00000
     11      11.9788      0.00000
     12      13.0395      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.6989      2.00000
      2      -0.2659      2.00000
      3       4.3565      2.00000
      4       4.3762      2.00000
      5       5.1954      1.99995
      6       6.2912      0.83084
      7       9.8301      0.00000
      8       9.8874      0.00000
      9      10.2721      0.00000
     10      10.5566      0.00000
     11      11.5945      0.00000
     12      12.9186      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4383      2.00000
      2      -0.0568      2.00000
      3       3.3433      2.00000
      4       4.4075      2.00000
      5       4.7650      2.00000
      6       6.2233      1.16710
      7       9.2562      0.00000
      8      10.1344      0.00000
      9      10.8066      0.00000
     10      11.1180      0.00000
     11      11.5773      0.00000
     12      13.5065      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0773      2.00000
      2       0.2184      2.00000
      3       2.3924      2.00000
      4       3.7754      2.00000
      5       5.0128      1.99999
      6       6.3865      0.43020
      7       8.3422      0.00000
      8      10.0603      0.00000
      9      10.5408      0.00000
     10      11.6786      0.00000
     11      13.0152      0.00000
     12      13.6662      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6257      2.00000
      2       0.5223      2.00000
      3       1.5456      2.00000
      4       3.1495      2.00000
      5       5.4294      1.99949
      6       6.6100      0.05695
      7       7.5323      0.00001
      8       9.4974      0.00000
      9      10.9393      0.00000
     10      11.9963      0.00000
     11      12.9255      0.00000
     12      14.5645      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1403      2.00000
      2       0.7137      2.00000
      3       0.9096      2.00000
      4       2.7416      2.00000
      5       5.8761      1.95666
      6       6.7437      0.01528
      7       6.9300      0.00239
      8       9.1453      0.00000
      9      11.3856      0.00000
     10      12.1302      0.00000
     11      12.3488      0.00000
     12      14.6315      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4125      2.00000
      2       1.0742      2.00000
      3       2.4674      2.00000
      4       5.5450      1.99838
      5       5.7112      1.99151
      6       7.5461      0.00001
      7       8.9126      0.00000
      8      10.0104      0.00000
      9      10.2127      0.00000
     10      11.0949      0.00000
     11      11.4318      0.00000
     12      12.6291      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1217      2.00000
      3       2.5054      2.00000
      4       4.8544      2.00000
      5       5.9051      1.94249
      6       8.0970      0.00000
      7       8.3551      0.00000
      8       9.6046      0.00000
      9      10.3423      0.00000
     10      11.5416      0.00000
     11      11.7832      0.00000
     12      12.8262      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2618      2.00000
      3       2.6060      2.00000
      4       3.8907      2.00000
      5       6.0106      1.84324
      6       7.3195      0.00005
      7       8.6513      0.00000
      8       9.4212      0.00000
      9      10.6277      0.00000
     10      11.8647      0.00000
     11      12.3511      0.00000
     12      12.6908      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       1.4806      2.00000
      3       2.5871      2.00000
      4       3.1531      2.00000
      5       5.9557      1.90638
      6       6.5459      0.10543
      7       7.8209      0.00000
      8      10.6619      0.00000
      9      10.8614      0.00000
     10      11.3743      0.00000
     11      12.5421      0.00000
     12      13.5725      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6247      2.00000
      2       1.6039      2.00000
      3       2.0820      2.00000
      4       3.2277      2.00000
      5       5.3107      1.99984
      6       6.3071      0.75505
      7       7.2565      0.00009
      8      10.3484      0.00000
      9      11.2279      0.00000
     10      12.2129      0.00000
     11      13.0117      0.00000
     12      13.9510      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2130      2.00000
      2       1.0100      2.00000
      3       2.2956      2.00000
      4       3.5080      2.00000
      5       4.5838      2.00000
      6       5.9188      1.93431
      7       7.2067      0.00015
      8       9.7513      0.00000
      9      11.6144      0.00000
     10      12.7709      0.00000
     11      13.6215      0.00000
     12      14.2423      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8171      2.00000
      2       0.4447      2.00000
      3       2.6372      2.00000
      4       3.7130      2.00000
      5       4.0839      2.00000
      6       5.5498      1.99831
      7       7.3387      0.00004
      8       9.3725      0.00000
      9      11.9783      0.00000
     10      12.8731      0.00000
     11      13.3010      0.00000
     12      14.9046      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0148      2.00000
      2       0.3193      2.00000
      3       2.8117      2.00000
      4       5.0233      1.99999
      5       5.9605      1.90196
      6       7.8139      0.00000
      7       8.1047      0.00000
      8       9.7731      0.00000
      9      10.5959      0.00000
     10      11.1176      0.00000
     11      12.1683      0.00000
     12      12.9267      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9638      2.00000
      2       0.3655      2.00000
      3       2.8552      2.00000
      4       4.9218      2.00000
      5       5.4904      1.99906
      6       7.5303      0.00001
      7       8.5284      0.00000
      8       9.9346      0.00000
      9      10.3455      0.00000
     10      11.2548      0.00000
     11      12.3473      0.00000
     12      12.8051      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8113      2.00000
      2       0.5024      2.00000
      3       2.9788      2.00000
      4       4.1997      2.00000
      5       5.2612      1.99991
      6       6.6666      0.03276
      7       8.9749      0.00000
      8       9.7804      0.00000
      9      10.8986      0.00000
     10      11.3879      0.00000
     11      12.0362      0.00000
     12      13.5772      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5595      2.00000
      2       0.7239      2.00000
      3       3.0426      2.00000
      4       3.3932      2.00000
      5       5.1069      1.99998
      6       6.0273      1.81735
      7       8.0363      0.00000
      8      10.4507      0.00000
      9      11.0982      0.00000
     10      11.5110      0.00000
     11      12.9358      0.00000
     12      13.9336      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2134      2.00000
      2       1.0089      2.00000
      3       2.2970      2.00000
      4       3.5077      2.00000
      5       4.5840      2.00000
      6       5.9185      1.93453
      7       7.2077      0.00015
      8       9.7519      0.00000
      9      11.6142      0.00000
     10      12.7769      0.00000
     11      13.6222      0.00000
     12      14.2357      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7892      2.00000
      2       1.1850      2.00000
      3       1.6795      2.00000
      4       3.5572      2.00000
      5       4.2321      2.00000
      6       5.9065      1.94167
      7       6.6360      0.04424
      8       9.1743      0.00000
      9      12.0189      0.00000
     10      13.6302      0.00000
     11      14.2006      0.00000
     12      14.3557      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3664      2.00000
      2       0.7645      2.00000
      3       1.7950      2.00000
      4       3.2302      2.00000
      5       4.4137      2.00000
      6       5.6389      1.99587
      7       6.5257      0.12759
      8       8.8328      0.00000
      9      12.3999      0.00000
     10      13.3732      0.00000
     11      14.3275      0.00000
     12      14.8132      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6478      2.00000
      2      -0.2343      2.00000
      3       3.1449      2.00000
      4       4.5136      2.00000
      5       6.3844      0.43737
      6       7.4824      0.00001
      7       8.0617      0.00000
      8       9.4706      0.00000
      9      10.9565      0.00000
     10      11.2480      0.00000
     11      12.3649      0.00000
     12      12.4856      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.5954      2.00000
      2      -0.1896      2.00000
      3       3.1942      2.00000
      4       4.5142      2.00000
      5       5.7262      1.99015
      6       7.0001      0.00119
      7       8.8280      0.00000
      8       9.9994      0.00000
      9      10.3170      0.00000
     10      11.2896      0.00000
     11      11.8094      0.00000
     12      13.0900      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4385      2.00000
      2      -0.0569      2.00000
      3       3.3404      2.00000
      4       4.4080      2.00000
      5       4.7671      2.00000
      6       6.2242      1.16280
      7       9.2570      0.00000
      8      10.1411      0.00000
      9      10.8103      0.00000
     10      11.1150      0.00000
     11      11.5719      0.00000
     12      13.5018      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1784      2.00000
      2       0.1586      2.00000
      3       3.5574      2.00000
      4       3.5923      2.00000
      5       4.3919      2.00000
      6       5.6738      1.99416
      7       8.2595      0.00000
      8      10.0659      0.00000
      9      11.6025      0.00000
     10      11.6354      0.00000
     11      12.2882      0.00000
     12      14.0137      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8180      2.00000
      2       0.4442      2.00000
      3       2.6383      2.00000
      4       3.7133      2.00000
      5       4.0835      2.00000
      6       5.5499      1.99830
      7       7.3396      0.00004
      8       9.3735      0.00000
      9      11.9773      0.00000
     10      12.8757      0.00000
     11      13.3073      0.00000
     12      14.9096      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3670      2.00000
      2       0.7643      2.00000
      3       1.7955      2.00000
      4       3.2306      2.00000
      5       4.4131      2.00000
      6       5.6391      1.99587
      7       6.5260      0.12720
      8       8.8332      0.00000
      9      12.3992      0.00000
     10      13.3738      0.00000
     11      14.3279      0.00000
     12      14.8206      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1184      2.00000
      2       0.9746      2.00000
      3       1.1617      2.00000
      4       2.8314      2.00000
      5       4.8519      2.00000
      6       5.7051      1.99201
      7       5.9164      1.93580
      8       8.5254      0.00000
      9      12.8472      0.00000
     10      13.5719      0.00000
     11      13.7770      0.00000
     12      15.8059      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6700      2.00000
      2       0.5792      2.00000
      3       1.9137      2.00000
      4       4.2057      2.00000
      5       6.2949      0.81315
      6       8.1295      0.00000
      7       8.4287      0.00000
      8       9.6690      0.00000
      9      10.1364      0.00000
     10      11.5206      0.00000
     11      11.9931      0.00000
     12      12.4925      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6189      2.00000
      2       0.6278      2.00000
      3       1.9583      2.00000
      4       4.2131      2.00000
      5       5.7043      1.99208
      6       7.8224      0.00000
      7       8.8270      0.00000
      8       9.0885      0.00000
      9      10.8242      0.00000
     10      11.4687      0.00000
     11      12.1862      0.00000
     12      12.6109      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4662      2.00000
      2       0.7725      2.00000
      3       2.0896      2.00000
      4       4.1383      2.00000
      5       4.8465      2.00000
      6       6.8539      0.00510
      7       8.1251      0.00000
      8      10.0447      0.00000
      9      10.6874      0.00000
     10      12.0034      0.00000
     11      12.8457      0.00000
     12      13.3183      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.0086      2.00000
      3       2.2954      2.00000
      4       3.5094      2.00000
      5       4.5838      2.00000
      6       5.9194      1.93394
      7       7.2083      0.00015
      8       9.7527      0.00000
      9      11.6212      0.00000
     10      12.7702      0.00000
     11      13.6242      0.00000
     12      14.2369      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8664      2.00000
      2       1.3204      2.00000
      3       2.4234      2.00000
      4       2.8155      2.00000
      5       4.5012      2.00000
      6       5.2000      1.99995
      7       6.4042      0.37335
      8       9.0748      0.00000
      9      12.9903      0.00000
     10      13.3094      0.00000
     11      14.6454      0.00000
     12      14.6709      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4390      2.00000
      2       1.5473      2.00000
      3       1.9399      2.00000
      4       2.9883      2.00000
      5       4.0274      2.00000
      6       4.9515      2.00000
      7       5.8209      1.97480
      8       8.5481      0.00000
      9      13.5360      0.00000
     10      14.5154      0.00000
     11      15.1234      0.00000
     12      15.2193      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0079      2.00000
      2       1.0932      2.00000
      3       2.1381      2.00000
      4       3.2182      2.00000
      5       3.5680      2.00000
      6       4.7728      2.00000
      7       5.6003      1.99719
      8       8.2517      0.00000
      9      13.9409      0.00000
     10      14.7577      0.00000
     11      15.1585      0.00000
     12      15.7479      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0329      2.00000
      3       2.1902      2.00000
      4       3.7184      2.00000
      5       6.7184      0.01963
      6       7.8111      0.00000
      7       8.4146      0.00000
      8       9.7711      0.00000
      9      10.0302      0.00000
     10      11.4246      0.00000
     11      11.6740      0.00000
     12      12.7853      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2344      2.00000
      2       0.0795      2.00000
      3       2.2404      2.00000
      4       3.7359      2.00000
      5       6.0578      1.76005
      6       7.2815      0.00007
      7       9.1639      0.00000
      8       9.3769      0.00000
      9      10.3118      0.00000
     10      11.0899      0.00000
     11      12.4091      0.00000
     12      12.8540      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0779      2.00000
      2       0.2179      2.00000
      3       2.3901      2.00000
      4       3.7747      2.00000
      5       5.0159      1.99999
      6       6.3875      0.42687
      7       8.3437      0.00000
      8      10.0626      0.00000
      9      10.5468      0.00000
     10      11.6821      0.00000
     11      13.0066      0.00000
     12      13.6704      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4439      2.00000
      3       2.6363      2.00000
      4       3.7138      2.00000
      5       4.0850      2.00000
      6       5.5505      1.99829
      7       7.3403      0.00004
      8       9.3742      0.00000
      9      11.9846      0.00000
     10      12.8770      0.00000
     11      13.3009      0.00000
     12      14.9039      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4588      2.00000
      2       0.7461      2.00000
      3       2.9408      2.00000
      4       2.9962      2.00000
      5       3.7831      2.00000
      6       4.9662      2.00000
      7       6.4165      0.33745
      8       8.7355      0.00000
      9      13.4661      0.00000
     10      13.5769      0.00000
     11      14.1451      0.00000
     12      15.4920      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0085      2.00000
      2       1.0930      2.00000
      3       2.1386      2.00000
      4       3.2183      2.00000
      5       3.5676      2.00000
      6       4.7732      2.00000
      7       5.6006      1.99719
      8       8.2520      0.00000
      9      13.9403      0.00000
     10      14.7593      0.00000
     11      15.1652      0.00000
     12      15.7485      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4774      2.00000
      2       1.3373      2.00000
      3       1.5082      2.00000
      4       2.9332      2.00000
      5       3.9099      2.00000
      6       4.7484      2.00000
      7       4.9835      1.99999
      8       7.9861      0.00000
      9      14.3867      0.00000
     10      15.0539      0.00000
     11      15.2613      0.00000
     12      16.3986      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8349      2.00000
      2       0.3247      2.00000
      3       1.3420      2.00000
      4       3.0671      2.00000
      5       7.1352      0.00031
      6       8.2032      0.00000
      7       8.8527      0.00000
      8       9.2187      0.00000
      9       9.9519      0.00000
     10      10.6229      0.00000
     11      10.9031      0.00000
     12      13.4438      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7827      2.00000
      2       0.3741      2.00000
      3       1.3927      2.00000
      4       3.0887      2.00000
      5       6.4780      0.19783
      6       7.6018      0.00000
      7       8.5622      0.00000
      8       9.5878      0.00000
      9      10.1481      0.00000
     10      10.7984      0.00000
     11      11.6539      0.00000
     12      13.8614      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6266      2.00000
      2       0.5215      2.00000
      3       1.5441      2.00000
      4       3.1492      2.00000
      5       5.4320      1.99948
      6       6.6109      0.05646
      7       7.5345      0.00001
      8       9.4993      0.00000
      9      10.9452      0.00000
     10      12.0005      0.00000
     11      12.9309      0.00000
     12      14.5557      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3677      2.00000
      2       0.7637      2.00000
      3       1.7942      2.00000
      4       3.2305      2.00000
      5       4.4150      2.00000
      6       5.6398      1.99584
      7       6.5274      0.12550
      8       8.8343      0.00000
      9      12.4061      0.00000
     10      13.3782      0.00000
     11      14.3341      0.00000
     12      14.8112      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0089      2.00000
      2       1.0926      2.00000
      3       2.1376      2.00000
      4       3.2187      2.00000
      5       3.5685      2.00000
      6       4.7735      2.00000
      7       5.6013      1.99717
      8       8.2525      0.00000
      9      13.9479      0.00000
     10      14.7622      0.00000
     11      15.1574      0.00000
     12      15.7545      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4410      2.00000
      2       1.4839      2.00000
      3       2.5241      2.00000
      4       2.5930      2.00000
      5       3.3753      2.00000
      6       4.1215      2.00000
      7       4.7851      2.00000
      8       7.8211      0.00000
      9      15.4082      0.00000
     10      15.6100      0.00000
     11      15.9910      0.00000
     12      16.8465      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9289      2.00000
      2       1.7962      2.00000
      3       1.9324      2.00000
      4       2.9397      2.00000
      5       3.1598      2.00000
      6       3.8904      2.00000
      7       4.1578      2.00000
      8       7.5890      0.00000
      9      15.9378      0.00000
     10      16.4664      0.00000
     11      16.7190      0.00000
     12      16.8074      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000   0.000   0.000
  5.264  22.371  -0.001   0.000   0.000
 -0.000  -0.001  -0.285   0.000  -0.000
  0.000   0.000   0.000  -0.285   0.000
  0.000   0.000  -0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.076  -0.022   0.015   0.000   0.000
 -0.022   0.000  -0.000   0.000   0.000
  0.015  -0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.094


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1771: real time    0.1771
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3418: real time    0.3418
    STRESS:  cpu time    4.1405: real time    4.1407
    FORCOR:  cpu time    0.0469: real time    0.0469
    FORHAR:  cpu time    0.0130: real time    0.0130
    MIXING:  cpu time    0.0053: real time    0.0053
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.33229   -72.37481   -72.34221     0.00000    -0.00000    -0.00000
  Hartree     1.13773     1.12575     1.13399    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42259   -27.42196   -27.42244     0.00000    -0.00000    -0.00000
  Local      -4.01983    -3.96360    -4.00896     0.00000    -0.00000    -0.00000
  n-local    58.91386    58.90876    58.91254     0.25647     0.02324     0.18958
  augment    -3.03551    -3.03515    -3.03531     0.00000     0.00000    -0.00000
  Kinetic    46.89100    46.88562    46.88144    -3.61940    -0.57731    -2.94509
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.01913     0.01137     0.00582     0.00000     0.00000     0.00000
  in kB       0.46966     0.27919     0.14280     0.00000     0.00000     0.00000
  external pressure =        0.30 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.496E-15 0.459E+00 0.122E-07   -.828E-15 -.416E+00 0.182E-15   0.106E-18 -.186E+00 0.253E-20   -.265E-03 0.228E-04 -.324E-12
   -.537E-14 -.371E+00 0.237E-13   0.439E-15 0.282E+00 -.297E-15   -.419E-19 0.157E+00 -.309E-19   0.204E-02 -.295E-04 -.410E-12
   -.597E-14 0.135E+00 -.923E-13   0.956E-15 -.148E+00 0.282E-15   -.406E-18 0.199E-01 -.296E-20   0.204E-02 -.503E-03 0.306E-11
   0.257E-14 -.370E+00 -.313E-14   -.706E-15 0.282E+00 -.343E-15   -.527E-20 0.156E+00 -.101E-19   -.214E-02 -.511E-04 0.101E-11
 -----------------------------------------------------------------------------------------------
   -.827E-14 -.146E+00 0.122E-07   -.140E-15 -.111E-15 -.175E-15   -.347E-18 0.147E+00 -.415E-19   0.167E-02 -.561E-03 0.333E-11
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.05000      0.00000         0.000000     -0.143221      0.000000
      2.01274      2.01342      0.00000        -0.000000      0.068424     -0.000000
      2.01274      0.00000      2.01342         0.000000      0.006605     -0.000000
      0.00000      2.01342      2.01342        -0.000000      0.068192     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.001669     -0.000244      0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.55011988 eV

  energy  without entropy=      -13.51005634  energy(sigma->0) =      -13.53008811
 
 d Force = 0.1701273E-05[-0.716E-02, 0.716E-02]  d Energy = 0.4963854E-05-0.326E-05
 d Force =-0.3960036E-05[-0.208E-01, 0.208E-01]  d Ewald  =-0.3954616E-05-0.542E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0555: real time    0.0555


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   8/ 13
  Displacement:        1/  2
  Total:              15/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.461538  0.000000 -0.153846      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.153846  0.000000 -0.307692      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.230769  0.000000 -0.307692      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.307692  0.000000 -0.307692      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.384615  0.000000 -0.307692      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.384615  0.000000 -0.384615      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.153846  0.000000 -0.461538      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.230769  0.000000 -0.461538      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.307692  0.000000 -0.461538      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.384615  0.000000 -0.461538      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.000000  0.076923 -0.153846      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.076923  0.076923 -0.153846      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.153846  0.076923 -0.153846      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.230769  0.076923 -0.153846      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.307692  0.076923 -0.153846      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.384615  0.076923 -0.153846      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.461538  0.076923 -0.153846      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.000000  0.076923 -0.230769      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.076923  0.076923 -0.230769      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.153846  0.076923 -0.230769      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.230769  0.076923 -0.230769      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.307692  0.076923 -0.230769      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.384615  0.076923 -0.230769      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.461538  0.076923 -0.230769      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.000000  0.076923 -0.307692      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.076923  0.076923 -0.307692      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.153846  0.076923 -0.307692      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.230769  0.076923 -0.307692      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.307692  0.076923 -0.307692      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.384615  0.076923 -0.307692      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.461538  0.076923 -0.307692      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.000000  0.076923 -0.384615      4.000000
  0.076923  0.384615  0.076923      8.000000
  0.076923  0.076923 -0.384615      8.000000
  0.153846  0.384615  0.076923      8.000000
  0.153846  0.076923 -0.384615      8.000000
  0.230769  0.384615  0.076923      8.000000
  0.230769  0.076923 -0.384615      8.000000
  0.307692  0.384615  0.076923      8.000000
  0.307692  0.076923 -0.384615      8.000000
  0.384615  0.384615  0.076923      8.000000
  0.384615  0.076923 -0.384615      8.000000
  0.461538  0.384615  0.076923      8.000000
  0.461538  0.076923 -0.384615      8.000000
  0.000000  0.461538  0.076923      4.000000
  0.000000  0.076923 -0.461538      4.000000
  0.076923  0.461538  0.076923      8.000000
  0.076923  0.076923 -0.461538      8.000000
  0.153846  0.461538  0.076923      8.000000
  0.153846  0.076923 -0.461538      8.000000
  0.230769  0.461538  0.076923      8.000000
  0.230769  0.076923 -0.461538      8.000000
  0.307692  0.461538  0.076923      8.000000
  0.307692  0.076923 -0.461538      8.000000
  0.384615  0.461538  0.076923      8.000000
  0.384615  0.076923 -0.461538      8.000000
  0.461538  0.461538  0.076923      8.000000
  0.461538  0.076923 -0.461538      8.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      4.000000
  0.000000  0.153846 -0.230769      4.000000
  0.076923  0.230769  0.153846      8.000000
  0.076923  0.153846 -0.230769      8.000000
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  0.038218  0.095513  0.038205      8.000000
  0.038218  0.038205 -0.095513      8.000000
  0.057327  0.095513  0.038205      8.000000
  0.057327  0.038205 -0.095513      8.000000
  0.076436  0.095513  0.038205      8.000000
  0.076436  0.038205 -0.095513      8.000000
  0.095545  0.095513  0.038205      8.000000
  0.095545  0.038205 -0.095513      8.000000
  0.114654  0.095513  0.038205      8.000000
  0.114654  0.038205 -0.095513      8.000000
  0.000000  0.114616  0.038205      4.000000
  0.000000  0.038205 -0.114616      4.000000
  0.019109  0.114616  0.038205      8.000000
  0.019109  0.038205 -0.114616      8.000000
  0.038218  0.114616  0.038205      8.000000
  0.038218  0.038205 -0.114616      8.000000
  0.057327  0.114616  0.038205      8.000000
  0.057327  0.038205 -0.114616      8.000000
  0.076436  0.114616  0.038205      8.000000
  0.076436  0.038205 -0.114616      8.000000
  0.095545  0.114616  0.038205      8.000000
  0.095545  0.038205 -0.114616      8.000000
  0.114654  0.114616  0.038205      8.000000
  0.114654  0.038205 -0.114616      8.000000
  0.000000  0.057308  0.057308      4.000000
  0.019109  0.057308  0.057308      8.000000
  0.038218  0.057308  0.057308      8.000000
  0.057327  0.057308  0.057308      8.000000
  0.076436  0.057308  0.057308      8.000000
  0.095545  0.057308  0.057308      8.000000
  0.114654  0.057308  0.057308      8.000000
  0.000000  0.076411  0.057308      4.000000
  0.000000  0.057308 -0.076411      4.000000
  0.019109  0.076411  0.057308      8.000000
  0.019109  0.057308 -0.076411      8.000000
  0.038218  0.076411  0.057308      8.000000
  0.038218  0.057308 -0.076411      8.000000
  0.057327  0.076411  0.057308      8.000000
  0.057327  0.057308 -0.076411      8.000000
  0.076436  0.076411  0.057308      8.000000
  0.076436  0.057308 -0.076411      8.000000
  0.095545  0.076411  0.057308      8.000000
  0.095545  0.057308 -0.076411      8.000000
  0.114654  0.076411  0.057308      8.000000
  0.114654  0.057308 -0.076411      8.000000
  0.000000  0.095513  0.057308      4.000000
  0.000000  0.057308 -0.095513      4.000000
  0.019109  0.095513  0.057308      8.000000
  0.019109  0.057308 -0.095513      8.000000
  0.038218  0.095513  0.057308      8.000000
  0.038218  0.057308 -0.095513      8.000000
  0.057327  0.095513  0.057308      8.000000
  0.057327  0.057308 -0.095513      8.000000
  0.076436  0.095513  0.057308      8.000000
  0.076436  0.057308 -0.095513      8.000000
  0.095545  0.095513  0.057308      8.000000
  0.095545  0.057308 -0.095513      8.000000
  0.114654  0.095513  0.057308      8.000000
  0.114654  0.057308 -0.095513      8.000000
  0.000000  0.114616  0.057308      4.000000
  0.000000  0.057308 -0.114616      4.000000
  0.019109  0.114616  0.057308      8.000000
  0.019109  0.057308 -0.114616      8.000000
  0.038218  0.114616  0.057308      8.000000
  0.038218  0.057308 -0.114616      8.000000
  0.057327  0.114616  0.057308      8.000000
  0.057327  0.057308 -0.114616      8.000000
  0.076436  0.114616  0.057308      8.000000
  0.076436  0.057308 -0.114616      8.000000
  0.095545  0.114616  0.057308      8.000000
  0.095545  0.057308 -0.114616      8.000000
  0.114654  0.114616  0.057308      8.000000
  0.114654  0.057308 -0.114616      8.000000
  0.000000  0.076411  0.076411      4.000000
  0.019109  0.076411  0.076411      8.000000
  0.038218  0.076411  0.076411      8.000000
  0.057327  0.076411  0.076411      8.000000
  0.076436  0.076411  0.076411      8.000000
  0.095545  0.076411  0.076411      8.000000
  0.114654  0.076411  0.076411      8.000000
  0.000000  0.095513  0.076411      4.000000
  0.000000  0.076411 -0.095513      4.000000
  0.019109  0.095513  0.076411      8.000000
  0.019109  0.076411 -0.095513      8.000000
  0.038218  0.095513  0.076411      8.000000
  0.038218  0.076411 -0.095513      8.000000
  0.057327  0.095513  0.076411      8.000000
  0.057327  0.076411 -0.095513      8.000000
  0.076436  0.095513  0.076411      8.000000
  0.076436  0.076411 -0.095513      8.000000
  0.095545  0.095513  0.076411      8.000000
  0.095545  0.076411 -0.095513      8.000000
  0.114654  0.095513  0.076411      8.000000
  0.114654  0.076411 -0.095513      8.000000
  0.000000  0.114616  0.076411      4.000000
  0.000000  0.076411 -0.114616      4.000000
  0.019109  0.114616  0.076411      8.000000
  0.019109  0.076411 -0.114616      8.000000
  0.038218  0.114616  0.076411      8.000000
  0.038218  0.076411 -0.114616      8.000000
  0.057327  0.114616  0.076411      8.000000
  0.057327  0.076411 -0.114616      8.000000
  0.076436  0.114616  0.076411      8.000000
  0.076436  0.076411 -0.114616      8.000000
  0.095545  0.114616  0.076411      8.000000
  0.095545  0.076411 -0.114616      8.000000
  0.114654  0.114616  0.076411      8.000000
  0.114654  0.076411 -0.114616      8.000000
  0.000000  0.095513  0.095513      4.000000
  0.019109  0.095513  0.095513      8.000000
  0.038218  0.095513  0.095513      8.000000
  0.057327  0.095513  0.095513      8.000000
  0.076436  0.095513  0.095513      8.000000
  0.095545  0.095513  0.095513      8.000000
  0.114654  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      4.000000
  0.000000  0.095513 -0.114616      4.000000
  0.019109  0.114616  0.095513      8.000000
  0.019109  0.095513 -0.114616      8.000000
  0.038218  0.114616  0.095513      8.000000
  0.038218  0.095513 -0.114616      8.000000
  0.057327  0.114616  0.095513      8.000000
  0.057327  0.095513 -0.114616      8.000000
  0.076436  0.114616  0.095513      8.000000
  0.076436  0.095513 -0.114616      8.000000
  0.095545  0.114616  0.095513      8.000000
  0.095545  0.095513 -0.114616      8.000000
  0.114654  0.114616  0.095513      8.000000
  0.114654  0.095513 -0.114616      8.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.114616      8.000000
  0.038218  0.114616  0.114616      8.000000
  0.057327  0.114616  0.114616      8.000000
  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.3998: real time    0.4033
    FEWALD:  cpu time    0.0028: real time    0.0028
    GENKIN:  cpu time    0.0698: real time    0.0698
    ORTHCH:  cpu time    2.1942: real time    2.1943
     LOOP+:  cpu time  128.9241: real time  128.9829


--------------------------------------- Iteration     17(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0494: real time    0.0501
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   19.5908: real time   19.6027
       DOS:  cpu time    0.0127: real time    0.0127
    CHARGE:  cpu time    0.1717: real time    0.1718
    MIXING:  cpu time    0.0034: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time   19.8315: real time   19.8442

 eigenvalue-minimisations  :  8528
 total energy-change (2. order) :-0.2873198E-02  (-0.3243492E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060351 magnetization 

 Broyden mixing:
  rms(total) = 0.17909E-01    rms(broyden)= 0.17909E-01
  rms(prec ) = 0.74251E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39642754
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80187954
  PAW double counting   =       428.62668114     -327.27951110
  entropy T*S    EENTRO =        -0.04006254
  eigenvalues    EBANDS =        22.58519050
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55300131 eV

  energy without entropy =      -13.51293877  energy(sigma->0) =      -13.53297004


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0482: real time    0.0486
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   24.9047: real time   24.9115
       DOS:  cpu time    0.0160: real time    0.0160
    CHARGE:  cpu time    0.1716: real time    0.1716
    MIXING:  cpu time    0.0029: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time   25.1471: real time   25.1542

 eigenvalue-minimisations  : 10356
 total energy-change (2. order) : 0.2337047E-02  (-0.1022642E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060069 magnetization 

 Broyden mixing:
  rms(total) = 0.81146E-02    rms(broyden)= 0.81146E-02
  rms(prec ) = 0.30915E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5957
  1.5957

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39599233
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80198865
  PAW double counting   =       428.53518424     -327.18800092
  entropy T*S    EENTRO =        -0.04006354
  eigenvalues    EBANDS =        22.58718918
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55066426 eV

  energy without entropy =      -13.51060072  energy(sigma->0) =      -13.53063249


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0522: real time    0.0526
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   24.0619: real time   24.0741
       DOS:  cpu time    0.0157: real time    0.0157
    CHARGE:  cpu time    0.1734: real time    0.1734
    MIXING:  cpu time    0.0047: real time    0.0047
    --------------------------------------------
      LOOP:  cpu time   24.3112: real time   24.3239

 eigenvalue-minimisations  :  9844
 total energy-change (2. order) : 0.5391588E-03  (-0.2408575E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060114 magnetization 

 Broyden mixing:
  rms(total) = 0.20027E-02    rms(broyden)= 0.20027E-02
  rms(prec ) = 0.57208E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5321
  1.2759  1.7882

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39704850
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80197898
  PAW double counting   =       428.48906157     -327.14188670
  entropy T*S    EENTRO =        -0.04006389
  eigenvalues    EBANDS =        22.58878363
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55012510 eV

  energy without entropy =      -13.51006121  energy(sigma->0) =      -13.53009316


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0492: real time    0.0497
    SETDIJ:  cpu time    0.0041: real time    0.0041
     EDDAV:  cpu time   24.7090: real time   24.7192
       DOS:  cpu time    0.0160: real time    0.0160
    CHARGE:  cpu time    0.1723: real time    0.1742
    MIXING:  cpu time    0.0049: real time    0.0049
    --------------------------------------------
      LOOP:  cpu time   24.9555: real time   24.9681

 eigenvalue-minimisations  : 10252
 total energy-change (2. order) : 0.4973116E-05  (-0.1476857E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060071 magnetization 

 Broyden mixing:
  rms(total) = 0.68217E-03    rms(broyden)= 0.68217E-03
  rms(prec ) = 0.17784E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6382
  1.1933  1.4686  2.2525

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39732918
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80199648
  PAW double counting   =       428.49901098     -327.15184054
  entropy T*S    EENTRO =        -0.04006359
  eigenvalues    EBANDS =        22.58909091
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55012013 eV

  energy without entropy =      -13.51005654  energy(sigma->0) =      -13.53008834


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0587: real time    0.0590
    SETDIJ:  cpu time    0.0032: real time    0.0032
     EDDAV:  cpu time   24.4504: real time   24.4571
       DOS:  cpu time    0.0180: real time    0.0180
    --------------------------------------------
      LOOP:  cpu time   24.5302: real time   24.5373

 eigenvalue-minimisations  : 10084
 total energy-change (2. order) : 0.1023372E-05  (-0.4656836E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060071 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04922965
  -Hartree energ DENC   =        -3.39746885
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80199831
  PAW double counting   =       428.55664055     -327.20947201
  entropy T*S    EENTRO =        -0.04006354
  eigenvalues    EBANDS =        22.58923529
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.55011911 eV

  energy without entropy =      -13.51005557  energy(sigma->0) =      -13.53008734


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2468       2 -74.2398       3 -74.2402       4 -74.2394
 
 
 
 E-fermi :   6.2570     XC(G=0):  -9.5665     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6244      2.00000
      2       4.3277      2.00000
      3       4.3298      2.00000
      4       4.3325      2.00000
      5       5.5468      1.99835
      6       5.5530      1.99825
      7       7.6014      0.00000
      8      12.5098      0.00000
      9      12.5110      0.00000
     10      12.5113      0.00000
     11      12.8038      0.00000
     12      12.8126      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6445      2.00000
      3       4.3767      2.00000
      4       4.3789      2.00000
      5       5.5998      1.99721
      6       6.1570      1.46242
      7       7.8020      0.00000
      8      11.5751      0.00000
      9      11.5760      0.00000
     10      12.1691      0.00000
     11      12.8504      0.00000
     12      12.9923      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4279      2.00000
      2       2.6155      2.00000
      3       4.5236      2.00000
      4       4.5256      2.00000
      5       5.7582      1.98646
      6       6.7599      0.01301
      7       8.5744      0.00000
      8      10.4575      0.00000
      9      10.4596      0.00000
     10      11.4053      0.00000
     11      12.8119      0.00000
     12      12.9943      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1861      2.00000
      2       1.6218      2.00000
      3       4.7669      2.00000
      4       4.7688      2.00000
      5       6.0212      1.82728
      6       7.0439      0.00076
      7       9.4208      0.00000
      8       9.4223      0.00000
      9       9.8465      0.00000
     10      10.5249      0.00000
     11      12.3291      0.00000
     12      13.2280      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8579      2.00000
      2       0.7174      2.00000
      3       5.1032      1.99998
      4       5.1048      1.99998
      5       6.3868      0.42923
      6       7.2186      0.00013
      7       8.4856      0.00000
      8       8.4889      0.00000
      9       9.6519      0.00000
     10      11.2344      0.00000
     11      12.0130      0.00000
     12      13.5383      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4682      2.00000
      2      -0.0602      2.00000
      3       5.5200      1.99874
      4       5.5210      1.99873
      5       6.8516      0.00522
      6       7.3433      0.00004
      7       7.6684      0.00000
      8       7.6744      0.00000
      9       8.8343      0.00000
     10      11.4234      0.00000
     11      13.1395      0.00000
     12      13.8872      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1170      2.00000
      2      -0.6064      2.00000
      3       5.9456      1.91500
      4       5.9461      1.91458
      5       7.0419      0.00078
      6       7.0430      0.00077
      7       7.4080      0.00002
      8       7.4178      0.00002
      9       8.1011      0.00000
     10      11.2701      0.00000
     11      14.1642      0.00000
     12      14.5228      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6413      2.00000
      3       4.3767      2.00000
      4       4.3815      2.00000
      5       5.6050      1.99706
      6       6.1539      1.47452
      7       7.8003      0.00000
      8      11.5717      0.00000
      9      11.5758      0.00000
     10      12.1689      0.00000
     11      12.8609      0.00000
     12      12.9889      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5257      2.00000
      2       3.5651      2.00000
      3       3.8396      2.00000
      4       4.4257      2.00000
      5       5.9326      1.92498
      6       6.5058      0.15349
      7       7.9538      0.00000
      8      10.8392      0.00000
      9      11.4717      0.00000
     10      11.8597      0.00000
     11      12.3579      0.00000
     12      12.8478      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3785      2.00000
      2       2.6480      2.00000
      3       3.8812      2.00000
      4       4.5725      2.00000
      5       6.1434      1.51395
      6       7.1325      0.00032
      7       8.6231      0.00000
      8       9.8309      0.00000
      9      10.4981      0.00000
     10      11.7928      0.00000
     11      11.8392      0.00000
     12      12.8766      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1365      2.00000
      2       1.6630      2.00000
      3       4.1157      2.00000
      4       4.8159      2.00000
      5       6.3876      0.42662
      6       7.4351      0.00002
      7       8.8251      0.00000
      8       9.4678      0.00000
      9       9.9062      0.00000
     10      10.9711      0.00000
     11      12.0638      0.00000
     12      12.5053      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8078      2.00000
      2       0.7610      2.00000
      3       4.4449      2.00000
      4       5.1521      1.99997
      5       6.6766      0.02969
      6       7.5833      0.00000
      7       8.0372      0.00000
      8       8.5338      0.00000
      9      10.1174      0.00000
     10      11.3468      0.00000
     11      12.1159      0.00000
     12      12.3816      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4173      2.00000
      2      -0.0164      2.00000
      3       4.8494      2.00000
      4       5.5688      1.99795
      5       6.7504      0.01430
      6       7.4466      0.00001
      7       7.7171      0.00000
      8       7.8880      0.00000
      9       9.3425      0.00000
     10      11.6146      0.00000
     11      12.7623      0.00000
     12      13.0933      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0644      2.00000
      2      -0.5637      2.00000
      3       5.2502      1.99992
      4       5.9946      1.86484
      5       6.3365      0.62219
      6       7.0910      0.00048
      7       7.6135      0.00000
      8       8.1161      0.00000
      9       8.6728      0.00000
     10      11.4416      0.00000
     11      13.1076      0.00000
     12      14.1370      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4281      2.00000
      2       2.6124      2.00000
      3       4.5233      2.00000
      4       4.5282      2.00000
      5       5.7633      1.98576
      6       6.7602      0.01297
      7       8.5689      0.00000
      8      10.4548      0.00000
      9      10.4592      0.00000
     10      11.4059      0.00000
     11      12.8175      0.00000
     12      13.0043      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6451      2.00000
      3       3.8842      2.00000
      4       4.5724      2.00000
      5       6.1454      1.50678
      6       7.1349      0.00031
      7       8.6183      0.00000
      8       9.8308      0.00000
      9      10.4955      0.00000
     10      11.7928      0.00000
     11      11.8426      0.00000
     12      12.8796      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2310      2.00000
      2       2.5826      2.00000
      3       3.0717      2.00000
      4       4.7191      2.00000
      5       6.4079      0.36242
      6       8.0480      0.00000
      7       8.6537      0.00000
      8       9.1598      0.00000
      9      10.4927      0.00000
     10      10.8467      0.00000
     11      11.8444      0.00000
     12      12.6320      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9882      2.00000
      2       1.7728      2.00000
      3       3.1266      2.00000
      4       4.9623      2.00000
      5       6.5665      0.08671
      6       7.9163      0.00000
      7       8.5947      0.00000
      8       9.6044      0.00000
      9      10.0333      0.00000
     10      10.9292      0.00000
     11      11.3318      0.00000
     12      12.6367      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6583      2.00000
      2       0.8879      2.00000
      3       3.4297      2.00000
      4       5.2984      1.99986
      5       6.4572      0.23811
      6       7.4665      0.00001
      7       8.6775      0.00000
      8       8.8187      0.00000
      9      10.6499      0.00000
     10      11.2428      0.00000
     11      11.5001      0.00000
     12      12.5260      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2651      2.00000
      2       0.1133      2.00000
      3       3.8143      2.00000
      4       5.7148      1.99121
      5       5.9141      1.93723
      6       7.5781      0.00000
      7       7.8626      0.00000
      8       8.9545      0.00000
      9      10.1172      0.00000
     10      11.6278      0.00000
     11      12.2042      0.00000
     12      12.8489      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9071      2.00000
      2      -0.4373      2.00000
      3       4.1834      2.00000
      4       5.4035      1.99961
      5       6.1399      1.52676
      6       7.2376      0.00011
      7       7.7962      0.00000
      8       8.9592      0.00000
      9       9.8258      0.00000
     10      11.9829      0.00000
     11      11.9829      0.00000
     12      13.3918      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6192      2.00000
      3       4.7664      2.00000
      4       4.7712      2.00000
      5       6.0261      1.81934
      6       7.0456      0.00075
      7       9.4190      0.00000
      8       9.4234      0.00000
      9       9.8371      0.00000
     10      10.5263      0.00000
     11      12.3342      0.00000
     12      13.2372      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1367      2.00000
      2       1.6605      2.00000
      3       4.1186      2.00000
      4       4.8154      2.00000
      5       6.3895      0.41999
      6       7.4393      0.00001
      7       8.8253      0.00000
      8       9.4660      0.00000
      9       9.8982      0.00000
     10      10.9717      0.00000
     11      12.0670      0.00000
     12      12.5108      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9884      2.00000
      2       1.7706      2.00000
      3       3.1291      2.00000
      4       4.9620      2.00000
      5       6.5668      0.08640
      6       7.9175      0.00000
      7       8.5989      0.00000
      8       9.6028      0.00000
      9      10.0264      0.00000
     10      10.9314      0.00000
     11      11.3322      0.00000
     12      12.6378      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7443      2.00000
      2       1.7615      2.00000
      3       2.3762      2.00000
      4       5.2050      1.99995
      5       6.3585      0.53224
      6       7.4618      0.00001
      7       9.7071      0.00000
      8       9.7374      0.00000
      9      10.0229      0.00000
     10      10.3554      0.00000
     11      11.2946      0.00000
     12      12.4464      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4118      2.00000
      2       1.0766      2.00000
      3       2.4679      2.00000
      4       5.5408      1.99845
      5       5.7125      1.99140
      6       7.5413      0.00001
      7       8.9105      0.00000
      8      10.0092      0.00000
      9      10.2088      0.00000
     10      11.0930      0.00000
     11      11.4354      0.00000
     12      12.6295      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0138      2.00000
      2       0.3212      2.00000
      3       2.8127      2.00000
      4       5.0244      1.99999
      5       5.9567      1.90548
      6       7.8087      0.00000
      7       8.1020      0.00000
      8       9.7698      0.00000
      9      10.5924      0.00000
     10      11.1181      0.00000
     11      12.1646      0.00000
     12      12.9240      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6463      2.00000
      2      -0.2331      2.00000
      3       3.1464      2.00000
      4       4.5141      2.00000
      5       6.3810      0.44888
      6       7.4790      0.00001
      7       8.0566      0.00000
      8       9.4665      0.00000
      9      10.9536      0.00000
     10      11.2496      0.00000
     11      12.3616      0.00000
     12      12.4810      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8585      2.00000
      2       0.7153      2.00000
      3       5.1022      1.99998
      4       5.1070      1.99998
      5       6.3916      0.41331
      6       7.2205      0.00013
      7       8.4846      0.00000
      8       8.4892      0.00000
      9       9.6540      0.00000
     10      11.2260      0.00000
     11      12.0170      0.00000
     12      13.5455      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8084      2.00000
      2       0.7590      2.00000
      3       4.4476      2.00000
      4       5.1512      1.99997
      5       6.6783      0.02919
      6       7.5886      0.00000
      7       8.0367      0.00000
      8       8.5329      0.00000
      9      10.1188      0.00000
     10      11.3381      0.00000
     11      12.1210      0.00000
     12      12.3842      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6587      2.00000
      2       0.8861      2.00000
      3       3.4322      2.00000
      4       5.2976      1.99986
      5       6.4583      0.23587
      6       7.4668      0.00001
      7       8.6768      0.00000
      8       8.8235      0.00000
      9      10.6503      0.00000
     10      11.2444      0.00000
     11      11.4929      0.00000
     12      12.5297      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0751      2.00000
      3       2.4697      2.00000
      4       5.5403      1.99846
      5       5.7132      1.99135
      6       7.5411      0.00001
      7       8.9101      0.00000
      8      10.0128      0.00000
      9      10.2096      0.00000
     10      11.0960      0.00000
     11      11.4300      0.00000
     12      12.6269      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0753      2.00000
      2       1.1360      2.00000
      3       1.7990      2.00000
      4       4.9130      2.00000
      5       5.8757      1.95683
      6       7.7985      0.00000
      7       9.1173      0.00000
      8       9.3950      0.00000
      9      10.4705      0.00000
     10      11.3186      0.00000
     11      11.9576      0.00000
     12      12.7765      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6690      2.00000
      2       0.5811      2.00000
      3       1.9147      2.00000
      4       4.2069      2.00000
      5       6.2910      0.83167
      6       8.1241      0.00000
      7       8.4259      0.00000
      8       9.6655      0.00000
      9      10.1318      0.00000
     10      11.5161      0.00000
     11      11.9905      0.00000
     12      12.4938      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2851      2.00000
      2       0.0342      2.00000
      3       2.1917      2.00000
      4       3.7189      2.00000
      5       6.7151      0.02029
      6       7.8077      0.00000
      7       8.4094      0.00000
      8       9.7663      0.00000
      9      10.0272      0.00000
     10      11.4213      0.00000
     11      11.6689      0.00000
     12      12.7869      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4692      2.00000
      2      -0.0617      2.00000
      3       5.5181      1.99876
      4       5.5229      1.99870
      5       6.8566      0.00497
      6       7.3464      0.00004
      7       7.6686      0.00000
      8       7.6732      0.00000
      9       8.8369      0.00000
     10      11.4268      0.00000
     11      13.1309      0.00000
     12      13.8913      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4182      2.00000
      2      -0.0178      2.00000
      3       4.8517      2.00000
      4       5.5669      1.99799
      5       6.7529      0.01394
      6       7.4478      0.00001
      7       7.7174      0.00000
      8       7.8903      0.00000
      9       9.3450      0.00000
     10      11.6188      0.00000
     11      12.7640      0.00000
     12      13.0850      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2659      2.00000
      2       0.1120      2.00000
      3       3.8163      2.00000
      4       5.7131      1.99136
      5       5.9160      1.93606
      6       7.5775      0.00000
      7       7.8631      0.00000
      8       8.9581      0.00000
      9      10.1200      0.00000
     10      11.6286      0.00000
     11      12.2111      0.00000
     12      12.8422      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3201      2.00000
      3       2.8142      2.00000
      4       5.0257      1.99999
      5       5.9553      1.90671
      6       7.8081      0.00000
      7       8.1027      0.00000
      8       9.7713      0.00000
      9      10.5924      0.00000
     10      11.1233      0.00000
     11      12.1645      0.00000
     12      12.9262      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5803      2.00000
      3       1.9156      2.00000
      4       4.2075      2.00000
      5       6.2902      0.83598
      6       8.1237      0.00000
      7       8.4272      0.00000
      8       9.6645      0.00000
      9      10.1324      0.00000
     10      11.5160      0.00000
     11      11.9917      0.00000
     12      12.4998      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2479      2.00000
      2       0.7157      2.00000
      3       1.2958      2.00000
      4       3.5186      2.00000
      5       6.7055      0.02232
      6       8.5000      0.00000
      7       8.7241      0.00000
      8       8.9493      0.00000
      9      10.1843      0.00000
     10      11.0387      0.00000
     11      11.1905      0.00000
     12      13.5204      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8334      2.00000
      2       0.3261      2.00000
      3       1.3436      2.00000
      4       3.0675      2.00000
      5       7.1318      0.00032
      6       8.1998      0.00000
      7       8.8474      0.00000
      8       9.2157      0.00000
      9       9.9467      0.00000
     10      10.6196      0.00000
     11      10.8980      0.00000
     12      13.4400      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1184      2.00000
      2      -0.6073      2.00000
      3       5.9423      1.91765
      4       5.9471      1.91375
      5       7.0442      0.00076
      6       7.0487      0.00073
      7       7.4092      0.00002
      8       7.4175      0.00002
      9       8.1044      0.00000
     10      11.2746      0.00000
     11      14.1657      0.00000
     12      14.5214      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0658      2.00000
      2      -0.5646      2.00000
      3       5.2519      1.99991
      4       5.9908      1.86951
      5       6.3400      0.60757
      6       7.0933      0.00047
      7       7.6122      0.00000
      8       8.1189      0.00000
      9       8.6771      0.00000
     10      11.4468      0.00000
     11      13.1078      0.00000
     12      14.1357      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9084      2.00000
      2      -0.4381      2.00000
      3       4.1848      2.00000
      4       5.4061      1.99960
      5       6.1363      1.53963
      6       7.2401      0.00011
      7       7.7949      0.00000
      8       8.9610      0.00000
      9       9.8308      0.00000
     10      11.9823      0.00000
     11      11.9898      0.00000
     12      13.4170      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6474      2.00000
      2      -0.2337      2.00000
      3       3.1475      2.00000
      4       4.5160      2.00000
      5       6.3777      0.46047
      6       7.4818      0.00001
      7       8.0555      0.00000
      8       9.4677      0.00000
      9      10.9521      0.00000
     10      11.2549      0.00000
     11      12.3654      0.00000
     12      12.4789      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2860      2.00000
      2       0.0340      2.00000
      3       2.1923      2.00000
      4       3.7201      2.00000
      5       6.7123      0.02086
      6       7.8110      0.00000
      7       8.4085      0.00000
      8       9.7673      0.00000
      9      10.0247      0.00000
     10      11.4241      0.00000
     11      11.6684      0.00000
     12      12.7913      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8340      2.00000
      2       0.3262      2.00000
      3       1.3437      2.00000
      4       3.0681      2.00000
      5       7.1299      0.00032
      6       8.2040      0.00000
      7       8.8468      0.00000
      8       9.2121      0.00000
      9       9.9477      0.00000
     10      10.6212      0.00000
     11      10.8976      0.00000
     12      13.4409      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3488      2.00000
      2       0.5047      2.00000
      3       0.7067      2.00000
      4       2.6613      2.00000
      5       7.5689      0.00000
      6       8.5273      0.00000
      7       8.6113      0.00000
      8       9.3180      0.00000
      9      10.0077      0.00000
     10      10.0567      0.00000
     11      10.2858      0.00000
     12      13.3352      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5258      2.00000
      2       3.5627      2.00000
      3       3.8378      2.00000
      4       4.4305      2.00000
      5       5.9368      1.92187
      6       6.5020      0.15898
      7       7.9526      0.00000
      8      10.8354      0.00000
      9      11.4737      0.00000
     10      11.8619      0.00000
     11      12.3596      0.00000
     12      12.8512      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4764      2.00000
      2       3.6134      2.00000
      3       3.6164      2.00000
      4       4.0640      2.00000
      5       6.5523      0.09927
      6       6.5581      0.09394
      7       8.0779      0.00000
      8      10.7457      0.00000
      9      10.7481      0.00000
     10      11.3252      0.00000
     11      12.6480      0.00000
     12      13.3203      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3290      2.00000
      2       2.6838      2.00000
      3       3.7654      2.00000
      4       4.1227      2.00000
      5       6.7021      0.02307
      6       7.2992      0.00006
      7       8.6672      0.00000
      8       9.7004      0.00000
      9      10.0541      0.00000
     10      11.1913      0.00000
     11      12.2575      0.00000
     12      13.2405      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0868      2.00000
      2       1.7049      2.00000
      3       4.0176      2.00000
      4       4.3360      2.00000
      5       6.9445      0.00206
      6       7.5945      0.00000
      7       8.6978      0.00000
      8       9.0951      0.00000
      9       9.9754      0.00000
     10      11.3725      0.00000
     11      11.4262      0.00000
     12      12.7768      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7577      2.00000
      2       0.8048      2.00000
      3       4.3679      2.00000
      4       4.6337      2.00000
      5       7.2157      0.00014
      6       7.6021      0.00000
      7       7.8482      0.00000
      8       8.4798      0.00000
      9      10.5642      0.00000
     10      11.3383      0.00000
     11      11.6497      0.00000
     12      12.4237      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3663      2.00000
      2       0.0277      2.00000
      3       4.8092      2.00000
      4       4.9843      1.99999
      5       6.8225      0.00698
      6       7.2125      0.00014
      7       7.8631      0.00000
      8       8.3010      0.00000
      9       9.7555      0.00000
     10      11.6881      0.00000
     11      12.0889      0.00000
     12      13.2382      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0119      2.00000
      2      -0.5208      2.00000
      3       5.2832      1.99988
      4       5.3030      1.99986
      5       6.1690      1.41388
      6       6.7901      0.00963
      7       8.3192      0.00000
      8       8.3806      0.00000
      9       9.0267      0.00000
     10      11.5660      0.00000
     11      12.3682      0.00000
     12      13.8851      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6450      2.00000
      3       3.8802      2.00000
      4       4.5772      2.00000
      5       6.1486      1.49459
      6       7.1312      0.00032
      7       8.6178      0.00000
      8       9.8272      0.00000
      9      10.4998      0.00000
     10      11.7952      0.00000
     11      11.8426      0.00000
     12      12.8801      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3291      2.00000
      2       2.6809      2.00000
      3       3.7672      2.00000
      4       4.1238      2.00000
      5       6.7068      0.02203
      6       7.2984      0.00006
      7       8.6627      0.00000
      8       9.6989      0.00000
      9      10.0539      0.00000
     10      11.1935      0.00000
     11      12.2580      0.00000
     12      13.2499      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1814      2.00000
      2       2.6341      2.00000
      3       3.0703      2.00000
      4       4.1441      2.00000
      5       7.0877      0.00049
      6       8.0887      0.00000
      7       8.7029      0.00000
      8       9.0990      0.00000
      9       9.8188      0.00000
     10      10.4925      0.00000
     11      12.4821      0.00000
     12      13.1080      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9384      2.00000
      2       1.8176      2.00000
      3       3.1489      2.00000
      4       4.3601      2.00000
      5       7.1867      0.00018
      6       8.0222      0.00000
      7       8.4986      0.00000
      8       9.1899      0.00000
      9       9.9031      0.00000
     10      10.6059      0.00000
     11      11.9341      0.00000
     12      13.1318      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6081      2.00000
      2       0.9329      2.00000
      3       3.4606      2.00000
      4       4.6640      2.00000
      5       6.7389      0.01603
      6       7.8613      0.00000
      7       8.0764      0.00000
      8       9.1126      0.00000
      9      10.5294      0.00000
     10      11.1500      0.00000
     11      11.7034      0.00000
     12      12.8233      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2141      2.00000
      2       0.1580      2.00000
      3       3.8528      2.00000
      4       5.0219      1.99999
      5       6.0478      1.78029
      6       7.2995      0.00006
      7       8.2577      0.00000
      8       9.2722      0.00000
      9      10.4507      0.00000
     10      10.9438      0.00000
     11      12.3353      0.00000
     12      13.1526      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8546      2.00000
      2      -0.3938      2.00000
      3       4.2307      2.00000
      4       5.2824      1.99988
      5       5.5662      1.99800
      6       6.8009      0.00866
      7       8.5621      0.00000
      8       9.4163      0.00000
      9       9.9398      0.00000
     10      11.2855      0.00000
     11      11.9778      0.00000
     12      13.0373      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6604      2.00000
      3       4.1144      2.00000
      4       4.8202      2.00000
      5       6.3928      0.40914
      6       7.4352      0.00002
      7       8.8218      0.00000
      8       9.4705      0.00000
      9       9.8984      0.00000
     10      10.9728      0.00000
     11      12.0669      0.00000
     12      12.5088      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0870      2.00000
      2       1.7024      2.00000
      3       4.0192      2.00000
      4       4.3370      2.00000
      5       6.9492      0.00197
      6       7.5956      0.00000
      7       8.6972      0.00000
      8       9.0939      0.00000
      9       9.9687      0.00000
     10      11.3759      0.00000
     11      11.4265      0.00000
     12      12.7795      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9386      2.00000
      2       1.8154      2.00000
      3       3.1514      2.00000
      4       4.3599      2.00000
      5       7.1874      0.00018
      6       8.0233      0.00000
      7       8.5008      0.00000
      8       9.1896      0.00000
      9       9.9004      0.00000
     10      10.6042      0.00000
     11      11.9343      0.00000
     12      13.1345      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6943      2.00000
      2       1.8134      2.00000
      3       2.4042      2.00000
      4       4.5730      2.00000
      5       6.6601      0.03493
      6       7.9144      0.00000
      7       8.9550      0.00000
      8       9.4178      0.00000
      9       9.9105      0.00000
     10      10.6840      0.00000
     11      11.9746      0.00000
     12      12.8215      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       1.1241      2.00000
      3       2.5059      2.00000
      4       4.8511      2.00000
      5       5.9064      1.94176
      6       8.0921      0.00000
      7       8.3524      0.00000
      8       9.6013      0.00000
      9      10.3424      0.00000
     10      11.5403      0.00000
     11      11.7873      0.00000
     12      12.8230      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9628      2.00000
      2       0.3673      2.00000
      3       2.8561      2.00000
      4       4.9216      2.00000
      5       5.4883      1.99908
      6       7.5278      0.00001
      7       8.5228      0.00000
      8       9.9313      0.00000
      9      10.3430      0.00000
     10      11.2543      0.00000
     11      12.3454      0.00000
     12      12.8020      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5939      2.00000
      2      -0.1885      2.00000
      3       3.1957      2.00000
      4       4.5146      2.00000
      5       5.7232      1.99044
      6       6.9971      0.00122
      7       8.8226      0.00000
      8       9.9950      0.00000
      9      10.3141      0.00000
     10      11.2909      0.00000
     11      11.8070      0.00000
     12      13.0880      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8084      2.00000
      2       0.7589      2.00000
      3       4.4433      2.00000
      4       5.1559      1.99997
      5       6.6818      0.02819
      6       7.5830      0.00000
      7       8.0348      0.00000
      8       8.5375      0.00000
      9      10.1193      0.00000
     10      11.3375      0.00000
     11      12.1198      0.00000
     12      12.3841      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7583      2.00000
      2       0.8028      2.00000
      3       4.3692      2.00000
      4       4.6344      2.00000
      5       7.2208      0.00013
      6       7.6020      0.00000
      7       7.8485      0.00000
      8       8.4802      0.00000
      9      10.5663      0.00000
     10      11.3327      0.00000
     11      11.6493      0.00000
     12      12.4265      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9310      2.00000
      3       3.4630      2.00000
      4       4.6634      2.00000
      5       6.7402      0.01582
      6       7.8604      0.00000
      7       8.0773      0.00000
      8       9.1169      0.00000
      9      10.5307      0.00000
     10      11.1499      0.00000
     11      11.6962      0.00000
     12      12.8289      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1225      2.00000
      3       2.5076      2.00000
      4       4.8508      2.00000
      5       5.9069      1.94147
      6       8.0916      0.00000
      7       8.3523      0.00000
      8       9.6021      0.00000
      9      10.3474      0.00000
     10      11.5395      0.00000
     11      11.7829      0.00000
     12      12.8226      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0248      2.00000
      2       1.1882      2.00000
      3       1.8364      2.00000
      4       4.8115      2.00000
      5       5.4339      1.99947
      6       8.3996      0.00000
      7       8.4298      0.00000
      8       8.9549      0.00000
      9      11.1872      0.00000
     10      11.8083      0.00000
     11      12.0748      0.00000
     12      12.1192      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6179      2.00000
      2       0.6296      2.00000
      3       1.9592      2.00000
      4       4.2142      2.00000
      5       5.7010      1.99234
      6       7.8198      0.00000
      7       8.8213      0.00000
      8       9.0852      0.00000
      9      10.8197      0.00000
     10      11.4660      0.00000
     11      12.1819      0.00000
     12      12.6124      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2329      2.00000
      2       0.0807      2.00000
      3       2.2419      2.00000
      4       3.7364      2.00000
      5       6.0548      1.76637
      6       7.2785      0.00007
      7       9.1586      0.00000
      8       9.3740      0.00000
      9      10.3069      0.00000
     10      11.0868      0.00000
     11      12.4040      0.00000
     12      12.8556      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0179      2.00000
      3       4.8473      2.00000
      4       5.5717      1.99789
      5       6.7525      0.01400
      6       7.4484      0.00001
      7       7.7219      0.00000
      8       7.8871      0.00000
      9       9.3441      0.00000
     10      11.6176      0.00000
     11      12.7639      0.00000
     12      13.0852      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3673      2.00000
      2       0.0262      2.00000
      3       4.8100      2.00000
      4       4.9844      1.99999
      5       6.8249      0.00681
      6       7.2129      0.00014
      7       7.8659      0.00000
      8       8.3018      0.00000
      9       9.7583      0.00000
     10      11.6928      0.00000
     11      12.0880      0.00000
     12      13.2307      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2149      2.00000
      2       0.1567      2.00000
      3       3.8549      2.00000
      4       5.0207      1.99999
      5       6.0495      1.77706
      6       7.2995      0.00006
      7       8.2574      0.00000
      8       9.2765      0.00000
      9      10.4529      0.00000
     10      10.9448      0.00000
     11      12.3410      0.00000
     12      13.1468      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9634      2.00000
      2       0.3662      2.00000
      3       2.8576      2.00000
      4       4.9223      2.00000
      5       5.4878      1.99909
      6       7.5282      0.00001
      7       8.5222      0.00000
      8       9.9315      0.00000
      9      10.3458      0.00000
     10      11.2584      0.00000
     11      12.3484      0.00000
     12      12.8018      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6183      2.00000
      2       0.6289      2.00000
      3       1.9601      2.00000
      4       4.2148      2.00000
      5       5.7002      1.99239
      6       7.8207      0.00000
      7       8.8206      0.00000
      8       9.0849      0.00000
      9      10.8210      0.00000
     10      11.4669      0.00000
     11      12.1822      0.00000
     12      12.6173      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1966      2.00000
      2       0.7681      2.00000
      3       1.3400      2.00000
      4       3.5395      2.00000
      5       6.0837      1.69975
      6       8.0138      0.00000
      7       8.4366      0.00000
      8       9.2139      0.00000
      9      10.6962      0.00000
     10      10.9768      0.00000
     11      11.7551      0.00000
     12      13.9296      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7813      2.00000
      2       0.3754      2.00000
      3       1.3942      2.00000
      4       3.0891      2.00000
      5       6.4749      0.20334
      6       7.5987      0.00000
      7       8.5594      0.00000
      8       9.5823      0.00000
      9      10.1446      0.00000
     10      10.7934      0.00000
     11      11.6487      0.00000
     12      13.8572      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0658      2.00000
      2      -0.5646      2.00000
      3       5.2474      1.99992
      4       5.9956      1.86354
      5       6.3368      0.62130
      6       7.0978      0.00045
      7       7.6181      0.00000
      8       8.1156      0.00000
      9       8.6738      0.00000
     10      11.4458      0.00000
     11      13.1077      0.00000
     12      14.1379      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0133      2.00000
      2      -0.5217      2.00000
      3       5.2880      1.99988
      4       5.2970      1.99986
      5       6.1723      1.40028
      6       6.7916      0.00950
      7       8.3200      0.00000
      8       8.3826      0.00000
      9       9.0306      0.00000
     10      11.5706      0.00000
     11      12.3690      0.00000
     12      13.8876      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8559      2.00000
      2      -0.3946      2.00000
      3       4.2322      2.00000
      4       5.2825      1.99988
      5       5.5661      1.99801
      6       6.8022      0.00854
      7       8.5605      0.00000
      8       9.4193      0.00000
      9       9.9446      0.00000
     10      11.2844      0.00000
     11      11.9867      0.00000
     12      13.0388      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5950      2.00000
      2      -0.1890      2.00000
      3       3.1967      2.00000
      4       4.5164      2.00000
      5       5.7209      1.99066
      6       6.9989      0.00120
      7       8.8211      0.00000
      8       9.9963      0.00000
      9      10.3140      0.00000
     10      11.2955      0.00000
     11      11.8128      0.00000
     12      13.0891      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2338      2.00000
      2       0.0805      2.00000
      3       2.2424      2.00000
      4       3.7376      2.00000
      5       6.0527      1.77058
      6       7.2808      0.00007
      7       9.1575      0.00000
      8       9.3713      0.00000
      9      10.3104      0.00000
     10      11.0879      0.00000
     11      12.4033      0.00000
     12      12.8608      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7819      2.00000
      2       0.3756      2.00000
      3       1.3943      2.00000
      4       3.0896      2.00000
      5       6.4735      0.20602
      6       7.6018      0.00000
      7       8.5570      0.00000
      8       9.5802      0.00000
      9      10.1486      0.00000
     10      10.7929      0.00000
     11      11.6482      0.00000
     12      13.8581      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2968      2.00000
      2       0.5572      2.00000
      3       0.7577      2.00000
      4       2.6821      2.00000
      5       6.9189      0.00267
      6       7.8169      0.00000
      7       7.9631      0.00000
      8       9.7166      0.00000
      9      10.0874      0.00000
     10      10.8056      0.00000
     11      11.0561      0.00000
     12      13.7180      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2311      2.00000
      2       2.5804      2.00000
      3       3.0702      2.00000
      4       4.7238      2.00000
      5       6.4129      0.34777
      6       8.0438      0.00000
      7       8.6500      0.00000
      8       9.1578      0.00000
      9      10.4951      0.00000
     10      10.8493      0.00000
     11      11.8483      0.00000
     12      12.6355      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1815      2.00000
      2       2.6319      2.00000
      3       3.0692      2.00000
      4       4.1478      2.00000
      5       7.0930      0.00047
      6       8.0846      0.00000
      7       8.6992      0.00000
      8       9.0980      0.00000
      9       9.8209      0.00000
     10      10.4939      0.00000
     11      12.4852      0.00000
     12      13.1118      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0334      2.00000
      2       2.7863      2.00000
      3       2.7888      2.00000
      4       3.5479      2.00000
      5       8.1565      0.00000
      6       8.1627      0.00000
      7       8.8358      0.00000
      8       8.8533      0.00000
      9       8.8650      0.00000
     10      10.1787      0.00000
     11      13.0585      0.00000
     12      13.7797      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7898      2.00000
      2       1.9420      2.00000
      3       3.0428      2.00000
      4       3.6090      2.00000
      5       7.6306      0.00000
      6       7.9958      0.00000
      7       8.6139      0.00000
      8       9.0807      0.00000
      9       9.3103      0.00000
     10      10.6003      0.00000
     11      12.7732      0.00000
     12      13.6558      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4583      2.00000
      2       1.0645      2.00000
      3       3.3996      2.00000
      4       3.8491      2.00000
      5       6.7341      0.01681
      6       7.3072      0.00006
      7       8.9207      0.00000
      8       9.3947      0.00000
      9       9.6693      0.00000
     10      11.8376      0.00000
     11      12.0256      0.00000
     12      12.9287      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0619      2.00000
      2       0.2906      2.00000
      3       3.8512      2.00000
      4       4.1382      2.00000
      5       5.9000      1.94526
      6       6.6902      0.02596
      7       9.3565      0.00000
      8       9.6936      0.00000
      9       9.9389      0.00000
     10      11.2551      0.00000
     11      12.1543      0.00000
     12      12.9832      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6975      2.00000
      2      -0.2648      2.00000
      3       4.3560      2.00000
      4       4.3756      2.00000
      5       5.1946      1.99995
      6       6.2903      0.83510
      7       9.8281      0.00000
      8       9.8844      0.00000
      9      10.2698      0.00000
     10      10.5540      0.00000
     11      11.5920      0.00000
     12      12.9170      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7702      2.00000
      3       3.1257      2.00000
      4       4.9667      2.00000
      5       6.5710      0.08298
      6       7.9146      0.00000
      7       8.5934      0.00000
      8       9.6071      0.00000
      9      10.0265      0.00000
     10      10.9321      0.00000
     11      11.3361      0.00000
     12      12.6389      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8151      2.00000
      3       3.1482      2.00000
      4       4.3638      2.00000
      5       7.1906      0.00018
      6       8.0219      0.00000
      7       8.4981      0.00000
      8       9.1906      0.00000
      9       9.9005      0.00000
     10      10.6047      0.00000
     11      11.9379      0.00000
     12      13.1349      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       1.9397      2.00000
      3       3.0443      2.00000
      4       3.6099      2.00000
      5       7.6315      0.00000
      6       7.9947      0.00000
      7       8.6180      0.00000
      8       9.0831      0.00000
      9       9.3080      0.00000
     10      10.5959      0.00000
     11      12.7748      0.00000
     12      13.6574      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5452      2.00000
      2       1.9690      2.00000
      3       2.4555      2.00000
      4       3.6313      2.00000
      5       6.8651      0.00456
      6       7.9166      0.00000
      7       8.5397      0.00000
      8       9.1000      0.00000
      9      10.0708      0.00000
     10      10.9334      0.00000
     11      13.0606      0.00000
     12      13.0795      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2114      2.00000
      2       1.2640      2.00000
      3       2.6061      2.00000
      4       3.8880      2.00000
      5       6.0122      1.84096
      6       7.3182      0.00005
      7       8.6485      0.00000
      8       9.4150      0.00000
      9      10.6285      0.00000
     10      11.8692      0.00000
     11      12.3516      0.00000
     12      12.6886      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8105      2.00000
      2       0.5040      2.00000
      3       2.9795      2.00000
      4       4.1973      2.00000
      5       5.2618      1.99990
      6       6.6649      0.03330
      7       8.9723      0.00000
      8       9.7741      0.00000
      9      10.8986      0.00000
     10      11.3855      0.00000
     11      12.0341      0.00000
     12      13.5837      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4371      2.00000
      2      -0.0559      2.00000
      3       3.3417      2.00000
      4       4.4072      2.00000
      5       4.7656      2.00000
      6       6.2222      1.17236
      7       9.2547      0.00000
      8      10.1350      0.00000
      9      10.8068      0.00000
     10      11.1131      0.00000
     11      11.5721      0.00000
     12      13.5015      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6589      2.00000
      2       0.8858      2.00000
      3       3.4286      2.00000
      4       5.3023      1.99986
      5       6.4584      0.23563
      6       7.4688      0.00001
      7       8.6811      0.00000
      8       8.8182      0.00000
      9      10.6526      0.00000
     10      11.2451      0.00000
     11      11.4929      0.00000
     12      12.5267      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6087      2.00000
      2       0.9308      2.00000
      3       3.4595      2.00000
      4       4.6674      2.00000
      5       6.7383      0.01612
      6       7.8658      0.00000
      7       8.0787      0.00000
      8       9.1124      0.00000
      9      10.5314      0.00000
     10      11.1526      0.00000
     11      11.6956      0.00000
     12      12.8254      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4587      2.00000
      2       1.0626      2.00000
      3       3.4007      2.00000
      4       3.8498      2.00000
      5       6.7346      0.01672
      6       7.3072      0.00006
      7       8.9251      0.00000
      8       9.3961      0.00000
      9       9.6700      0.00000
     10      11.8295      0.00000
     11      12.0283      0.00000
     12      12.9319      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2116      2.00000
      2       1.2625      2.00000
      3       2.6079      2.00000
      4       3.8877      2.00000
      5       6.0127      1.84019
      6       7.3177      0.00005
      7       8.6493      0.00000
      8       9.4152      0.00000
      9      10.6338      0.00000
     10      11.8654      0.00000
     11      12.3495      0.00000
     12      12.6893      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8738      2.00000
      2       1.3446      2.00000
      3       1.9427      2.00000
      4       4.1188      2.00000
      5       5.2394      1.99992
      6       7.3380      0.00004
      7       8.0489      0.00000
      8       9.7310      0.00000
      9      11.2784      0.00000
     10      11.8843      0.00000
     11      12.5428      0.00000
     12      12.7912      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4653      2.00000
      2       0.7742      2.00000
      3       2.0904      2.00000
      4       4.1381      2.00000
      5       4.8449      2.00000
      6       6.8520      0.00520
      7       8.1226      0.00000
      8      10.0387      0.00000
      9      10.6851      0.00000
     10      11.9995      0.00000
     11      12.8460      0.00000
     12      13.3150      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0765      2.00000
      2       0.2191      2.00000
      3       2.3915      2.00000
      4       3.7750      2.00000
      5       5.0135      1.99999
      6       6.3852      0.43467
      7       8.3415      0.00000
      8      10.0597      0.00000
      9      10.5410      0.00000
     10      11.6769      0.00000
     11      13.0082      0.00000
     12      13.6647      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2660      2.00000
      2       0.1118      2.00000
      3       3.8126      2.00000
      4       5.7177      1.99095
      5       5.9135      1.93757
      6       7.5828      0.00000
      7       7.8675      0.00000
      8       8.9550      0.00000
      9      10.1184      0.00000
     10      11.6293      0.00000
     11      12.2072      0.00000
     12      12.8435      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2151      2.00000
      2       0.1566      2.00000
      3       3.8513      2.00000
      4       5.0246      1.99999
      5       6.0472      1.78142
      6       7.3031      0.00006
      7       8.2628      0.00000
      8       9.2720      0.00000
      9      10.4536      0.00000
     10      10.9450      0.00000
     11      12.3378      0.00000
     12      13.1471      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0627      2.00000
      2       0.2893      2.00000
      3       3.8518      2.00000
      4       4.1384      2.00000
      5       5.9011      1.94469
      6       6.6909      0.02578
      7       9.3605      0.00000
      8       9.6940      0.00000
      9       9.9399      0.00000
     10      11.2587      0.00000
     11      12.1590      0.00000
     12      12.9801      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5029      2.00000
      3       2.9810      2.00000
      4       4.1966      2.00000
      5       5.2628      1.99990
      6       6.6652      0.03320
      7       8.9725      0.00000
      8       9.7735      0.00000
      9      10.9034      0.00000
     10      11.3885      0.00000
     11      12.0364      0.00000
     12      13.5802      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7734      2.00000
      3       2.0913      2.00000
      4       4.1384      2.00000
      5       4.8447      2.00000
      6       6.8526      0.00517
      7       8.1222      0.00000
      8      10.0382      0.00000
      9      10.6863      0.00000
     10      12.0022      0.00000
     11      12.8507      0.00000
     12      13.3128      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0432      2.00000
      2       0.9249      2.00000
      3       1.4706      2.00000
      4       3.5897      2.00000
      5       5.0875      1.99998
      6       6.9426      0.00211
      7       7.5403      0.00001
      8       9.8497      0.00000
      9      10.6263      0.00000
     10      12.2750      0.00000
     11      12.9051      0.00000
     12      14.0766      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6253      2.00000
      2       0.5227      2.00000
      3       1.5455      2.00000
      4       3.1494      2.00000
      5       5.4296      1.99949
      6       6.6085      0.05782
      7       7.5323      0.00001
      8       9.4969      0.00000
      9      10.9390      0.00000
     10      11.9946      0.00000
     11      12.9250      0.00000
     12      14.5575      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9085      2.00000
      2      -0.4383      2.00000
      3       4.1809      2.00000
      4       5.4033      1.99961
      5       6.1410      1.52283
      6       7.2445      0.00010
      7       7.8013      0.00000
      8       8.9619      0.00000
      9       9.8240      0.00000
     10      11.9830      0.00000
     11      11.9862      0.00000
     12      13.3947      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8560      2.00000
      2      -0.3947      2.00000
      3       4.2283      2.00000
      4       5.2827      1.99988
      5       5.5679      1.99797
      6       6.8054      0.00828
      7       8.5671      0.00000
      8       9.4186      0.00000
      9       9.9397      0.00000
     10      11.2849      0.00000
     11      11.9843      0.00000
     12      13.0387      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6989      2.00000
      2      -0.2656      2.00000
      3       4.3612      2.00000
      4       4.3693      2.00000
      5       5.1973      1.99995
      6       6.2916      0.82890
      7       9.8293      0.00000
      8       9.8865      0.00000
      9      10.2687      0.00000
     10      10.5590      0.00000
     11      11.5990      0.00000
     12      12.9173      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4383      2.00000
      2      -0.0564      2.00000
      3       3.3427      2.00000
      4       4.4071      2.00000
      5       4.7659      2.00000
      6       6.2234      1.16661
      7       9.2542      0.00000
      8      10.1319      0.00000
      9      10.8121      0.00000
     10      11.1159      0.00000
     11      11.5781      0.00000
     12      13.5063      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0774      2.00000
      2       0.2189      2.00000
      3       2.3920      2.00000
      4       3.7761      2.00000
      5       5.0121      1.99999
      6       6.3868      0.42915
      7       8.3404      0.00000
      8      10.0597      0.00000
      9      10.5419      0.00000
     10      11.6789      0.00000
     11      13.0143      0.00000
     12      13.6627      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6259      2.00000
      2       0.5229      2.00000
      3       1.5455      2.00000
      4       3.1500      2.00000
      5       5.4285      1.99950
      6       6.6106      0.05664
      7       7.5307      0.00001
      8       9.4975      0.00000
      9      10.9385      0.00000
     10      11.9964      0.00000
     11      12.9235      0.00000
     12      14.5615      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1409      2.00000
      2       0.7142      2.00000
      3       0.9102      2.00000
      4       2.7419      2.00000
      5       5.8752      1.95703
      6       6.7433      0.01534
      7       6.9296      0.00240
      8       9.1451      0.00000
      9      11.3842      0.00000
     10      12.1292      0.00000
     11      12.3483      0.00000
     12      14.6342      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7595      2.00000
      3       2.3749      2.00000
      4       5.2095      1.99994
      5       6.3590      0.53041
      6       7.4642      0.00001
      7       9.7098      0.00000
      8       9.7335      0.00000
      9      10.0258      0.00000
     10      10.3529      0.00000
     11      11.2983      0.00000
     12      12.4491      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8115      2.00000
      3       2.4030      2.00000
      4       4.5768      2.00000
      5       6.6588      0.03537
      6       7.9192      0.00000
      7       8.9572      0.00000
      8       9.4195      0.00000
      9       9.9064      0.00000
     10      10.6817      0.00000
     11      11.9789      0.00000
     12      12.8252      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5454      2.00000
      2       1.9672      2.00000
      3       2.4548      2.00000
      4       3.6341      2.00000
      5       6.8630      0.00466
      6       7.9185      0.00000
      7       8.5420      0.00000
      8       9.1051      0.00000
      9      10.0663      0.00000
     10      10.9309      0.00000
     11      13.0636      0.00000
     12      13.0813      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2994      2.00000
      2       2.2258      2.00000
      3       2.2278      2.00000
      4       3.0640      2.00000
      5       6.8987      0.00326
      6       6.9002      0.00322
      7       7.9365      0.00000
      8      10.3152      0.00000
      9      10.3217      0.00000
     10      11.1705      0.00000
     11      12.3439      0.00000
     12      13.7439      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       1.4826      2.00000
      3       2.5857      2.00000
      4       3.1524      2.00000
      5       5.9564      1.90576
      6       6.5457      0.10560
      7       7.8193      0.00000
      8      10.6578      0.00000
      9      10.8592      0.00000
     10      11.3758      0.00000
     11      12.5478      0.00000
     12      13.5712      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5588      2.00000
      2       0.7253      2.00000
      3       3.0416      2.00000
      4       3.3928      2.00000
      5       5.1070      1.99998
      6       6.0269      1.81793
      7       8.0345      0.00000
      8      10.4492      0.00000
      9      11.0944      0.00000
     10      11.5088      0.00000
     11      12.9334      0.00000
     12      13.9416      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1772      2.00000
      2       0.1595      2.00000
      3       3.5569      2.00000
      4       3.5921      2.00000
      5       4.3914      2.00000
      6       5.6730      1.99420
      7       8.2579      0.00000
      8      10.0642      0.00000
      9      11.5995      0.00000
     10      11.6325      0.00000
     11      12.2850      0.00000
     12      14.0115      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0745      2.00000
      3       2.4669      2.00000
      4       5.5448      1.99839
      5       5.7113      1.99151
      6       7.5461      0.00001
      7       8.9143      0.00000
      8      10.0103      0.00000
      9      10.2111      0.00000
     10      11.0956      0.00000
     11      11.4312      0.00000
     12      12.6279      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1220      2.00000
      3       2.5049      2.00000
      4       4.8543      2.00000
      5       5.9051      1.94247
      6       8.0973      0.00000
      7       8.3559      0.00000
      8       9.6033      0.00000
      9      10.3421      0.00000
     10      11.5424      0.00000
     11      11.7833      0.00000
     12      12.8249      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2621      2.00000
      3       2.6055      2.00000
      4       3.8907      2.00000
      5       6.0107      1.84308
      6       7.3204      0.00005
      7       8.6502      0.00000
      8       9.4212      0.00000
      9      10.6271      0.00000
     10      11.8655      0.00000
     11      12.3519      0.00000
     12      12.6912      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       1.4811      2.00000
      3       2.5866      2.00000
      4       3.1530      2.00000
      5       5.9562      1.90587
      6       6.5461      0.10525
      7       7.8200      0.00000
      8      10.6637      0.00000
      9      10.8587      0.00000
     10      11.3751      0.00000
     11      12.5423      0.00000
     12      13.5736      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6247      2.00000
      2       1.6044      2.00000
      3       2.0817      2.00000
      4       3.2274      2.00000
      5       5.3114      1.99984
      6       6.3066      0.75707
      7       7.2560      0.00009
      8      10.3485      0.00000
      9      11.2280      0.00000
     10      12.2116      0.00000
     11      13.0125      0.00000
     12      13.9501      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2131      2.00000
      2       1.0101      2.00000
      3       2.2958      2.00000
      4       3.5076      2.00000
      5       4.5844      2.00000
      6       5.9181      1.93477
      7       7.2067      0.00015
      8       9.7514      0.00000
      9      11.6141      0.00000
     10      12.7704      0.00000
     11      13.6205      0.00000
     12      14.2428      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8172      2.00000
      2       0.4448      2.00000
      3       2.6375      2.00000
      4       3.7131      2.00000
      5       4.0839      2.00000
      6       5.5490      1.99832
      7       7.3387      0.00004
      8       9.3725      0.00000
      9      11.9776      0.00000
     10      12.8725      0.00000
     11      13.3014      0.00000
     12      14.9032      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0147      2.00000
      2       0.3196      2.00000
      3       2.8111      2.00000
      4       5.0234      1.99999
      5       5.9598      1.90266
      6       7.8139      0.00000
      7       8.1069      0.00000
      8       9.7734      0.00000
      9      10.5938      0.00000
     10      11.1171      0.00000
     11      12.1670      0.00000
     12      12.9274      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       0.3658      2.00000
      3       2.8546      2.00000
      4       4.9218      2.00000
      5       5.4900      1.99907
      6       7.5319      0.00001
      7       8.5282      0.00000
      8       9.9330      0.00000
      9      10.3458      0.00000
     10      11.2547      0.00000
     11      12.3487      0.00000
     12      12.8042      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8113      2.00000
      2       0.5027      2.00000
      3       2.9782      2.00000
      4       4.1994      2.00000
      5       5.2614      1.99991
      6       6.6677      0.03241
      7       8.9732      0.00000
      8       9.7802      0.00000
      9      10.8973      0.00000
     10      11.3905      0.00000
     11      12.0368      0.00000
     12      13.5787      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5595      2.00000
      2       0.7243      2.00000
      3       3.0419      2.00000
      4       3.3931      2.00000
      5       5.1077      1.99998
      6       6.0277      1.81663
      7       8.0349      0.00000
      8      10.4510      0.00000
      9      11.0982      0.00000
     10      11.5106      0.00000
     11      12.9371      0.00000
     12      13.9334      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2135      2.00000
      2       1.0094      2.00000
      3       2.2967      2.00000
      4       3.5072      2.00000
      5       4.5849      2.00000
      6       5.9185      1.93448
      7       7.2065      0.00015
      8       9.7521      0.00000
      9      11.6140      0.00000
     10      12.7760      0.00000
     11      13.6225      0.00000
     12      14.2362      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7892      2.00000
      2       1.1855      2.00000
      3       1.6794      2.00000
      4       3.5573      2.00000
      5       4.2321      2.00000
      6       5.9062      1.94187
      7       6.6354      0.04447
      8       9.1743      0.00000
      9      12.0183      0.00000
     10      13.6288      0.00000
     11      14.2005      0.00000
     12      14.3546      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3666      2.00000
      2       0.7647      2.00000
      3       1.7955      2.00000
      4       3.2305      2.00000
      5       4.4132      2.00000
      6       5.6380      1.99591
      7       6.5259      0.12735
      8       8.8328      0.00000
      9      12.3990      0.00000
     10      13.3716      0.00000
     11      14.3276      0.00000
     12      14.8135      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6477      2.00000
      2      -0.2341      2.00000
      3       3.1442      2.00000
      4       4.5138      2.00000
      5       6.3822      0.44474
      6       7.4860      0.00001
      7       8.0618      0.00000
      8       9.4711      0.00000
      9      10.9535      0.00000
     10      11.2465      0.00000
     11      12.3666      0.00000
     12      12.4813      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5953      2.00000
      2      -0.1894      2.00000
      3       3.1934      2.00000
      4       4.5144      2.00000
      5       5.7250      1.99026
      6       7.0024      0.00116
      7       8.8277      0.00000
      8       9.9999      0.00000
      9      10.3153      0.00000
     10      11.2875      0.00000
     11      11.8125      0.00000
     12      13.0871      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4385      2.00000
      2      -0.0566      2.00000
      3       3.3395      2.00000
      4       4.4073      2.00000
      5       4.7678      2.00000
      6       6.2255      1.15641
      7       9.2549      0.00000
      8      10.1391      0.00000
      9      10.8147      0.00000
     10      11.1138      0.00000
     11      11.5727      0.00000
     12      13.5026      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1784      2.00000
      2       0.1590      2.00000
      3       3.5583      2.00000
      4       3.5895      2.00000
      5       4.3936      2.00000
      6       5.6742      1.99413
      7       8.2577      0.00000
      8      10.0665      0.00000
      9      11.6033      0.00000
     10      11.6335      0.00000
     11      12.2902      0.00000
     12      14.0143      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8181      2.00000
      2       0.4447      2.00000
      3       2.6379      2.00000
      4       3.7127      2.00000
      5       4.0845      2.00000
      6       5.5502      1.99830
      7       7.3381      0.00004
      8       9.3739      0.00000
      9      11.9763      0.00000
     10      12.8767      0.00000
     11      13.3070      0.00000
     12      14.9080      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3672      2.00000
      2       0.7650      2.00000
      3       1.7954      2.00000
      4       3.2310      2.00000
      5       4.4125      2.00000
      6       5.6394      1.99585
      7       6.5249      0.12850
      8       8.8333      0.00000
      9      12.3980      0.00000
     10      13.3746      0.00000
     11      14.3255      0.00000
     12      14.8189      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1178      2.00000
      2       0.9751      2.00000
      3       1.1623      2.00000
      4       2.8317      2.00000
      5       4.8510      2.00000
      6       5.7048      1.99204
      7       5.9164      1.93581
      8       8.5253      0.00000
      9      12.8458      0.00000
     10      13.5708      0.00000
     11      13.7763      0.00000
     12      15.8091      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0759      2.00000
      2       1.1343      2.00000
      3       1.7977      2.00000
      4       4.9112      2.00000
      5       5.8799      1.95502
      6       7.8039      0.00000
      7       9.1203      0.00000
      8       9.3981      0.00000
      9      10.4746      0.00000
     10      11.3206      0.00000
     11      11.9531      0.00000
     12      12.7755      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       1.1865      2.00000
      3       1.8352      2.00000
      4       4.8113      2.00000
      5       5.4361      1.99946
      6       8.4028      0.00000
      7       8.4352      0.00000
      8       8.9575      0.00000
      9      11.1901      0.00000
     10      11.8098      0.00000
     11      12.0719      0.00000
     12      12.1200      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8743      2.00000
      2       1.3430      2.00000
      3       1.9417      2.00000
      4       4.1213      2.00000
      5       5.2382      1.99992
      6       7.3402      0.00004
      7       8.0509      0.00000
      8       9.7376      0.00000
      9      11.2792      0.00000
     10      11.8809      0.00000
     11      12.5414      0.00000
     12      12.7949      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6250      2.00000
      2       1.6029      2.00000
      3       2.0812      2.00000
      4       3.2294      2.00000
      5       5.3101      1.99985
      6       6.3081      0.74992
      7       7.2571      0.00009
      8      10.3497      0.00000
      9      11.2344      0.00000
     10      12.2069      0.00000
     11      13.0095      0.00000
     12      13.9542      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2831      2.00000
      2       1.9645      2.00000
      3       1.9659      2.00000
      4       2.6957      2.00000
      5       5.3554      1.99976
      6       5.3564      1.99975
      7       6.6485      0.03912
      8       9.6516      0.00000
      9      12.5600      0.00000
     10      12.5670      0.00000
     11      13.5057      0.00000
     12      14.7054      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8660      2.00000
      2       1.3216      2.00000
      3       2.4225      2.00000
      4       2.8153      2.00000
      5       4.5015      2.00000
      6       5.1995      1.99995
      7       6.4034      0.37584
      8       9.0742      0.00000
      9      12.9860      0.00000
     10      13.3073      0.00000
     11      14.6432      0.00000
     12      14.6787      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4579      2.00000
      2       0.7468      2.00000
      3       2.9404      2.00000
      4       2.9963      2.00000
      5       3.7827      2.00000
      6       4.9655      2.00000
      7       6.4156      0.34009
      8       8.7346      0.00000
      9      13.4625      0.00000
     10      13.5739      0.00000
     11      14.1415      0.00000
     12      15.4894      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6700      2.00000
      2       0.5795      2.00000
      3       1.9133      2.00000
      4       4.2058      2.00000
      5       6.2943      0.81565
      6       8.1295      0.00000
      7       8.4311      0.00000
      8       9.6667      0.00000
      9      10.1370      0.00000
     10      11.5195      0.00000
     11      11.9936      0.00000
     12      12.4914      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6189      2.00000
      2       0.6281      2.00000
      3       1.9578      2.00000
      4       4.2132      2.00000
      5       5.7039      1.99211
      6       7.8242      0.00000
      7       8.8264      0.00000
      8       9.0870      0.00000
      9      10.8257      0.00000
     10      11.4683      0.00000
     11      12.1851      0.00000
     12      12.6100      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4662      2.00000
      2       0.7728      2.00000
      3       2.0891      2.00000
      4       4.1382      2.00000
      5       4.8464      2.00000
      6       6.8552      0.00504
      7       8.1236      0.00000
      8      10.0443      0.00000
      9      10.6882      0.00000
     10      12.0044      0.00000
     11      12.8452      0.00000
     12      13.3167      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.0089      2.00000
      3       2.2948      2.00000
      4       3.5092      2.00000
      5       4.5841      2.00000
      6       5.9202      1.93342
      7       7.2072      0.00015
      8       9.7529      0.00000
      9      11.6212      0.00000
     10      12.7698      0.00000
     11      13.6255      0.00000
     12      14.2369      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8664      2.00000
      2       1.3209      2.00000
      3       2.4226      2.00000
      4       2.8155      2.00000
      5       4.5018      2.00000
      6       5.2001      1.99995
      7       6.4035      0.37563
      8       9.0749      0.00000
      9      12.9912      0.00000
     10      13.3073      0.00000
     11      14.6471      0.00000
     12      14.6715      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4391      2.00000
      2       1.5479      2.00000
      3       1.9396      2.00000
      4       2.9878      2.00000
      5       4.0280      2.00000
      6       4.9511      2.00000
      7       5.8206      1.97487
      8       8.5481      0.00000
      9      13.5357      0.00000
     10      14.5140      0.00000
     11      15.1224      0.00000
     12      15.2209      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0081      2.00000
      2       1.0934      2.00000
      3       2.1386      2.00000
      4       3.2181      2.00000
      5       3.5678      2.00000
      6       4.7723      2.00000
      7       5.6004      1.99719
      8       8.2516      0.00000
      9      13.9402      0.00000
     10      14.7561      0.00000
     11      15.1589      0.00000
     12      15.7478      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0332      2.00000
      3       2.1896      2.00000
      4       3.7185      2.00000
      5       6.7165      0.02001
      6       7.8149      0.00000
      7       8.4146      0.00000
      8       9.7718      0.00000
      9      10.0268      0.00000
     10      11.4261      0.00000
     11      11.6724      0.00000
     12      12.7822      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2343      2.00000
      2       0.0798      2.00000
      3       2.2398      2.00000
      4       3.7361      2.00000
      5       6.0567      1.76241
      6       7.2842      0.00007
      7       9.1638      0.00000
      8       9.3734      0.00000
      9      10.3151      0.00000
     10      11.0895      0.00000
     11      12.4074      0.00000
     12      12.8516      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0779      2.00000
      2       0.2183      2.00000
      3       2.3895      2.00000
      4       3.7749      2.00000
      5       5.0154      1.99999
      6       6.3893      0.42092
      7       8.3417      0.00000
      8      10.0619      0.00000
      9      10.5486      0.00000
     10      11.6833      0.00000
     11      13.0052      0.00000
     12      13.6674      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8184      2.00000
      2       0.4443      2.00000
      3       2.6356      2.00000
      4       3.7130      2.00000
      5       4.0860      2.00000
      6       5.5516      1.99827
      7       7.3388      0.00004
      8       9.3746      0.00000
      9      11.9842      0.00000
     10      12.8786      0.00000
     11      13.3002      0.00000
     12      14.9039      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4589      2.00000
      2       0.7467      2.00000
      3       2.9406      2.00000
      4       2.9947      2.00000
      5       3.7847      2.00000
      6       4.9665      2.00000
      7       6.4154      0.34062
      8       8.7358      0.00000
      9      13.4664      0.00000
     10      13.5744      0.00000
     11      14.1476      0.00000
     12      15.4930      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0087      2.00000
      2       1.0938      2.00000
      3       2.1383      2.00000
      4       3.2175      2.00000
      5       3.5686      2.00000
      6       4.7732      2.00000
      7       5.5999      1.99720
      8       8.2521      0.00000
      9      13.9389      0.00000
     10      14.7605      0.00000
     11      15.1641      0.00000
     12      15.7455      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4769      2.00000
      2       1.3379      2.00000
      3       1.5087      2.00000
      4       2.9334      2.00000
      5       3.9091      2.00000
      6       4.7480      2.00000
      7       4.9837      1.99999
      8       7.9861      0.00000
      9      14.3853      0.00000
     10      15.0527      0.00000
     11      15.2604      0.00000
     12      16.3979      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2489      2.00000
      2       0.7141      2.00000
      3       1.2944      2.00000
      4       3.5175      2.00000
      5       6.7093      0.02149
      6       8.5056      0.00000
      7       8.7272      0.00000
      8       8.9525      0.00000
      9      10.1893      0.00000
     10      11.0432      0.00000
     11      11.1932      0.00000
     12      13.5225      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1976      2.00000
      2       0.7665      2.00000
      3       1.3387      2.00000
      4       3.5385      2.00000
      5       6.0872      1.69076
      6       8.0167      0.00000
      7       8.4394      0.00000
      8       9.2197      0.00000
      9      10.6990      0.00000
     10      10.9820      0.00000
     11      11.7595      0.00000
     12      13.9560      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0440      2.00000
      2       0.9234      2.00000
      3       1.4693      2.00000
      4       3.5889      2.00000
      5       5.0902      1.99998
      6       6.9449      0.00206
      7       7.5423      0.00001
      8       9.8522      0.00000
      9      10.6322      0.00000
     10      12.2807      0.00000
     11      12.9102      0.00000
     12      14.0707      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7899      2.00000
      2       1.1842      2.00000
      3       1.6784      2.00000
      4       3.5575      2.00000
      5       4.2334      2.00000
      6       5.9078      1.94092
      7       6.6367      0.04389
      8       9.1755      0.00000
      9      12.0256      0.00000
     10      13.6338      0.00000
     11      14.2054      0.00000
     12      14.3501      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4395      2.00000
      2       1.5468      2.00000
      3       1.9391      2.00000
      4       2.9891      2.00000
      5       4.0276      2.00000
      6       4.9522      2.00000
      7       5.8212      1.97472
      8       8.5487      0.00000
      9      13.5435      0.00000
     10      14.5100      0.00000
     11      15.1260      0.00000
     12      15.2180      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0058      2.00000
      2       2.0055      2.00000
      3       2.0065      2.00000
      4       2.4581      2.00000
      5       4.0941      2.00000
      6       4.0948      2.00000
      7       5.1641      1.99996
      8       8.0776      0.00000
      9      14.9588      0.00000
     10      14.9660      0.00000
     11      15.8101      0.00000
     12      15.9440      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4415      2.00000
      2       1.4843      2.00000
      3       2.5239      2.00000
      4       2.5931      2.00000
      5       3.3751      2.00000
      6       4.1209      2.00000
      7       4.7848      2.00000
      8       7.8208      0.00000
      9      15.4042      0.00000
     10      15.6078      0.00000
     11      15.9875      0.00000
     12      16.8419      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8349      2.00000
      2       0.3250      2.00000
      3       1.3416      2.00000
      4       3.0672      2.00000
      5       7.1338      0.00031
      6       8.2075      0.00000
      7       8.8526      0.00000
      8       9.2149      0.00000
      9       9.9525      0.00000
     10      10.6239      0.00000
     11      10.9022      0.00000
     12      13.4438      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7828      2.00000
      2       0.3744      2.00000
      3       1.3922      2.00000
      4       3.0888      2.00000
      5       6.4771      0.19942
      6       7.6049      0.00000
      7       8.5595      0.00000
      8       9.5862      0.00000
      9      10.1519      0.00000
     10      10.7974      0.00000
     11      11.6530      0.00000
     12      13.8612      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6267      2.00000
      2       0.5218      2.00000
      3       1.5436      2.00000
      4       3.1492      2.00000
      5       5.4315      1.99948
      6       6.6130      0.05535
      7       7.5326      0.00001
      8       9.4995      0.00000
      9      10.9453      0.00000
     10      12.0020      0.00000
     11      12.9291      0.00000
     12      14.5525      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3678      2.00000
      2       0.7641      2.00000
      3       1.7936      2.00000
      4       3.2305      2.00000
      5       4.4148      2.00000
      6       5.6411      1.99578
      7       6.5261      0.12705
      8       8.8345      0.00000
      9      12.4056      0.00000
     10      13.3806      0.00000
     11      14.3316      0.00000
     12      14.8093      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0091      2.00000
      2       1.0933      2.00000
      3       2.1369      2.00000
      4       3.2179      2.00000
      5       3.5697      2.00000
      6       4.7740      2.00000
      7       5.6005      1.99719
      8       8.2526      0.00000
      9      13.9473      0.00000
     10      14.7649      0.00000
     11      15.1559      0.00000
     12      15.7516      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4408      2.00000
      2       1.4848      2.00000
      3       2.5236      2.00000
      4       2.5919      2.00000
      5       3.3769      2.00000
      6       4.1210      2.00000
      7       4.7848      2.00000
      8       7.8211      0.00000
      9      15.4085      0.00000
     10      15.6072      0.00000
     11      15.9931      0.00000
     12      16.8445      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9285      2.00000
      2       1.7970      2.00000
      3       1.9328      2.00000
      4       2.9387      2.00000
      5       3.1602      2.00000
      6       3.8898      2.00000
      7       4.1582      2.00000
      8       7.5890      0.00000
      9      15.9365      0.00000
     10      16.4655      0.00000
     11      16.7183      0.00000
     12      16.8067      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3502      2.00000
      2       0.5031      2.00000
      3       0.7050      2.00000
      4       2.6609      2.00000
      5       7.5723      0.00000
      6       8.5305      0.00000
      7       8.6144      0.00000
      8       9.3234      0.00000
      9      10.0129      0.00000
     10      10.0601      0.00000
     11      10.2908      0.00000
     12      13.3391      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2981      2.00000
      2       0.5556      2.00000
      3       0.7561      2.00000
      4       2.6818      2.00000
      5       6.9221      0.00258
      6       7.8199      0.00000
      7       7.9660      0.00000
      8       9.7198      0.00000
      9      10.0929      0.00000
     10      10.8110      0.00000
     11      11.0614      0.00000
     12      13.7223      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1421      2.00000
      2       0.7128      2.00000
      3       0.9087      2.00000
      4       2.7417      2.00000
      5       5.8777      1.95595
      6       6.7457      0.01498
      7       6.9319      0.00234
      8       9.1474      0.00000
      9      11.3906      0.00000
     10      12.1352      0.00000
     11      12.3543      0.00000
     12      14.6395      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1168      2.00000
      2       0.9738      2.00000
      3       1.1610      2.00000
      4       2.8317      2.00000
      5       4.8529      2.00000
      6       5.7065      1.99190
      7       5.9180      1.93480
      8       8.5268      0.00000
      9      12.8530      0.00000
     10      13.5775      0.00000
     11      13.7830      0.00000
     12      15.8153      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4760      2.00000
      2       1.3369      2.00000
      3       1.5077      2.00000
      4       2.9336      2.00000
      5       3.9104      2.00000
      6       4.7491      2.00000
      7       4.9847      1.99999
      8       7.9869      0.00000
      9      14.3933      0.00000
     10      15.0599      0.00000
     11      15.2677      0.00000
     12      16.3913      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9281      2.00000
      2       1.7963      2.00000
      3       1.9322      2.00000
      4       2.9392      2.00000
      5       3.1607      2.00000
      6       3.8903      2.00000
      7       4.1586      2.00000
      8       7.5893      0.00000
      9      15.9447      0.00000
     10      16.4717      0.00000
     11      16.7253      0.00000
     12      16.8005      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4251      2.00000
      2       2.3137      2.00000
      3       2.3145      2.00000
      4       2.3716      2.00000
      5       3.1703      2.00000
      6       3.1726      2.00000
      7       3.4990      2.00000
      8       7.3772      0.00003
      9      17.2570      0.00000
     10      17.2636      0.00000
     11      17.4554      0.00000
     12      17.9448      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5751      2.00000
      2       3.6402      2.00000
      3       4.3788      2.00000
      4       4.3815      2.00000
      5       5.6036      1.99710
      6       6.1542      1.47339
      7       7.8004      0.00000
      8      11.5720      0.00000
      9      11.5751      0.00000
     10      12.1682      0.00000
     11      12.8543      0.00000
     12      12.9959      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5257      2.00000
      2       3.5647      2.00000
      3       3.8389      2.00000
      4       4.4279      2.00000
      5       5.9306      1.92637
      6       6.5068      0.15213
      7       7.9538      0.00000
      8      10.8380      0.00000
      9      11.4725      0.00000
     10      11.8609      0.00000
     11      12.3590      0.00000
     12      12.8468      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3785      2.00000
      2       2.6480      2.00000
      3       3.8801      2.00000
      4       4.5746      2.00000
      5       6.1418      1.52008
      6       7.1334      0.00031
      7       8.6230      0.00000
      8       9.8293      0.00000
      9      10.5003      0.00000
     10      11.7900      0.00000
     11      11.8427      0.00000
     12      12.8788      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1365      2.00000
      2       1.6630      2.00000
      3       4.1146      2.00000
      4       4.8178      2.00000
      5       6.3861      0.43168
      6       7.4359      0.00002
      7       8.8234      0.00000
      8       9.4696      0.00000
      9       9.9070      0.00000
     10      10.9703      0.00000
     11      12.0608      0.00000
     12      12.5121      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8078      2.00000
      2       0.7610      2.00000
      3       4.4440      2.00000
      4       5.1538      1.99997
      5       6.6753      0.03006
      6       7.5841      0.00000
      7       8.0346      0.00000
      8       8.5372      0.00000
      9      10.1167      0.00000
     10      11.3467      0.00000
     11      12.1105      0.00000
     12      12.3896      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4173      2.00000
      2      -0.0164      2.00000
      3       4.8487      2.00000
      4       5.5699      1.99793
      5       6.7495      0.01443
      6       7.4434      0.00001
      7       7.7217      0.00000
      8       7.8882      0.00000
      9       9.3414      0.00000
     10      11.6142      0.00000
     11      12.7640      0.00000
     12      13.0929      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0644      2.00000
      2      -0.5637      2.00000
      3       5.2501      1.99992
      4       5.9944      1.86506
      5       6.3347      0.63001
      6       7.0939      0.00046
      7       7.6150      0.00000
      8       8.1148      0.00000
      9       8.6716      0.00000
     10      11.4416      0.00000
     11      13.1072      0.00000
     12      14.1379      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4281      2.00000
      2       2.6118      2.00000
      3       4.5255      2.00000
      4       4.5282      2.00000
      5       5.7619      1.98596
      6       6.7600      0.01300
      7       8.5690      0.00000
      8      10.4559      0.00000
      9      10.4582      0.00000
     10      11.4050      0.00000
     11      12.8117      0.00000
     12      12.9979      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6445      2.00000
      3       3.8842      2.00000
      4       4.5745      2.00000
      5       6.1433      1.51433
      6       7.1355      0.00031
      7       8.6182      0.00000
      8       9.8297      0.00000
      9      10.4967      0.00000
     10      11.7889      0.00000
     11      11.8465      0.00000
     12      12.8828      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2310      2.00000
      2       2.5822      2.00000
      3       3.0714      2.00000
      4       4.7212      2.00000
      5       6.4058      0.36870
      6       8.0494      0.00000
      7       8.6523      0.00000
      8       9.1593      0.00000
      9      10.4941      0.00000
     10      10.8475      0.00000
     11      11.8464      0.00000
     12      12.6304      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9882      2.00000
      2       1.7728      2.00000
      3       3.1260      2.00000
      4       4.9642      2.00000
      5       6.5647      0.08816
      6       7.9152      0.00000
      7       8.5953      0.00000
      8       9.6063      0.00000
      9      10.0336      0.00000
     10      10.9276      0.00000
     11      11.3344      0.00000
     12      12.6361      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6583      2.00000
      2       0.8879      2.00000
      3       3.4292      2.00000
      4       5.3000      1.99986
      5       6.4561      0.24032
      6       7.4646      0.00001
      7       8.6803      0.00000
      8       8.8192      0.00000
      9      10.6485      0.00000
     10      11.2434      0.00000
     11      11.4999      0.00000
     12      12.5287      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2651      2.00000
      2       0.1132      2.00000
      3       3.8139      2.00000
      4       5.7157      1.99112
      5       5.9132      1.93778
      6       7.5745      0.00000
      7       7.8685      0.00000
      8       8.9539      0.00000
      9      10.1158      0.00000
     10      11.6253      0.00000
     11      12.2102      0.00000
     12      12.8456      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9071      2.00000
      2      -0.4374      2.00000
      3       4.1832      2.00000
      4       5.4021      1.99961
      5       6.1398      1.52724
      6       7.2406      0.00011
      7       7.7978      0.00000
      8       8.9568      0.00000
      9       9.8249      0.00000
     10      11.9605      0.00000
     11      12.0047      0.00000
     12      13.3864      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6187      2.00000
      3       4.7685      2.00000
      4       4.7714      2.00000
      5       6.0246      1.82173
      6       7.0452      0.00075
      7       9.4192      0.00000
      8       9.4223      0.00000
      9       9.8389      0.00000
     10      10.5252      0.00000
     11      12.3295      0.00000
     12      13.2315      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6600      2.00000
      3       4.1187      2.00000
      4       4.8175      2.00000
      5       6.3875      0.42679
      6       7.4397      0.00001
      7       8.8242      0.00000
      8       9.4666      0.00000
      9       9.8996      0.00000
     10      10.9700      0.00000
     11      12.0649      0.00000
     12      12.5141      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9884      2.00000
      2       1.7701      2.00000
      3       3.1292      2.00000
      4       4.9641      2.00000
      5       6.5649      0.08803
      6       7.9164      0.00000
      7       8.5997      0.00000
      8       9.6035      0.00000
      9      10.0270      0.00000
     10      10.9309      0.00000
     11      11.3336      0.00000
     12      12.6391      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7443      2.00000
      2       1.7611      2.00000
      3       2.3762      2.00000
      4       5.2069      1.99995
      5       6.3573      0.53701
      6       7.4602      0.00001
      7       9.7086      0.00000
      8       9.7395      0.00000
      9      10.0232      0.00000
     10      10.3542      0.00000
     11      11.2967      0.00000
     12      12.4435      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4118      2.00000
      2       1.0765      2.00000
      3       2.4676      2.00000
      4       5.5422      1.99843
      5       5.7118      1.99146
      6       7.5395      0.00001
      7       8.9134      0.00000
      8      10.0090      0.00000
      9      10.2090      0.00000
     10      11.0957      0.00000
     11      11.4335      0.00000
     12      12.6262      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0137      2.00000
      2       0.3211      2.00000
      3       2.8124      2.00000
      4       5.0235      1.99999
      5       5.9578      1.90446
      6       7.8058      0.00000
      7       8.1073      0.00000
      8       9.7680      0.00000
      9      10.5926      0.00000
     10      11.1183      0.00000
     11      12.1642      0.00000
     12      12.9216      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6462      2.00000
      2      -0.2332      2.00000
      3       3.1462      2.00000
      4       4.5131      2.00000
      5       6.3809      0.44929
      6       7.4821      0.00001
      7       8.0582      0.00000
      8       9.4637      0.00000
      9      10.9527      0.00000
     10      11.2490      0.00000
     11      12.3589      0.00000
     12      12.4829      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8586      2.00000
      2       0.7150      2.00000
      3       5.1042      1.99998
      4       5.1075      1.99998
      5       6.3900      0.41849
      6       7.2201      0.00013
      7       8.4865      0.00000
      8       8.4877      0.00000
      9       9.6529      0.00000
     10      11.2270      0.00000
     11      12.0123      0.00000
     12      13.5413      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8085      2.00000
      2       0.7586      2.00000
      3       4.4478      2.00000
      4       5.1532      1.99997
      5       6.6762      0.02980
      6       7.5886      0.00000
      7       8.0358      0.00000
      8       8.5348      0.00000
      9      10.1173      0.00000
     10      11.3389      0.00000
     11      12.1117      0.00000
     12      12.3933      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6588      2.00000
      2       0.8857      2.00000
      3       3.4323      2.00000
      4       5.2996      1.99986
      5       6.4568      0.23888
      6       7.4651      0.00001
      7       8.6781      0.00000
      8       8.8244      0.00000
      9      10.6481      0.00000
     10      11.2466      0.00000
     11      11.4927      0.00000
     12      12.5324      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0747      2.00000
      3       2.4699      2.00000
      4       5.5420      1.99843
      5       5.7124      1.99142
      6       7.5394      0.00001
      7       8.9113      0.00000
      8      10.0127      0.00000
      9      10.2114      0.00000
     10      11.0980      0.00000
     11      11.4287      0.00000
     12      12.6249      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0753      2.00000
      2       1.1356      2.00000
      3       1.7991      2.00000
      4       4.9121      2.00000
      5       5.8773      1.95613
      6       7.7971      0.00000
      7       9.1194      0.00000
      8       9.3952      0.00000
      9      10.4730      0.00000
     10      11.3165      0.00000
     11      11.9582      0.00000
     12      12.7251      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6689      2.00000
      2       0.5809      2.00000
      3       1.9145      2.00000
      4       4.2061      2.00000
      5       6.2921      0.82628
      6       8.1223      0.00000
      7       8.4303      0.00000
      8       9.6634      0.00000
      9      10.1341      0.00000
     10      11.5118      0.00000
     11      11.9934      0.00000
     12      12.4953      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2850      2.00000
      2       0.0340      2.00000
      3       2.1915      2.00000
      4       3.7182      2.00000
      5       6.7150      0.02030
      6       7.8110      0.00000
      7       8.4109      0.00000
      8       9.7625      0.00000
      9      10.0276      0.00000
     10      11.4210      0.00000
     11      11.6716      0.00000
     12      12.7867      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4693      2.00000
      2      -0.0620      2.00000
      3       5.5200      1.99874
      4       5.5239      1.99869
      5       6.8545      0.00507
      6       7.3448      0.00004
      7       7.6712      0.00000
      8       7.6726      0.00000
      9       8.8358      0.00000
     10      11.4241      0.00000
     11      13.1300      0.00000
     12      13.8897      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0181      2.00000
      3       4.8522      2.00000
      4       5.5690      1.99795
      5       6.7509      0.01423
      6       7.4450      0.00001
      7       7.7200      0.00000
      8       7.8916      0.00000
      9       9.3433      0.00000
     10      11.6157      0.00000
     11      12.7674      0.00000
     12      13.0848      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2660      2.00000
      2       0.1116      2.00000
      3       3.8167      2.00000
      4       5.7149      1.99119
      5       5.9148      1.93679
      6       7.5740      0.00000
      7       7.8668      0.00000
      8       8.9579      0.00000
      9      10.1184      0.00000
     10      11.6280      0.00000
     11      12.2140      0.00000
     12      12.8420      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3197      2.00000
      3       2.8145      2.00000
      4       5.0246      1.99999
      5       5.9572      1.90503
      6       7.8052      0.00000
      7       8.1059      0.00000
      8       9.7692      0.00000
      9      10.5946      0.00000
     10      11.1240      0.00000
     11      12.1654      0.00000
     12      12.9230      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5799      2.00000
      3       1.9158      2.00000
      4       4.2067      2.00000
      5       6.2918      0.82806
      6       8.1218      0.00000
      7       8.4291      0.00000
      8       9.6647      0.00000
      9      10.1340      0.00000
     10      11.5127      0.00000
     11      11.9941      0.00000
     12      12.5023      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2479      2.00000
      2       0.7153      2.00000
      3       1.2958      2.00000
      4       3.5180      2.00000
      5       6.7067      0.02206
      6       8.4993      0.00000
      7       8.7263      0.00000
      8       8.9497      0.00000
      9      10.1867      0.00000
     10      11.0208      0.00000
     11      11.2071      0.00000
     12      13.5199      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8332      2.00000
      2       0.3258      2.00000
      3       1.3432      2.00000
      4       3.0670      2.00000
      5       7.1319      0.00032
      6       8.2034      0.00000
      7       8.8489      0.00000
      8       9.2141      0.00000
      9       9.9454      0.00000
     10      10.6187      0.00000
     11      10.9011      0.00000
     12      13.4383      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1185      2.00000
      2      -0.6075      2.00000
      3       5.9441      1.91618
      4       5.9494      1.91180
      5       7.0419      0.00078
      6       7.0453      0.00075
      7       7.4105      0.00002
      8       7.4191      0.00002
      9       8.1031      0.00000
     10      11.2714      0.00000
     11      14.1663      0.00000
     12      14.5265      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5648      2.00000
      3       5.2532      1.99991
      4       5.9930      1.86686
      5       6.3375      0.61809
      6       7.0928      0.00047
      7       7.6138      0.00000
      8       8.1187      0.00000
      9       8.6753      0.00000
     10      11.4436      0.00000
     11      13.1100      0.00000
     12      14.1400      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9085      2.00000
      2      -0.4384      2.00000
      3       4.1857      2.00000
      4       5.4044      1.99960
      5       6.1384      1.53204
      6       7.2396      0.00011
      7       7.7964      0.00000
      8       8.9589      0.00000
      9       9.8305      0.00000
     10      11.9635      0.00000
     11      12.0077      0.00000
     12      13.3976      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6474      2.00000
      2      -0.2340      2.00000
      3       3.1480      2.00000
      4       4.5148      2.00000
      5       6.3798      0.45334
      6       7.4813      0.00001
      7       8.0570      0.00000
      8       9.4644      0.00000
      9      10.9542      0.00000
     10      11.2558      0.00000
     11      12.3610      0.00000
     12      12.4851      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2860      2.00000
      2       0.0335      2.00000
      3       2.1926      2.00000
      4       3.7192      2.00000
      5       6.7141      0.02049
      6       7.8105      0.00000
      7       8.4099      0.00000
      8       9.7628      0.00000
      9      10.0284      0.00000
     10      11.4224      0.00000
     11      11.6726      0.00000
     12      12.7943      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8338      2.00000
      2       0.3256      2.00000
      3       1.3437      2.00000
      4       3.0675      2.00000
      5       7.1314      0.00032
      6       8.2033      0.00000
      7       8.8483      0.00000
      8       9.2144      0.00000
      9       9.9456      0.00000
     10      10.6194      0.00000
     11      10.9015      0.00000
     12      13.4391      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3483      2.00000
      2       0.5043      2.00000
      3       0.7060      2.00000
      4       2.6609      2.00000
      5       7.5695      0.00000
      6       8.5298      0.00000
      7       8.6110      0.00000
      8       9.3199      0.00000
      9      10.0100      0.00000
     10      10.0510      0.00000
     11      10.2892      0.00000
     12      13.3325      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3786      2.00000
      2       2.6443      2.00000
      3       3.8813      2.00000
      4       4.5772      2.00000
      5       6.1483      1.49598
      6       7.1309      0.00032
      7       8.6179      0.00000
      8       9.8277      0.00000
      9      10.4989      0.00000
     10      11.7939      0.00000
     11      11.8434      0.00000
     12      12.8806      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3291      2.00000
      2       2.6802      2.00000
      3       3.7677      2.00000
      4       4.1245      2.00000
      5       6.7057      0.02226
      6       7.2990      0.00006
      7       8.6627      0.00000
      8       9.6990      0.00000
      9      10.0532      0.00000
     10      11.1948      0.00000
     11      12.2571      0.00000
     12      13.2423      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1814      2.00000
      2       2.6337      2.00000
      3       3.0701      2.00000
      4       4.1452      2.00000
      5       7.0863      0.00050
      6       8.0902      0.00000
      7       8.7014      0.00000
      8       9.0993      0.00000
      9       9.8187      0.00000
     10      10.4939      0.00000
     11      12.4832      0.00000
     12      13.1072      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9384      2.00000
      2       1.8176      2.00000
      3       3.1483      2.00000
      4       4.3612      2.00000
      5       7.1858      0.00019
      6       8.0211      0.00000
      7       8.4996      0.00000
      8       9.1911      0.00000
      9       9.9027      0.00000
     10      10.6065      0.00000
     11      11.9347      0.00000
     12      13.1327      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6081      2.00000
      2       0.9329      2.00000
      3       3.4600      2.00000
      4       4.6649      2.00000
      5       6.7381      0.01616
      6       7.8597      0.00000
      7       8.0784      0.00000
      8       9.1134      0.00000
      9      10.5291      0.00000
     10      11.1505      0.00000
     11      11.7028      0.00000
     12      12.8250      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2141      2.00000
      2       0.1580      2.00000
      3       3.8524      2.00000
      4       5.0225      1.99999
      5       6.0469      1.78212
      6       7.3009      0.00006
      7       8.2577      0.00000
      8       9.2725      0.00000
      9      10.4497      0.00000
     10      10.9436      0.00000
     11      12.3363      0.00000
     12      13.1522      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8546      2.00000
      2      -0.3939      2.00000
      3       4.2306      2.00000
      4       5.2818      1.99988
      5       5.5656      1.99802
      6       6.8029      0.00848
      7       8.5628      0.00000
      8       9.4155      0.00000
      9       9.9389      0.00000
     10      11.2852      0.00000
     11      11.9776      0.00000
     12      13.0396      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6600      2.00000
      3       4.1155      2.00000
      4       4.8203      2.00000
      5       6.3923      0.41089
      6       7.4348      0.00002
      7       8.8224      0.00000
      8       9.4692      0.00000
      9       9.8990      0.00000
     10      10.9720      0.00000
     11      12.0678      0.00000
     12      12.5053      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0871      2.00000
      2       1.7019      2.00000
      3       4.0198      2.00000
      4       4.3377      2.00000
      5       6.9479      0.00200
      6       7.5960      0.00000
      7       8.6971      0.00000
      8       9.0936      0.00000
      9       9.9690      0.00000
     10      11.3759      0.00000
     11      11.4266      0.00000
     12      12.7771      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9386      2.00000
      2       1.8149      2.00000
      3       3.1515      2.00000
      4       4.3610      2.00000
      5       7.1860      0.00018
      6       8.0222      0.00000
      7       8.5023      0.00000
      8       9.1898      0.00000
      9       9.9003      0.00000
     10      10.6058      0.00000
     11      11.9336      0.00000
     12      13.1366      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6943      2.00000
      2       1.8130      2.00000
      3       2.4042      2.00000
      4       4.5740      2.00000
      5       6.6592      0.03522
      6       7.9131      0.00000
      7       8.9563      0.00000
      8       9.4185      0.00000
      9       9.9115      0.00000
     10      10.6840      0.00000
     11      11.9759      0.00000
     12      12.8188      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3615      2.00000
      2       1.1240      2.00000
      3       2.5056      2.00000
      4       4.8519      2.00000
      5       5.9057      1.94214
      6       8.0911      0.00000
      7       8.3541      0.00000
      8       9.6017      0.00000
      9      10.3432      0.00000
     10      11.5414      0.00000
     11      11.7865      0.00000
     12      12.8187      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9628      2.00000
      2       0.3672      2.00000
      3       2.8558      2.00000
      4       4.9212      2.00000
      5       5.4885      1.99908
      6       7.5294      0.00001
      7       8.5229      0.00000
      8       9.9310      0.00000
      9      10.3434      0.00000
     10      11.2535      0.00000
     11      12.3456      0.00000
     12      12.8031      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5939      2.00000
      2      -0.1886      2.00000
      3       3.1954      2.00000
      4       4.5137      2.00000
      5       5.7232      1.99044
      6       6.9995      0.00119
      7       8.8234      0.00000
      8       9.9933      0.00000
      9      10.3139      0.00000
     10      11.2902      0.00000
     11      11.8076      0.00000
     12      13.0911      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8085      2.00000
      2       0.7585      2.00000
      3       4.4444      2.00000
      4       5.1563      1.99997
      5       6.6810      0.02843
      6       7.5824      0.00000
      7       8.0364      0.00000
      8       8.5360      0.00000
      9      10.1186      0.00000
     10      11.3385      0.00000
     11      12.1159      0.00000
     12      12.3853      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7583      2.00000
      2       0.8025      2.00000
      3       4.3698      2.00000
      4       4.6352      2.00000
      5       7.2183      0.00013
      6       7.6034      0.00000
      7       7.8487      0.00000
      8       8.4802      0.00000
      9      10.5652      0.00000
     10      11.3328      0.00000
     11      11.6505      0.00000
     12      12.4242      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6086      2.00000
      2       0.9306      2.00000
      3       3.4632      2.00000
      4       4.6645      2.00000
      5       6.7390      0.01601
      6       7.8587      0.00000
      7       8.0789      0.00000
      8       9.1177      0.00000
      9      10.5314      0.00000
     10      11.1494      0.00000
     11      11.6961      0.00000
     12      12.8282      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1221      2.00000
      3       2.5078      2.00000
      4       4.8517      2.00000
      5       5.9062      1.94187
      6       8.0902      0.00000
      7       8.3532      0.00000
      8       9.6038      0.00000
      9      10.3484      0.00000
     10      11.5397      0.00000
     11      11.7820      0.00000
     12      12.8196      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0248      2.00000
      2       1.1878      2.00000
      3       1.8365      2.00000
      4       4.8111      2.00000
      5       5.4345      1.99946
      6       8.4048      0.00000
      7       8.4238      0.00000
      8       8.9570      0.00000
      9      11.1893      0.00000
     10      11.8059      0.00000
     11      12.0779      0.00000
     12      12.1155      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6179      2.00000
      2       0.6295      2.00000
      3       1.9590      2.00000
      4       4.2135      2.00000
      5       5.7016      1.99229
      6       7.8215      0.00000
      7       8.8206      0.00000
      8       9.0861      0.00000
      9      10.8200      0.00000
     10      11.4650      0.00000
     11      12.1832      0.00000
     12      12.6128      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2328      2.00000
      2       0.0805      2.00000
      3       2.2416      2.00000
      4       3.7357      2.00000
      5       6.0549      1.76614
      6       7.2809      0.00007
      7       9.1595      0.00000
      8       9.3733      0.00000
      9      10.3051      0.00000
     10      11.0885      0.00000
     11      12.4046      0.00000
     12      12.8554      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4183      2.00000
      2      -0.0181      2.00000
      3       4.8485      2.00000
      4       5.5726      1.99787
      5       6.7514      0.01416
      6       7.4488      0.00001
      7       7.7199      0.00000
      8       7.8882      0.00000
      9       9.3436      0.00000
     10      11.6148      0.00000
     11      12.7655      0.00000
     12      13.0854      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3674      2.00000
      2       0.0260      2.00000
      3       4.8106      2.00000
      4       4.9854      1.99999
      5       6.8231      0.00694
      6       7.2132      0.00014
      7       7.8659      0.00000
      8       8.3025      0.00000
      9       9.7571      0.00000
     10      11.6900      0.00000
     11      12.0905      0.00000
     12      13.2296      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2150      2.00000
      2       0.1564      2.00000
      3       3.8553      2.00000
      4       5.0218      1.99999
      5       6.0483      1.77939
      6       7.2997      0.00006
      7       8.2575      0.00000
      8       9.2771      0.00000
      9      10.4512      0.00000
     10      10.9463      0.00000
     11      12.3392      0.00000
     12      13.1460      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9635      2.00000
      2       0.3658      2.00000
      3       2.8579      2.00000
      4       4.9219      2.00000
      5       5.4883      1.99908
      6       7.5282      0.00001
      7       8.5224      0.00000
      8       9.9327      0.00000
      9      10.3459      0.00000
     10      11.2577      0.00000
     11      12.3471      0.00000
     12      12.8038      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6183      2.00000
      2       0.6284      2.00000
      3       1.9603      2.00000
      4       4.2140      2.00000
      5       5.7013      1.99232
      6       7.8206      0.00000
      7       8.8204      0.00000
      8       9.0871      0.00000
      9      10.8197      0.00000
     10      11.4662      0.00000
     11      12.1846      0.00000
     12      12.6185      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.1965      2.00000
      2       0.7676      2.00000
      3       1.3400      2.00000
      4       3.5389      2.00000
      5       6.0845      1.69764
      6       8.0144      0.00000
      7       8.4374      0.00000
      8       9.2145      0.00000
      9      10.6951      0.00000
     10      10.9775      0.00000
     11      11.7565      0.00000
     12      13.9307      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7811      2.00000
      2       0.3752      2.00000
      3       1.3938      2.00000
      4       3.0886      2.00000
      5       6.4752      0.20282
      6       7.6011      0.00000
      7       8.5589      0.00000
      8       9.5831      0.00000
      9      10.1440      0.00000
     10      10.7948      0.00000
     11      11.6493      0.00000
     12      13.8558      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5649      2.00000
      3       5.2487      1.99992
      4       5.9980      1.86055
      5       6.3361      0.62409
      6       7.0944      0.00046
      7       7.6182      0.00000
      8       8.1167      0.00000
      9       8.6731      0.00000
     10      11.4426      0.00000
     11      13.1103      0.00000
     12      14.1413      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0134      2.00000
      2      -0.5220      2.00000
      3       5.2838      1.99988
      4       5.3042      1.99985
      5       6.1701      1.40941
      6       6.7912      0.00953
      7       8.3207      0.00000
      8       8.3833      0.00000
      9       9.0288      0.00000
     10      11.5677      0.00000
     11      12.3708      0.00000
     12      13.8878      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8560      2.00000
      2      -0.3949      2.00000
      3       4.2330      2.00000
      4       5.2827      1.99988
      5       5.5654      1.99802
      6       6.8025      0.00852
      7       8.5615      0.00000
      8       9.4184      0.00000
      9       9.9436      0.00000
     10      11.2875      0.00000
     11      11.9810      0.00000
     12      13.0419      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.5951      2.00000
      2      -0.1894      2.00000
      3       3.1972      2.00000
      4       4.5153      2.00000
      5       5.7220      1.99055
      6       6.9990      0.00120
      7       8.8222      0.00000
      8       9.9941      0.00000
      9      10.3154      0.00000
     10      11.2968      0.00000
     11      11.8102      0.00000
     12      13.0952      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2337      2.00000
      2       0.0800      2.00000
      3       2.2427      2.00000
      4       3.7368      2.00000
      5       6.0539      1.76806
      6       7.2806      0.00007
      7       9.1586      0.00000
      8       9.3742      0.00000
      9      10.3052      0.00000
     10      11.0900      0.00000
     11      12.4056      0.00000
     12      12.8629      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7817      2.00000
      2       0.3750      2.00000
      3       1.3943      2.00000
      4       3.0891      2.00000
      5       6.4746      0.20385
      6       7.6011      0.00000
      7       8.5592      0.00000
      8       9.5826      0.00000
      9      10.1442      0.00000
     10      10.7953      0.00000
     11      11.6496      0.00000
     12      13.8569      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.2962      2.00000
      2       0.5567      2.00000
      3       0.7570      2.00000
      4       2.6818      2.00000
      5       6.9197      0.00265
      6       7.8175      0.00000
      7       7.9638      0.00000
      8       9.7170      0.00000
      9      10.0882      0.00000
     10      10.8066      0.00000
     11      11.0563      0.00000
     12      13.7153      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7698      2.00000
      3       3.1264      2.00000
      4       4.9668      2.00000
      5       6.5708      0.08315
      6       7.9146      0.00000
      7       8.5937      0.00000
      8       9.6059      0.00000
      9      10.0267      0.00000
     10      10.9333      0.00000
     11      11.3348      0.00000
     12      12.6408      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8146      2.00000
      3       3.1489      2.00000
      4       4.3639      2.00000
      5       7.1902      0.00018
      6       8.0219      0.00000
      7       8.4985      0.00000
      8       9.1896      0.00000
      9       9.9007      0.00000
     10      10.6057      0.00000
     11      11.9366      0.00000
     12      13.1360      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7900      2.00000
      2       1.9392      2.00000
      3       3.0447      2.00000
      4       3.6102      2.00000
      5       7.6299      0.00000
      6       7.9958      0.00000
      7       8.6174      0.00000
      8       9.0838      0.00000
      9       9.3085      0.00000
     10      10.5962      0.00000
     11      12.7736      0.00000
     12      13.6555      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5452      2.00000
      2       1.9686      2.00000
      3       2.4556      2.00000
      4       3.6318      2.00000
      5       6.8641      0.00461
      6       7.9175      0.00000
      7       8.5394      0.00000
      8       9.1003      0.00000
      9      10.0716      0.00000
     10      10.9331      0.00000
     11      13.0667      0.00000
     12      13.0730      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2114      2.00000
      2       1.2640      2.00000
      3       2.6059      2.00000
      4       3.8885      2.00000
      5       6.0114      1.84213
      6       7.3192      0.00005
      7       8.6483      0.00000
      8       9.4151      0.00000
      9      10.6291      0.00000
     10      11.8689      0.00000
     11      12.3515      0.00000
     12      12.6892      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8104      2.00000
      2       0.5040      2.00000
      3       2.9792      2.00000
      4       4.1977      2.00000
      5       5.2611      1.99991
      6       6.6660      0.03295
      7       8.9721      0.00000
      8       9.7743      0.00000
      9      10.8987      0.00000
     10      11.3849      0.00000
     11      12.0349      0.00000
     12      13.5850      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4371      2.00000
      2      -0.0559      2.00000
      3       3.3415      2.00000
      4       4.4069      2.00000
      5       4.7654      2.00000
      6       6.2234      1.16649
      7       9.2546      0.00000
      8      10.1354      0.00000
      9      10.8057      0.00000
     10      11.1139      0.00000
     11      11.5720      0.00000
     12      13.5025      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6589      2.00000
      2       0.8855      2.00000
      3       3.4293      2.00000
      4       5.3026      1.99986
      5       6.4580      0.23644
      6       7.4690      0.00001
      7       8.6796      0.00000
      8       8.8186      0.00000
      9      10.6518      0.00000
     10      11.2466      0.00000
     11      11.4930      0.00000
     12      12.5267      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6087      2.00000
      2       0.9305      2.00000
      3       3.4602      2.00000
      4       4.6676      2.00000
      5       6.7380      0.01618
      6       7.8656      0.00000
      7       8.0783      0.00000
      8       9.1125      0.00000
      9      10.5324      0.00000
     10      11.1517      0.00000
     11      11.6962      0.00000
     12      12.8231      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4588      2.00000
      2       1.0622      2.00000
      3       3.4012      2.00000
      4       3.8502      2.00000
      5       6.7337      0.01687
      6       7.3072      0.00006
      7       8.9243      0.00000
      8       9.3976      0.00000
      9       9.6710      0.00000
     10      11.8296      0.00000
     11      12.0269      0.00000
     12      12.9297      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2117      2.00000
      2       1.2620      2.00000
      3       2.6081      2.00000
      4       3.8883      2.00000
      5       6.0118      1.84154
      6       7.3179      0.00005
      7       8.6502      0.00000
      8       9.4153      0.00000
      9      10.6349      0.00000
     10      11.8643      0.00000
     11      12.3485      0.00000
     12      12.6896      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8739      2.00000
      2       1.3442      2.00000
      3       1.9429      2.00000
      4       4.1193      2.00000
      5       5.2387      1.99992
      6       7.3386      0.00004
      7       8.0495      0.00000
      8       9.7311      0.00000
      9      11.2779      0.00000
     10      11.8860      0.00000
     11      12.5416      0.00000
     12      12.7920      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4653      2.00000
      2       0.7740      2.00000
      3       2.0901      2.00000
      4       4.1379      2.00000
      5       4.8450      2.00000
      6       6.8531      0.00514
      7       8.1226      0.00000
      8      10.0389      0.00000
      9      10.6849      0.00000
     10      12.0007      0.00000
     11      12.8466      0.00000
     12      13.3145      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0764      2.00000
      2       0.2189      2.00000
      3       2.3912      2.00000
      4       3.7744      2.00000
      5       5.0137      1.99999
      6       6.3866      0.42970
      7       8.3413      0.00000
      8      10.0595      0.00000
      9      10.5417      0.00000
     10      11.6777      0.00000
     11      13.0078      0.00000
     12      13.6652      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2661      2.00000
      2       0.1115      2.00000
      3       3.8134      2.00000
      4       5.7186      1.99087
      5       5.9132      1.93774
      6       7.5828      0.00000
      7       7.8654      0.00000
      8       8.9555      0.00000
      9      10.1182      0.00000
     10      11.6312      0.00000
     11      12.2042      0.00000
     12      12.8466      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2151      2.00000
      2       0.1563      2.00000
      3       3.8521      2.00000
      4       5.0251      1.99999
      5       6.0470      1.78188
      6       7.3019      0.00006
      7       8.2629      0.00000
      8       9.2723      0.00000
      9      10.4528      0.00000
     10      10.9467      0.00000
     11      12.3350      0.00000
     12      13.1467      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0628      2.00000
      2       0.2890      2.00000
      3       3.8524      2.00000
      4       4.1389      2.00000
      5       5.9001      1.94518
      6       6.6906      0.02585
      7       9.3598      0.00000
      8       9.6959      0.00000
      9       9.9413      0.00000
     10      11.2571      0.00000
     11      12.1561      0.00000
     12      12.9813      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5026      2.00000
      3       2.9813      2.00000
      4       4.1972      2.00000
      5       5.2618      1.99990
      6       6.6652      0.03320
      7       8.9740      0.00000
      8       9.7739      0.00000
      9      10.9048      0.00000
     10      11.3853      0.00000
     11      12.0366      0.00000
     12      13.5799      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7730      2.00000
      3       2.0915      2.00000
      4       4.1382      2.00000
      5       4.8448      2.00000
      6       6.8525      0.00518
      7       8.1237      0.00000
      8      10.0387      0.00000
      9      10.6853      0.00000
     10      12.0024      0.00000
     11      12.8518      0.00000
     12      13.3139      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0431      2.00000
      2       0.9245      2.00000
      3       1.4706      2.00000
      4       3.5892      2.00000
      5       5.0880      1.99998
      6       6.9429      0.00210
      7       7.5411      0.00001
      8       9.8496      0.00000
      9      10.6267      0.00000
     10      12.2762      0.00000
     11      12.9054      0.00000
     12      14.0780      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6251      2.00000
      2       0.5224      2.00000
      3       1.5451      2.00000
      4       3.1490      2.00000
      5       5.4300      1.99949
      6       6.6099      0.05701
      7       7.5320      0.00001
      8       9.4970      0.00000
      9      10.9399      0.00000
     10      11.9958      0.00000
     11      12.9252      0.00000
     12      14.5572      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4385      2.00000
      3       4.1819      2.00000
      4       5.4029      1.99961
      5       6.1433      1.51456
      6       7.2410      0.00011
      7       7.8013      0.00000
      8       8.9621      0.00000
      9       9.8246      0.00000
     10      11.9832      0.00000
     11      11.9858      0.00000
     12      13.3964      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8561      2.00000
      2      -0.3950      2.00000
      3       4.2293      2.00000
      4       5.2834      1.99988
      5       5.5679      1.99797
      6       6.8035      0.00843
      7       8.5674      0.00000
      8       9.4186      0.00000
      9       9.9396      0.00000
     10      11.2883      0.00000
     11      11.9788      0.00000
     12      13.0395      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.6989      2.00000
      2      -0.2659      2.00000
      3       4.3565      2.00000
      4       4.3763      2.00000
      5       5.1954      1.99995
      6       6.2912      0.83079
      7       9.8300      0.00000
      8       9.8874      0.00000
      9      10.2720      0.00000
     10      10.5566      0.00000
     11      11.5945      0.00000
     12      12.9186      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4383      2.00000
      2      -0.0568      2.00000
      3       3.3432      2.00000
      4       4.4075      2.00000
      5       4.7650      2.00000
      6       6.2233      1.16707
      7       9.2562      0.00000
      8      10.1344      0.00000
      9      10.8066      0.00000
     10      11.1180      0.00000
     11      11.5773      0.00000
     12      13.5065      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0774      2.00000
      2       0.2184      2.00000
      3       2.3924      2.00000
      4       3.7754      2.00000
      5       5.0128      1.99999
      6       6.3865      0.43019
      7       8.3422      0.00000
      8      10.0603      0.00000
      9      10.5408      0.00000
     10      11.6786      0.00000
     11      13.0152      0.00000
     12      13.6662      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6257      2.00000
      2       0.5223      2.00000
      3       1.5456      2.00000
      4       3.1495      2.00000
      5       5.4294      1.99949
      6       6.6100      0.05695
      7       7.5323      0.00001
      8       9.4974      0.00000
      9      10.9393      0.00000
     10      11.9963      0.00000
     11      12.9255      0.00000
     12      14.5645      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1403      2.00000
      2       0.7137      2.00000
      3       0.9096      2.00000
      4       2.7416      2.00000
      5       5.8760      1.95666
      6       6.7437      0.01528
      7       6.9299      0.00239
      8       9.1453      0.00000
      9      11.3856      0.00000
     10      12.1302      0.00000
     11      12.3487      0.00000
     12      14.6315      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4125      2.00000
      2       1.0742      2.00000
      3       2.4674      2.00000
      4       5.5450      1.99838
      5       5.7112      1.99151
      6       7.5461      0.00001
      7       8.9126      0.00000
      8      10.0103      0.00000
      9      10.2127      0.00000
     10      11.0949      0.00000
     11      11.4318      0.00000
     12      12.6291      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1217      2.00000
      3       2.5054      2.00000
      4       4.8544      2.00000
      5       5.9051      1.94248
      6       8.0969      0.00000
      7       8.3551      0.00000
      8       9.6046      0.00000
      9      10.3423      0.00000
     10      11.5416      0.00000
     11      11.7832      0.00000
     12      12.8262      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2618      2.00000
      3       2.6060      2.00000
      4       3.8907      2.00000
      5       6.0106      1.84324
      6       7.3195      0.00005
      7       8.6513      0.00000
      8       9.4211      0.00000
      9      10.6277      0.00000
     10      11.8647      0.00000
     11      12.3511      0.00000
     12      12.6908      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       1.4806      2.00000
      3       2.5871      2.00000
      4       3.1531      2.00000
      5       5.9557      1.90638
      6       6.5459      0.10543
      7       7.8209      0.00000
      8      10.6619      0.00000
      9      10.8614      0.00000
     10      11.3743      0.00000
     11      12.5421      0.00000
     12      13.5725      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6247      2.00000
      2       1.6039      2.00000
      3       2.0820      2.00000
      4       3.2277      2.00000
      5       5.3106      1.99984
      6       6.3071      0.75504
      7       7.2565      0.00009
      8      10.3484      0.00000
      9      11.2279      0.00000
     10      12.2128      0.00000
     11      13.0117      0.00000
     12      13.9510      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2130      2.00000
      2       1.0100      2.00000
      3       2.2956      2.00000
      4       3.5080      2.00000
      5       4.5838      2.00000
      6       5.9188      1.93431
      7       7.2067      0.00015
      8       9.7513      0.00000
      9      11.6144      0.00000
     10      12.7709      0.00000
     11      13.6215      0.00000
     12      14.2423      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8171      2.00000
      2       0.4447      2.00000
      3       2.6372      2.00000
      4       3.7130      2.00000
      5       4.0839      2.00000
      6       5.5498      1.99831
      7       7.3386      0.00004
      8       9.3725      0.00000
      9      11.9783      0.00000
     10      12.8731      0.00000
     11      13.3010      0.00000
     12      14.9046      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0148      2.00000
      2       0.3193      2.00000
      3       2.8117      2.00000
      4       5.0233      1.99999
      5       5.9605      1.90196
      6       7.8139      0.00000
      7       8.1047      0.00000
      8       9.7731      0.00000
      9      10.5959      0.00000
     10      11.1176      0.00000
     11      12.1683      0.00000
     12      12.9267      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9638      2.00000
      2       0.3655      2.00000
      3       2.8552      2.00000
      4       4.9218      2.00000
      5       5.4904      1.99906
      6       7.5303      0.00001
      7       8.5284      0.00000
      8       9.9346      0.00000
      9      10.3455      0.00000
     10      11.2548      0.00000
     11      12.3473      0.00000
     12      12.8051      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8113      2.00000
      2       0.5024      2.00000
      3       2.9788      2.00000
      4       4.1997      2.00000
      5       5.2612      1.99991
      6       6.6666      0.03276
      7       8.9749      0.00000
      8       9.7804      0.00000
      9      10.8986      0.00000
     10      11.3879      0.00000
     11      12.0362      0.00000
     12      13.5772      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5595      2.00000
      2       0.7239      2.00000
      3       3.0426      2.00000
      4       3.3932      2.00000
      5       5.1069      1.99998
      6       6.0273      1.81734
      7       8.0363      0.00000
      8      10.4507      0.00000
      9      11.0982      0.00000
     10      11.5110      0.00000
     11      12.9357      0.00000
     12      13.9336      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2134      2.00000
      2       1.0089      2.00000
      3       2.2970      2.00000
      4       3.5077      2.00000
      5       4.5840      2.00000
      6       5.9184      1.93453
      7       7.2077      0.00015
      8       9.7519      0.00000
      9      11.6142      0.00000
     10      12.7769      0.00000
     11      13.6222      0.00000
     12      14.2357      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7892      2.00000
      2       1.1850      2.00000
      3       1.6795      2.00000
      4       3.5572      2.00000
      5       4.2321      2.00000
      6       5.9065      1.94167
      7       6.6359      0.04424
      8       9.1743      0.00000
      9      12.0189      0.00000
     10      13.6302      0.00000
     11      14.2006      0.00000
     12      14.3557      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3664      2.00000
      2       0.7645      2.00000
      3       1.7950      2.00000
      4       3.2302      2.00000
      5       4.4136      2.00000
      6       5.6389      1.99587
      7       6.5257      0.12760
      8       8.8329      0.00000
      9      12.3998      0.00000
     10      13.3732      0.00000
     11      14.3275      0.00000
     12      14.8132      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6478      2.00000
      2      -0.2343      2.00000
      3       3.1449      2.00000
      4       4.5136      2.00000
      5       6.3844      0.43737
      6       7.4824      0.00001
      7       8.0617      0.00000
      8       9.4706      0.00000
      9      10.9565      0.00000
     10      11.2480      0.00000
     11      12.3649      0.00000
     12      12.4856      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.5954      2.00000
      2      -0.1896      2.00000
      3       3.1942      2.00000
      4       4.5142      2.00000
      5       5.7262      1.99015
      6       7.0001      0.00119
      7       8.8280      0.00000
      8       9.9994      0.00000
      9      10.3169      0.00000
     10      11.2896      0.00000
     11      11.8094      0.00000
     12      13.0900      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4385      2.00000
      2      -0.0569      2.00000
      3       3.3404      2.00000
      4       4.4080      2.00000
      5       4.7671      2.00000
      6       6.2242      1.16277
      7       9.2570      0.00000
      8      10.1411      0.00000
      9      10.8103      0.00000
     10      11.1150      0.00000
     11      11.5719      0.00000
     12      13.5018      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1784      2.00000
      2       0.1586      2.00000
      3       3.5574      2.00000
      4       3.5923      2.00000
      5       4.3919      2.00000
      6       5.6738      1.99416
      7       8.2595      0.00000
      8      10.0659      0.00000
      9      11.6024      0.00000
     10      11.6354      0.00000
     11      12.2882      0.00000
     12      14.0137      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8180      2.00000
      2       0.4442      2.00000
      3       2.6383      2.00000
      4       3.7133      2.00000
      5       4.0835      2.00000
      6       5.5499      1.99830
      7       7.3396      0.00004
      8       9.3735      0.00000
      9      11.9773      0.00000
     10      12.8757      0.00000
     11      13.3073      0.00000
     12      14.9101      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3670      2.00000
      2       0.7643      2.00000
      3       1.7955      2.00000
      4       3.2306      2.00000
      5       4.4130      2.00000
      6       5.6391      1.99587
      7       6.5260      0.12720
      8       8.8332      0.00000
      9      12.3992      0.00000
     10      13.3738      0.00000
     11      14.3279      0.00000
     12      14.8206      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1184      2.00000
      2       0.9746      2.00000
      3       1.1617      2.00000
      4       2.8314      2.00000
      5       4.8519      2.00000
      6       5.7051      1.99201
      7       5.9164      1.93580
      8       8.5254      0.00000
      9      12.8472      0.00000
     10      13.5719      0.00000
     11      13.7770      0.00000
     12      15.8059      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6700      2.00000
      2       0.5792      2.00000
      3       1.9137      2.00000
      4       4.2057      2.00000
      5       6.2949      0.81314
      6       8.1295      0.00000
      7       8.4287      0.00000
      8       9.6690      0.00000
      9      10.1364      0.00000
     10      11.5206      0.00000
     11      11.9931      0.00000
     12      12.4925      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6189      2.00000
      2       0.6278      2.00000
      3       1.9583      2.00000
      4       4.2131      2.00000
      5       5.7043      1.99208
      6       7.8224      0.00000
      7       8.8270      0.00000
      8       9.0885      0.00000
      9      10.8242      0.00000
     10      11.4687      0.00000
     11      12.1862      0.00000
     12      12.6109      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4662      2.00000
      2       0.7724      2.00000
      3       2.0896      2.00000
      4       4.1383      2.00000
      5       4.8465      2.00000
      6       6.8539      0.00510
      7       8.1251      0.00000
      8      10.0447      0.00000
      9      10.6874      0.00000
     10      12.0034      0.00000
     11      12.8457      0.00000
     12      13.3182      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.0085      2.00000
      3       2.2953      2.00000
      4       3.5094      2.00000
      5       4.5838      2.00000
      6       5.9194      1.93394
      7       7.2083      0.00015
      8       9.7527      0.00000
      9      11.6212      0.00000
     10      12.7702      0.00000
     11      13.6242      0.00000
     12      14.2369      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8664      2.00000
      2       1.3203      2.00000
      3       2.4234      2.00000
      4       2.8155      2.00000
      5       4.5012      2.00000
      6       5.2000      1.99995
      7       6.4042      0.37336
      8       9.0748      0.00000
      9      12.9903      0.00000
     10      13.3094      0.00000
     11      14.6453      0.00000
     12      14.6709      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4391      2.00000
      2       1.5473      2.00000
      3       1.9399      2.00000
      4       2.9882      2.00000
      5       4.0274      2.00000
      6       4.9515      2.00000
      7       5.8209      1.97480
      8       8.5481      0.00000
      9      13.5360      0.00000
     10      14.5154      0.00000
     11      15.1234      0.00000
     12      15.2193      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0079      2.00000
      2       1.0933      2.00000
      3       2.1381      2.00000
      4       3.2182      2.00000
      5       3.5680      2.00000
      6       4.7728      2.00000
      7       5.6003      1.99719
      8       8.2517      0.00000
      9      13.9409      0.00000
     10      14.7576      0.00000
     11      15.1585      0.00000
     12      15.7479      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2867      2.00000
      2       0.0329      2.00000
      3       2.1902      2.00000
      4       3.7184      2.00000
      5       6.7184      0.01963
      6       7.8111      0.00000
      7       8.4146      0.00000
      8       9.7711      0.00000
      9      10.0301      0.00000
     10      11.4246      0.00000
     11      11.6740      0.00000
     12      12.7853      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2344      2.00000
      2       0.0795      2.00000
      3       2.2404      2.00000
      4       3.7359      2.00000
      5       6.0578      1.76005
      6       7.2815      0.00007
      7       9.1639      0.00000
      8       9.3769      0.00000
      9      10.3118      0.00000
     10      11.0899      0.00000
     11      12.4091      0.00000
     12      12.8540      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0779      2.00000
      2       0.2179      2.00000
      3       2.3901      2.00000
      4       3.7747      2.00000
      5       5.0159      1.99999
      6       6.3875      0.42685
      7       8.3437      0.00000
      8      10.0626      0.00000
      9      10.5468      0.00000
     10      11.6821      0.00000
     11      13.0066      0.00000
     12      13.6704      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4439      2.00000
      3       2.6363      2.00000
      4       3.7138      2.00000
      5       4.0850      2.00000
      6       5.5505      1.99829
      7       7.3403      0.00004
      8       9.3742      0.00000
      9      11.9846      0.00000
     10      12.8770      0.00000
     11      13.3009      0.00000
     12      14.9039      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4588      2.00000
      2       0.7461      2.00000
      3       2.9408      2.00000
      4       2.9962      2.00000
      5       3.7830      2.00000
      6       4.9662      2.00000
      7       6.4165      0.33746
      8       8.7355      0.00000
      9      13.4661      0.00000
     10      13.5769      0.00000
     11      14.1451      0.00000
     12      15.4920      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0085      2.00000
      2       1.0930      2.00000
      3       2.1386      2.00000
      4       3.2183      2.00000
      5       3.5676      2.00000
      6       4.7732      2.00000
      7       5.6006      1.99719
      8       8.2520      0.00000
      9      13.9403      0.00000
     10      14.7593      0.00000
     11      15.1652      0.00000
     12      15.7485      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4774      2.00000
      2       1.3373      2.00000
      3       1.5082      2.00000
      4       2.9332      2.00000
      5       3.9099      2.00000
      6       4.7484      2.00000
      7       4.9835      1.99999
      8       7.9861      0.00000
      9      14.3867      0.00000
     10      15.0539      0.00000
     11      15.2613      0.00000
     12      16.3986      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8349      2.00000
      2       0.3247      2.00000
      3       1.3420      2.00000
      4       3.0671      2.00000
      5       7.1352      0.00031
      6       8.2032      0.00000
      7       8.8527      0.00000
      8       9.2187      0.00000
      9       9.9518      0.00000
     10      10.6229      0.00000
     11      10.9031      0.00000
     12      13.4438      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7827      2.00000
      2       0.3741      2.00000
      3       1.3927      2.00000
      4       3.0887      2.00000
      5       6.4780      0.19782
      6       7.6018      0.00000
      7       8.5622      0.00000
      8       9.5878      0.00000
      9      10.1481      0.00000
     10      10.7984      0.00000
     11      11.6539      0.00000
     12      13.8614      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6266      2.00000
      2       0.5214      2.00000
      3       1.5441      2.00000
      4       3.1492      2.00000
      5       5.4320      1.99948
      6       6.6109      0.05646
      7       7.5345      0.00001
      8       9.4993      0.00000
      9      10.9452      0.00000
     10      12.0005      0.00000
     11      12.9309      0.00000
     12      14.5557      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3678      2.00000
      2       0.7637      2.00000
      3       1.7942      2.00000
      4       3.2305      2.00000
      5       4.4150      2.00000
      6       5.6398      1.99584
      7       6.5274      0.12551
      8       8.8343      0.00000
      9      12.4061      0.00000
     10      13.3782      0.00000
     11      14.3341      0.00000
     12      14.8112      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0089      2.00000
      2       1.0926      2.00000
      3       2.1376      2.00000
      4       3.2187      2.00000
      5       3.5685      2.00000
      6       4.7735      2.00000
      7       5.6013      1.99717
      8       8.2525      0.00000
      9      13.9479      0.00000
     10      14.7622      0.00000
     11      15.1574      0.00000
     12      15.7545      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4410      2.00000
      2       1.4839      2.00000
      3       2.5241      2.00000
      4       2.5930      2.00000
      5       3.3753      2.00000
      6       4.1215      2.00000
      7       4.7851      2.00000
      8       7.8211      0.00000
      9      15.4082      0.00000
     10      15.6100      0.00000
     11      15.9910      0.00000
     12      16.8465      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9289      2.00000
      2       1.7962      2.00000
      3       1.9324      2.00000
      4       2.9397      2.00000
      5       3.1597      2.00000
      6       3.8904      2.00000
      7       4.1578      2.00000
      8       7.5890      0.00000
      9      15.9378      0.00000
     10      16.4664      0.00000
     11      16.7190      0.00000
     12      16.8074      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264   0.000  -0.000   0.000
  5.264  22.371   0.001  -0.000   0.000
  0.000   0.001  -0.285   0.000   0.000
 -0.000  -0.000   0.000  -0.285   0.000
  0.000   0.000   0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.076  -0.022  -0.015   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
 -0.015   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.094


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1734: real time    0.1734
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3420: real time    0.3420
    STRESS:  cpu time    4.1374: real time    4.1413
    FORCOR:  cpu time    0.0448: real time    0.0448
    FORHAR:  cpu time    0.0144: real time    0.0144
    MIXING:  cpu time    0.0058: real time    0.0058
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.33229   -72.37481   -72.34221    -0.00000    -0.00000    -0.00000
  Hartree     1.13770     1.12579     1.13400    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42258   -27.42194   -27.42242    -0.00000    -0.00000     0.00000
  Local      -4.01980    -3.96371    -4.00897     0.00000     0.00000    -0.00000
  n-local    58.91391    58.90884    58.91259     0.25645     0.02324     0.18958
  augment    -3.03552    -3.03515    -3.03532    -0.00000     0.00000     0.00000
  Kinetic    46.89101    46.88563    46.88145    -3.61939    -0.57732    -2.94509
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.01921     0.01142     0.00589     0.00000     0.00000     0.00000
  in kB       0.47140     0.28035     0.14449     0.00000     0.00000     0.00000
  external pressure =        0.30 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.447E-15 -.459E+00 -.122E-07   -.715E-16 0.416E+00 -.144E-15   0.270E-19 0.187E+00 -.133E-20   -.287E-05 -.826E-04 -.170E-15
   -.174E-14 0.370E+00 0.225E-13   0.128E-14 -.282E+00 -.298E-15   -.151E-18 -.157E+00 0.305E-19   0.221E-04 0.409E-03 -.114E-14
   -.169E-14 -.131E+00 -.919E-13   -.573E-15 0.148E+00 0.284E-15   0.395E-19 -.230E-01 -.201E-20   0.221E-04 -.574E-03 0.101E-14
   -.205E-15 0.369E+00 -.385E-14   -.778E-15 -.282E+00 -.174E-16   -.551E-19 -.156E+00 0.298E-20   -.256E-04 0.400E-03 0.155E-14
 -----------------------------------------------------------------------------------------------
   -.408E-14 0.149E+00 -.122E-07   -.140E-15 -.555E-16 -.175E-15   -.140E-18 -.149E+00 0.302E-19   0.158E-04 0.152E-03 0.125E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000     -0.05000      0.00000        -0.000000      0.143160      0.000000
      2.01274      2.01342      0.00000         0.000000     -0.068510     -0.000000
      2.01274      0.00000      2.01342        -0.000000     -0.006298     -0.000000
      0.00000      2.01342      2.01342        -0.000000     -0.068352     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000016      0.000004     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.55011911 eV

  energy  without entropy=      -13.51005557  energy(sigma->0) =      -13.53008734
 
 d Force = 0.3066339E-05[-0.143E-01, 0.143E-01]  d Energy =-0.7780519E-06 0.384E-05
 d Force = 0.2428613E-16[-0.416E-01, 0.416E-01]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0566: real time    0.0566


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   8/ 13
  Displacement:        2/  2
  Total:              16/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
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  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
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  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
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  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
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  0.153846  0.307692  0.000000      4.000000
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  0.384615  0.000000 -0.307692      4.000000
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  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
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  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.153846  0.000000 -0.461538      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.230769  0.000000 -0.461538      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.307692  0.000000 -0.461538      4.000000
  0.384615  0.461538  0.000000      4.000000
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  0.461538  0.461538  0.000000      4.000000
  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.000000  0.076923 -0.153846      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.076923  0.076923 -0.153846      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.153846  0.076923 -0.153846      8.000000
  0.230769  0.153846  0.076923      8.000000
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  0.307692  0.153846  0.076923      8.000000
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  0.000000  0.230769  0.076923      4.000000
  0.000000  0.076923 -0.230769      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.076923  0.076923 -0.230769      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.153846  0.076923 -0.230769      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.230769  0.076923 -0.230769      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.307692  0.076923 -0.230769      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.384615  0.076923 -0.230769      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.461538  0.076923 -0.230769      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.000000  0.076923 -0.307692      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.076923  0.076923 -0.307692      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.153846  0.076923 -0.307692      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.230769  0.076923 -0.307692      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.307692  0.076923 -0.307692      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.384615  0.076923 -0.307692      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.461538  0.076923 -0.307692      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.000000  0.076923 -0.384615      4.000000
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  0.153846  0.384615  0.076923      8.000000
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  0.307692  0.153846 -0.307692      8.000000
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  0.461538  0.153846 -0.307692      8.000000
  0.000000  0.384615  0.153846      4.000000
  0.000000  0.153846 -0.384615      4.000000
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  0.230769  0.384615  0.153846      8.000000
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  0.384615  0.153846 -0.384615      8.000000
  0.461538  0.384615  0.153846      8.000000
  0.461538  0.153846 -0.384615      8.000000
  0.000000  0.461538  0.153846      4.000000
  0.000000  0.153846 -0.461538      4.000000
  0.076923  0.461538  0.153846      8.000000
  0.076923  0.153846 -0.461538      8.000000
  0.153846  0.461538  0.153846      8.000000
  0.153846  0.153846 -0.461538      8.000000
  0.230769  0.461538  0.153846      8.000000
  0.230769  0.153846 -0.461538      8.000000
  0.307692  0.461538  0.153846      8.000000
  0.307692  0.153846 -0.461538      8.000000
  0.384615  0.461538  0.153846      8.000000
  0.384615  0.153846 -0.461538      8.000000
  0.461538  0.461538  0.153846      8.000000
  0.461538  0.153846 -0.461538      8.000000
  0.000000  0.230769  0.230769      4.000000
  0.076923  0.230769  0.230769      8.000000
  0.153846  0.230769  0.230769      8.000000
  0.230769  0.230769  0.230769      8.000000
  0.307692  0.230769  0.230769      8.000000
  0.384615  0.230769  0.230769      8.000000
  0.461538  0.230769  0.230769      8.000000
  0.000000  0.307692  0.230769      4.000000
  0.000000  0.230769 -0.307692      4.000000
  0.076923  0.307692  0.230769      8.000000
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  0.153846  0.307692  0.230769      8.000000
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  0.230769  0.230769 -0.307692      8.000000
  0.307692  0.307692  0.230769      8.000000
  0.307692  0.230769 -0.307692      8.000000
  0.384615  0.307692  0.230769      8.000000
  0.384615  0.230769 -0.307692      8.000000
  0.461538  0.307692  0.230769      8.000000
  0.461538  0.230769 -0.307692      8.000000
  0.000000  0.384615  0.230769      4.000000
  0.000000  0.230769 -0.384615      4.000000
  0.076923  0.384615  0.230769      8.000000
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  0.461538  0.230769 -0.384615      8.000000
  0.000000  0.461538  0.230769      4.000000
  0.000000  0.230769 -0.461538      4.000000
  0.076923  0.461538  0.230769      8.000000
  0.076923  0.230769 -0.461538      8.000000
  0.153846  0.461538  0.230769      8.000000
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  0.307692  0.461538  0.230769      8.000000
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  0.057327  0.114616  0.076411      8.000000
  0.057327  0.076411 -0.114616      8.000000
  0.076436  0.114616  0.076411      8.000000
  0.076436  0.076411 -0.114616      8.000000
  0.095545  0.114616  0.076411      8.000000
  0.095545  0.076411 -0.114616      8.000000
  0.114654  0.114616  0.076411      8.000000
  0.114654  0.076411 -0.114616      8.000000
  0.000000  0.095513  0.095513      4.000000
  0.019109  0.095513  0.095513      8.000000
  0.038218  0.095513  0.095513      8.000000
  0.057327  0.095513  0.095513      8.000000
  0.076436  0.095513  0.095513      8.000000
  0.095545  0.095513  0.095513      8.000000
  0.114654  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      4.000000
  0.000000  0.095513 -0.114616      4.000000
  0.019109  0.114616  0.095513      8.000000
  0.019109  0.095513 -0.114616      8.000000
  0.038218  0.114616  0.095513      8.000000
  0.038218  0.095513 -0.114616      8.000000
  0.057327  0.114616  0.095513      8.000000
  0.057327  0.095513 -0.114616      8.000000
  0.076436  0.114616  0.095513      8.000000
  0.076436  0.095513 -0.114616      8.000000
  0.095545  0.114616  0.095513      8.000000
  0.095545  0.095513 -0.114616      8.000000
  0.114654  0.114616  0.095513      8.000000
  0.114654  0.095513 -0.114616      8.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.114616      8.000000
  0.038218  0.114616  0.114616      8.000000
  0.057327  0.114616  0.114616      8.000000
  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.3934: real time    0.4084
    FEWALD:  cpu time    0.0030: real time    0.0030
    GENKIN:  cpu time    0.0694: real time    0.0694
    ORTHCH:  cpu time    2.1932: real time    2.1933
     LOOP+:  cpu time  126.4959: real time  126.5713


--------------------------------------- Iteration     18(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0501: real time    0.0508
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   20.2391: real time   20.2457
       DOS:  cpu time    0.0144: real time    0.0144
    CHARGE:  cpu time    0.1717: real time    0.1717
    MIXING:  cpu time    0.0030: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time   20.4820: real time   20.4893

 eigenvalue-minimisations  :  8348
 total energy-change (2. order) : 0.6923329E-03  (-0.3828457E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060559 magnetization 

 Broyden mixing:
  rms(total) = 0.14407E-01    rms(broyden)= 0.14407E-01
  rms(prec ) = 0.43129E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.39947006
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80177339
  PAW double counting   =       428.60874100     -327.26157221
  entropy T*S    EENTRO =        -0.04003722
  eigenvalues    EBANDS =        22.58498931
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54942780 eV

  energy without entropy =      -13.50939057  energy(sigma->0) =      -13.52940919


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0484: real time    0.0488
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   25.5598: real time   25.5720
       DOS:  cpu time    0.0157: real time    0.0157
    CHARGE:  cpu time    0.1748: real time    0.1748
    MIXING:  cpu time    0.0045: real time    0.0045
    --------------------------------------------
      LOOP:  cpu time   25.8067: real time   25.8193

 eigenvalue-minimisations  : 10716
 total energy-change (2. order) : 0.1440843E-03  (-0.1046500E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060343 magnetization 

 Broyden mixing:
  rms(total) = 0.74056E-02    rms(broyden)= 0.74056E-02
  rms(prec ) = 0.21818E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8822
  0.8822

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.40015767
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80171338
  PAW double counting   =       428.77085200     -327.42372198
  entropy T*S    EENTRO =        -0.04004297
  eigenvalues    EBANDS =        22.58580552
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54928371 eV

  energy without entropy =      -13.50924075  energy(sigma->0) =      -13.52926223


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0493: real time    0.0496
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   23.8239: real time   23.8312
       DOS:  cpu time    0.0178: real time    0.0208
    CHARGE:  cpu time    0.1709: real time    0.1709
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   24.0701: real time   24.0808

 eigenvalue-minimisations  :  9736
 total energy-change (2. order) : 0.4123492E-03  (-0.1015353E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060303 magnetization 

 Broyden mixing:
  rms(total) = 0.33923E-02    rms(broyden)= 0.33923E-02
  rms(prec ) = 0.84521E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6224
  1.1081  2.1368

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.40111254
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80165310
  PAW double counting   =       428.58564445     -327.23859976
  entropy T*S    EENTRO =        -0.04004765
  eigenvalues    EBANDS =        22.58720247
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54887136 eV

  energy without entropy =      -13.50882371  energy(sigma->0) =      -13.52884754


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0499: real time    0.0501
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   25.1850: real time   25.1936
       DOS:  cpu time    0.0160: real time    0.0160
    CHARGE:  cpu time    0.1705: real time    0.1705
    MIXING:  cpu time    0.0065: real time    0.0065
    --------------------------------------------
      LOOP:  cpu time   25.4314: real time   25.4403

 eigenvalue-minimisations  : 10632
 total energy-change (2. order) : 0.8837133E-04  (-0.1840205E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060248 magnetization 

 Broyden mixing:
  rms(total) = 0.15136E-02    rms(broyden)= 0.15136E-02
  rms(prec ) = 0.42442E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8374
  1.0202  1.6256  2.8666

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.40106900
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80166170
  PAW double counting   =       428.59612566     -327.24910569
  entropy T*S    EENTRO =        -0.04004841
  eigenvalues    EBANDS =        22.58728139
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54878299 eV

  energy without entropy =      -13.50873458  energy(sigma->0) =      -13.52875878


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0517: real time    0.0522
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   23.9547: real time   23.9669
       DOS:  cpu time    0.0120: real time    0.0120
    CHARGE:  cpu time    0.1738: real time    0.1738
    MIXING:  cpu time    0.0053: real time    0.0053
    --------------------------------------------
      LOOP:  cpu time   24.2013: real time   24.2139

 eigenvalue-minimisations  :  9744
 total energy-change (2. order) : 0.4014195E-04  (-0.1194365E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060242 magnetization 

 Broyden mixing:
  rms(total) = 0.39954E-03    rms(broyden)= 0.39954E-03
  rms(prec ) = 0.79455E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6835
  2.8943  0.9646  1.5266  1.3486

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.40095546
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167109
  PAW double counting   =       428.75271705     -327.40571618
  entropy T*S    EENTRO =        -0.04004872
  eigenvalues    EBANDS =        22.58723678
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54874285 eV

  energy without entropy =      -13.50869413  energy(sigma->0) =      -13.52871849


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0504: real time    0.0507
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   23.4067: real time   23.4134
       DOS:  cpu time    0.0161: real time    0.0161
    --------------------------------------------
      LOOP:  cpu time   23.4763: real time   23.4832

 eigenvalue-minimisations  : 10360
 total energy-change (2. order) :-0.4142719E-06  (-0.1136675E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060242 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.40095971
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167105
  PAW double counting   =       428.77448545     -327.42748166
  entropy T*S    EENTRO =        -0.04004869
  eigenvalues    EBANDS =        22.58723763
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54874326 eV

  energy without entropy =      -13.50869458  energy(sigma->0) =      -13.52871892


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2474       2 -74.2394       3 -74.2406       4 -74.2382
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5664     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6247      2.00000
      2       4.3271      2.00000
      3       4.3277      2.00000
      4       4.3323      2.00000
      5       5.5501      1.99830
      6       5.5525      1.99826
      7       7.5998      0.00000
      8      12.4870      0.00000
      9      12.5068      0.00000
     10      12.5187      0.00000
     11      12.8089      0.00000
     12      12.8145      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6446      2.00000
      3       4.3761      2.00000
      4       4.3767      2.00000
      5       5.6009      1.99718
      6       6.1586      1.45605
      7       7.8000      0.00000
      8      11.5730      0.00000
      9      11.5758      0.00000
     10      12.1753      0.00000
     11      12.8572      0.00000
     12      12.9865      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4282      2.00000
      2       2.6157      2.00000
      3       4.5228      2.00000
      4       4.5235      2.00000
      5       5.7593      1.98632
      6       6.7615      0.01281
      7       8.5715      0.00000
      8      10.4576      0.00000
      9      10.4585      0.00000
     10      11.4116      0.00000
     11      12.8138      0.00000
     12      13.0012      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6220      2.00000
      3       4.7659      2.00000
      4       4.7668      2.00000
      5       6.0221      1.82576
      6       7.0452      0.00076
      7       9.4217      0.00000
      8       9.4220      0.00000
      9       9.8341      0.00000
     10      10.5391      0.00000
     11      12.3306      0.00000
     12      13.2340      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8583      2.00000
      2       0.7176      2.00000
      3       5.1018      1.99998
      4       5.1028      1.99998
      5       6.3877      0.42624
      6       7.2197      0.00013
      7       8.4871      0.00000
      8       8.4872      0.00000
      9       9.6500      0.00000
     10      11.2388      0.00000
     11      12.0150      0.00000
     12      13.5430      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4687      2.00000
      2      -0.0599      2.00000
      3       5.5177      1.99877
      4       5.5191      1.99875
      5       6.8526      0.00517
      6       7.3455      0.00004
      7       7.6704      0.00000
      8       7.6710      0.00000
      9       8.8353      0.00000
     10      11.4254      0.00000
     11      13.1416      0.00000
     12      13.8891      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1176      2.00000
      2      -0.6058      2.00000
      3       5.9414      1.91836
      4       5.9438      1.91644
      5       7.0453      0.00075
      6       7.0470      0.00074
      7       7.4029      0.00002
      8       7.4177      0.00002
      9       8.1044      0.00000
     10      11.2721      0.00000
     11      14.1642      0.00000
     12      14.5185      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6391      2.00000
      3       4.3761      2.00000
      4       4.3833      2.00000
      5       5.6054      1.99705
      6       6.1538      1.47494
      7       7.7992      0.00000
      8      11.5681      0.00000
      9      11.5774      0.00000
     10      12.1699      0.00000
     11      12.8588      0.00000
     12      12.9953      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5627      2.00000
      3       3.8413      2.00000
      4       4.4251      2.00000
      5       5.9330      1.92467
      6       6.5063      0.15278
      7       7.9521      0.00000
      8      10.8403      0.00000
      9      11.4661      0.00000
     10      11.8649      0.00000
     11      12.3604      0.00000
     12      12.8502      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6480      2.00000
      3       3.8805      2.00000
      4       4.5718      2.00000
      5       6.1437      1.51298
      6       7.1337      0.00031
      7       8.6198      0.00000
      8       9.8319      0.00000
      9      10.4979      0.00000
     10      11.7978      0.00000
     11      11.8397      0.00000
     12      12.8759      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6632      2.00000
      3       4.1147      2.00000
      4       4.8149      2.00000
      5       6.3879      0.42556
      6       7.4361      0.00002
      7       8.8232      0.00000
      8       9.4687      0.00000
      9       9.9020      0.00000
     10      10.9790      0.00000
     11      12.0635      0.00000
     12      12.5060      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7612      2.00000
      3       4.4438      2.00000
      4       5.1507      1.99997
      5       6.6772      0.02952
      6       7.5841      0.00000
      7       8.0354      0.00000
      8       8.5354      0.00000
      9      10.1149      0.00000
     10      11.3522      0.00000
     11      12.1168      0.00000
     12      12.3809      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4178      2.00000
      2      -0.0161      2.00000
      3       4.8483      2.00000
      4       5.5665      1.99800
      5       6.7514      0.01417
      6       7.4458      0.00001
      7       7.7198      0.00000
      8       7.8868      0.00000
      9       9.3431      0.00000
     10      11.6165      0.00000
     11      12.7612      0.00000
     12      13.0943      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0651      2.00000
      2      -0.5632      2.00000
      3       5.2489      1.99992
      4       5.9899      1.87071
      5       6.3371      0.62003
      6       7.0962      0.00045
      7       7.6136      0.00000
      8       8.1122      0.00000
      9       8.6760      0.00000
     10      11.4436      0.00000
     11      13.1060      0.00000
     12      14.1345      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6111      2.00000
      3       4.5228      2.00000
      4       4.5300      2.00000
      5       5.7637      1.98570
      6       6.7583      0.01322
      7       8.5684      0.00000
      8      10.4527      0.00000
      9      10.4607      0.00000
     10      11.4066      0.00000
     11      12.8108      0.00000
     12      13.0024      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6437      2.00000
      3       3.8857      2.00000
      4       4.5717      2.00000
      5       6.1461      1.50412
      6       7.1332      0.00031
      7       8.6174      0.00000
      8       9.8323      0.00000
      9      10.4932      0.00000
     10      11.7927      0.00000
     11      11.8448      0.00000
     12      12.8842      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5808      2.00000
      3       3.0733      2.00000
      4       4.7184      2.00000
      5       6.4082      0.36136
      6       8.0476      0.00000
      7       8.6500      0.00000
      8       9.1626      0.00000
      9      10.4884      0.00000
     10      10.8512      0.00000
     11      11.8456      0.00000
     12      12.6346      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7726      2.00000
      3       3.1265      2.00000
      4       4.9614      2.00000
      5       6.5668      0.08646
      6       7.9160      0.00000
      7       8.5939      0.00000
      8       9.6049      0.00000
      9      10.0311      0.00000
     10      10.9293      0.00000
     11      11.3369      0.00000
     12      12.6360      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6587      2.00000
      2       0.8880      2.00000
      3       3.4293      2.00000
      4       5.2970      1.99986
      5       6.4575      0.23758
      6       7.4662      0.00001
      7       8.6791      0.00000
      8       8.8179      0.00000
      9      10.6470      0.00000
     10      11.2421      0.00000
     11      11.5058      0.00000
     12      12.5249      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2656      2.00000
      2       0.1136      2.00000
      3       3.8137      2.00000
      4       5.7124      1.99141
      5       5.9142      1.93718
      6       7.5781      0.00000
      7       7.8654      0.00000
      8       8.9528      0.00000
      9      10.1180      0.00000
     10      11.6267      0.00000
     11      12.2061      0.00000
     12      12.8470      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9079      2.00000
      2      -0.4368      2.00000
      3       4.1827      2.00000
      4       5.4036      1.99961
      5       6.1351      1.54403
      6       7.2429      0.00010
      7       7.7966      0.00000
      8       8.9566      0.00000
      9       9.8273      0.00000
     10      11.9813      0.00000
     11      11.9844      0.00000
     12      13.3910      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6183      2.00000
      3       4.7659      2.00000
      4       4.7731      2.00000
      5       6.0264      1.81881
      6       7.0428      0.00077
      7       9.4173      0.00000
      8       9.4237      0.00000
      9       9.8382      0.00000
     10      10.5269      0.00000
     11      12.3285      0.00000
     12      13.2348      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6595      2.00000
      3       4.1200      2.00000
      4       4.8148      2.00000
      5       6.3903      0.41768
      6       7.4364      0.00002
      7       8.8262      0.00000
      8       9.4643      0.00000
      9       9.8988      0.00000
     10      10.9717      0.00000
     11      12.0687      0.00000
     12      12.5067      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7694      2.00000
      3       3.1305      2.00000
      4       4.9613      2.00000
      5       6.5670      0.08625
      6       7.9162      0.00000
      7       8.5986      0.00000
      8       9.6007      0.00000
      9      10.0269      0.00000
     10      10.9339      0.00000
     11      11.3314      0.00000
     12      12.6420      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7447      2.00000
      2       1.7599      2.00000
      3       2.3779      2.00000
      4       5.2041      1.99995
      5       6.3584      0.53271
      6       7.4618      0.00001
      7       9.7033      0.00000
      8       9.7346      0.00000
      9      10.0274      0.00000
     10      10.3561      0.00000
     11      11.2957      0.00000
     12      12.4490      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4123      2.00000
      2       1.0764      2.00000
      3       2.4682      2.00000
      4       5.5394      1.99847
      5       5.7124      1.99142
      6       7.5414      0.00001
      7       8.9119      0.00000
      8      10.0069      0.00000
      9      10.2086      0.00000
     10      11.0916      0.00000
     11      11.4381      0.00000
     12      12.6307      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3214      2.00000
      3       2.8126      2.00000
      4       5.0243      1.99999
      5       5.9543      1.90761
      6       7.8089      0.00000
      7       8.1049      0.00000
      8       9.7682      0.00000
      9      10.5915      0.00000
     10      11.1184      0.00000
     11      12.1637      0.00000
     12      12.9239      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6472      2.00000
      2      -0.2325      2.00000
      3       3.1462      2.00000
      4       4.5140      2.00000
      5       6.3760      0.46665
      6       7.4847      0.00001
      7       8.0570      0.00000
      8       9.4652      0.00000
      9      10.9522      0.00000
     10      11.2493      0.00000
     11      12.3619      0.00000
     12      12.4765      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7147      2.00000
      3       5.1018      1.99998
      4       5.1091      1.99998
      5       6.3918      0.41275
      6       7.2171      0.00014
      7       8.4830      0.00000
      8       8.4905      0.00000
      9       9.6545      0.00000
     10      11.2255      0.00000
     11      12.0126      0.00000
     12      13.5433      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       0.7583      2.00000
      3       4.4490      2.00000
      4       5.1507      1.99997
      5       6.6786      0.02909
      6       7.5846      0.00000
      7       8.0391      0.00000
      8       8.5313      0.00000
      9      10.1190      0.00000
     10      11.3379      0.00000
     11      12.1170      0.00000
     12      12.3861      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6592      2.00000
      2       0.8853      2.00000
      3       3.4334      2.00000
      4       5.2970      1.99986
      5       6.4578      0.23685
      6       7.4669      0.00001
      7       8.6750      0.00000
      8       8.8225      0.00000
      9      10.6495      0.00000
     10      11.2468      0.00000
     11      11.4935      0.00000
     12      12.5285      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4126      2.00000
      2       1.0740      2.00000
      3       2.4712      2.00000
      4       5.5394      1.99847
      5       5.7128      1.99138
      6       7.5413      0.00001
      7       8.9079      0.00000
      8      10.0108      0.00000
      9      10.2128      0.00000
     10      11.0901      0.00000
     11      11.4371      0.00000
     12      12.6291      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0759      2.00000
      2       1.1345      2.00000
      3       1.8009      2.00000
      4       4.9127      2.00000
      5       5.8743      1.95741
      6       7.7987      0.00000
      7       9.1138      0.00000
      8       9.4000      0.00000
      9      10.4684      0.00000
     10      11.3152      0.00000
     11      11.9623      0.00000
     12      12.7771      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6698      2.00000
      2       0.5810      2.00000
      3       1.9154      2.00000
      4       4.2066      2.00000
      5       6.2885      0.84385
      6       8.1243      0.00000
      7       8.4288      0.00000
      8       9.6651      0.00000
      9      10.1307      0.00000
     10      11.5149      0.00000
     11      11.9898      0.00000
     12      12.4936      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2864      2.00000
      2       0.0348      2.00000
      3       2.1921      2.00000
      4       3.7186      2.00000
      5       6.7097      0.02141
      6       7.8140      0.00000
      7       8.4097      0.00000
      8       9.7654      0.00000
      9      10.0262      0.00000
     10      11.4208      0.00000
     11      11.6680      0.00000
     12      12.7834      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4697      2.00000
      2      -0.0622      2.00000
      3       5.5179      1.99877
      4       5.5255      1.99867
      5       6.8561      0.00500
      6       7.3414      0.00004
      7       7.6669      0.00000
      8       7.6762      0.00000
      9       8.8374      0.00000
     10      11.4230      0.00000
     11      13.1302      0.00000
     12      13.8902      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0183      2.00000
      3       4.8534      2.00000
      4       5.5667      1.99799
      5       6.7517      0.01412
      6       7.4481      0.00001
      7       7.7156      0.00000
      8       7.8898      0.00000
      9       9.3450      0.00000
     10      11.6152      0.00000
     11      12.7664      0.00000
     12      13.0854      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2665      2.00000
      2       0.1115      2.00000
      3       3.8177      2.00000
      4       5.7127      1.99139
      5       5.9153      1.93650
      6       7.5778      0.00000
      7       7.8613      0.00000
      8       8.9575      0.00000
      9      10.1184      0.00000
     10      11.6315      0.00000
     11      12.2085      0.00000
     12      12.8457      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0151      2.00000
      2       0.3195      2.00000
      3       2.8156      2.00000
      4       5.0252      1.99999
      5       5.9546      1.90737
      6       7.8082      0.00000
      7       8.1008      0.00000
      8       9.7710      0.00000
      9      10.5958      0.00000
     10      11.1151      0.00000
     11      12.1764      0.00000
     12      12.9245      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6702      2.00000
      2       0.5794      2.00000
      3       1.9174      2.00000
      4       4.2071      2.00000
      5       6.2888      0.84261
      6       8.1238      0.00000
      7       8.4249      0.00000
      8       9.6691      0.00000
      9      10.1319      0.00000
     10      11.5078      0.00000
     11      11.9899      0.00000
     12      12.5121      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2491      2.00000
      2       0.7143      2.00000
      3       1.2985      2.00000
      4       3.5181      2.00000
      5       6.7028      0.02293
      6       8.5001      0.00000
      7       8.7208      0.00000
      8       8.9565      0.00000
      9      10.1836      0.00000
     10      11.0374      0.00000
     11      11.1887      0.00000
     12      13.5187      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8353      2.00000
      2       0.3266      2.00000
      3       1.3451      2.00000
      4       3.0670      2.00000
      5       7.1255      0.00034
      6       8.2072      0.00000
      7       8.8476      0.00000
      8       9.2160      0.00000
      9       9.9460      0.00000
     10      10.6175      0.00000
     11      10.8977      0.00000
     12      13.4374      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1191      2.00000
      2      -0.6075      2.00000
      3       5.9427      1.91731
      4       5.9509      1.91058
      5       7.0418      0.00078
      6       7.0424      0.00078
      7       7.4126      0.00002
      8       7.4171      0.00002
      9       8.1043      0.00000
     10      11.2709      0.00000
     11      14.1661      0.00000
     12      14.5305      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0665      2.00000
      2      -0.5648      2.00000
      3       5.2543      1.99991
      4       5.9912      1.86906
      5       6.3381      0.61546
      6       7.0910      0.00048
      7       7.6122      0.00000
      8       8.1197      0.00000
      9       8.6759      0.00000
     10      11.4433      0.00000
     11      13.1113      0.00000
     12      14.1452      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9092      2.00000
      2      -0.4383      2.00000
      3       4.1867      2.00000
      4       5.4050      1.99960
      5       6.1365      1.53917
      6       7.2378      0.00011
      7       7.7949      0.00000
      8       8.9620      0.00000
      9       9.8278      0.00000
     10      11.9865      0.00000
     11      11.9869      0.00000
     12      13.4139      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6483      2.00000
      2      -0.2339      2.00000
      3       3.1492      2.00000
      4       4.5152      2.00000
      5       6.3774      0.46168
      6       7.4796      0.00001
      7       8.0554      0.00000
      8       9.4681      0.00000
      9      10.9570      0.00000
     10      11.2446      0.00000
     11      12.3621      0.00000
     12      12.4964      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2872      2.00000
      2       0.0337      2.00000
      3       2.1942      2.00000
      4       3.7193      2.00000
      5       6.7110      0.02113
      6       7.8090      0.00000
      7       8.4084      0.00000
      8       9.7673      0.00000
      9      10.0308      0.00000
     10      11.4205      0.00000
     11      11.6582      0.00000
     12      12.8085      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8357      2.00000
      2       0.3258      2.00000
      3       1.3463      2.00000
      4       3.0673      2.00000
      5       7.1266      0.00033
      6       8.2021      0.00000
      7       8.8467      0.00000
      8       9.2207      0.00000
      9       9.9476      0.00000
     10      10.6171      0.00000
     11      10.8959      0.00000
     12      13.4398      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3526      2.00000
      2       0.5033      2.00000
      3       0.7122      2.00000
      4       2.6604      2.00000
      5       7.5598      0.00000
      6       8.5252      0.00000
      7       8.6269      0.00000
      8       9.3179      0.00000
      9      10.0072      0.00000
     10      10.0516      0.00000
     11      10.2857      0.00000
     12      13.3333      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5261      2.00000
      2       3.5609      2.00000
      3       3.8369      2.00000
      4       4.4328      2.00000
      5       5.9348      1.92333
      6       6.5038      0.15641
      7       7.9513      0.00000
      8      10.8329      0.00000
      9      11.4811      0.00000
     10      11.8558      0.00000
     11      12.3642      0.00000
     12      12.8497      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4767      2.00000
      2       3.5937      2.00000
      3       3.6348      2.00000
      4       4.0642      2.00000
      5       6.5333      0.11874
      6       6.5777      0.07786
      7       8.0762      0.00000
      8      10.7235      0.00000
      9      10.7727      0.00000
     10      11.3226      0.00000
     11      12.6517      0.00000
     12      13.3190      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3293      2.00000
      2       2.6837      2.00000
      3       3.7649      2.00000
      4       4.1219      2.00000
      5       6.7023      0.02303
      6       7.3002      0.00006
      7       8.6638      0.00000
      8       9.7026      0.00000
      9      10.0546      0.00000
     10      11.1890      0.00000
     11      12.2631      0.00000
     12      13.2365      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0871      2.00000
      2       1.7051      2.00000
      3       4.0169      2.00000
      4       4.3350      2.00000
      5       6.9451      0.00205
      6       7.5947      0.00000
      7       8.6964      0.00000
      8       9.0959      0.00000
      9       9.9734      0.00000
     10      11.3545      0.00000
     11      11.4493      0.00000
     12      12.7758      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7581      2.00000
      2       0.8051      2.00000
      3       4.3670      2.00000
      4       4.6326      2.00000
      5       7.2175      0.00013
      6       7.6007      0.00000
      7       7.8477      0.00000
      8       8.4807      0.00000
      9      10.5603      0.00000
     10      11.3428      0.00000
     11      11.6513      0.00000
     12      12.4237      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3668      2.00000
      2       0.0280      2.00000
      3       4.8078      2.00000
      4       4.9829      1.99999
      5       6.8247      0.00683
      6       7.2116      0.00014
      7       7.8620      0.00000
      8       8.3016      0.00000
      9       9.7563      0.00000
     10      11.6908      0.00000
     11      12.0861      0.00000
     12      13.2409      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0126      2.00000
      2      -0.5203      2.00000
      3       5.2874      1.99988
      4       5.2941      1.99987
      5       6.1724      1.39971
      6       6.7900      0.00965
      7       8.3198      0.00000
      8       8.3771      0.00000
      9       9.0303      0.00000
     10      11.5679      0.00000
     11      12.3668      0.00000
     12      13.8840      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3790      2.00000
      2       2.6436      2.00000
      3       3.8797      2.00000
      4       4.5795      2.00000
      5       6.1469      1.50096
      6       7.1310      0.00032
      7       8.6172      0.00000
      8       9.8255      0.00000
      9      10.5026      0.00000
     10      11.7658      0.00000
     11      11.8744      0.00000
     12      12.8812      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6794      2.00000
      3       3.7678      2.00000
      4       4.1245      2.00000
      5       6.7062      0.02217
      6       7.2980      0.00006
      7       8.6617      0.00000
      8       9.6989      0.00000
      9      10.0544      0.00000
     10      11.1933      0.00000
     11      12.2611      0.00000
     12      13.2365      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6321      2.00000
      3       3.0720      2.00000
      4       4.1436      2.00000
      5       7.0877      0.00049
      6       8.0885      0.00000
      7       8.6985      0.00000
      8       9.1027      0.00000
      9       9.8189      0.00000
     10      10.4919      0.00000
     11      12.4855      0.00000
     12      13.1093      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8174      2.00000
      3       3.1488      2.00000
      4       4.3594      2.00000
      5       7.1869      0.00018
      6       8.0217      0.00000
      7       8.4973      0.00000
      8       9.1914      0.00000
      9       9.9034      0.00000
     10      10.6025      0.00000
     11      11.9405      0.00000
     12      13.1302      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9330      2.00000
      3       3.4601      2.00000
      4       4.6630      2.00000
      5       6.7390      0.01601
      6       7.8604      0.00000
      7       8.0772      0.00000
      8       9.1131      0.00000
      9      10.5290      0.00000
     10      11.1424      0.00000
     11      11.7138      0.00000
     12      12.8229      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2147      2.00000
      2       0.1584      2.00000
      3       3.8522      2.00000
      4       5.0204      1.99999
      5       6.0480      1.78003
      6       7.3004      0.00006
      7       8.2577      0.00000
      8       9.2716      0.00000
      9      10.4509      0.00000
     10      10.9432      0.00000
     11      12.3367      0.00000
     12      13.1548      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8554      2.00000
      2      -0.3932      2.00000
      3       4.2299      2.00000
      4       5.2802      1.99989
      5       5.5663      1.99800
      6       6.8029      0.00849
      7       8.5620      0.00000
      8       9.4138      0.00000
      9       9.9424      0.00000
     10      11.2838      0.00000
     11      11.9811      0.00000
     12      13.0355      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6595      2.00000
      3       4.1139      2.00000
      4       4.8227      2.00000
      5       6.3910      0.41529
      6       7.4343      0.00002
      7       8.8203      0.00000
      8       9.4717      0.00000
      9       9.8988      0.00000
     10      10.9709      0.00000
     11      12.0721      0.00000
     12      12.5051      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0874      2.00000
      2       1.7014      2.00000
      3       4.0196      2.00000
      4       4.3377      2.00000
      5       6.9485      0.00198
      6       7.5940      0.00000
      7       8.6971      0.00000
      8       9.0937      0.00000
      9       9.9690      0.00000
     10      11.3506      0.00000
     11      11.4547      0.00000
     12      12.7739      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8141      2.00000
      3       3.1527      2.00000
      4       4.3594      2.00000
      5       7.1870      0.00018
      6       8.0222      0.00000
      7       8.5007      0.00000
      8       9.1881      0.00000
      9       9.9017      0.00000
     10      10.6045      0.00000
     11      11.9352      0.00000
     12      13.1365      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6947      2.00000
      2       1.8118      2.00000
      3       2.4059      2.00000
      4       4.5723      2.00000
      5       6.6597      0.03505
      6       7.9143      0.00000
      7       8.9525      0.00000
      8       9.4202      0.00000
      9       9.9100      0.00000
     10      10.6826      0.00000
     11      11.9770      0.00000
     12      12.8234      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3620      2.00000
      2       1.1239      2.00000
      3       2.5061      2.00000
      4       4.8502      2.00000
      5       5.9061      1.94193
      6       8.0913      0.00000
      7       8.3537      0.00000
      8       9.6011      0.00000
      9      10.3412      0.00000
     10      11.5295      0.00000
     11      11.8003      0.00000
     12      12.8224      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9634      2.00000
      2       0.3675      2.00000
      3       2.8560      2.00000
      4       4.9211      2.00000
      5       5.4871      1.99909
      6       7.5291      0.00001
      7       8.5231      0.00000
      8       9.9308      0.00000
      9      10.3415      0.00000
     10      11.2546      0.00000
     11      12.3463      0.00000
     12      12.8017      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5949      2.00000
      2      -0.1879      2.00000
      3       3.1954      2.00000
      4       4.5145      2.00000
      5       5.7205      1.99070
      6       6.9999      0.00119
      7       8.8226      0.00000
      8       9.9946      0.00000
      9      10.3129      0.00000
     10      11.2895      0.00000
     11      11.8096      0.00000
     12      13.0829      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7582      2.00000
      3       4.4428      2.00000
      4       5.1586      1.99997
      5       6.6793      0.02892
      6       7.5829      0.00000
      7       8.0327      0.00000
      8       8.5390      0.00000
      9      10.1185      0.00000
     10      11.3376      0.00000
     11      12.1155      0.00000
     12      12.3894      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7587      2.00000
      2       0.8021      2.00000
      3       4.3695      2.00000
      4       4.6352      2.00000
      5       7.2185      0.00013
      6       7.6019      0.00000
      7       7.8488      0.00000
      8       8.4795      0.00000
      9      10.5649      0.00000
     10      11.3342      0.00000
     11      11.6514      0.00000
     12      12.4228      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9302      2.00000
      3       3.4642      2.00000
      4       4.6629      2.00000
      5       6.7394      0.01595
      6       7.8611      0.00000
      7       8.0758      0.00000
      8       9.1153      0.00000
      9      10.5314      0.00000
     10      11.1519      0.00000
     11      11.6961      0.00000
     12      12.8246      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3623      2.00000
      2       1.1215      2.00000
      3       2.5091      2.00000
      4       4.8501      2.00000
      5       5.9064      1.94173
      6       8.0922      0.00000
      7       8.3499      0.00000
      8       9.6039      0.00000
      9      10.3458      0.00000
     10      11.5389      0.00000
     11      11.7839      0.00000
     12      12.8239      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       1.1867      2.00000
      3       1.8383      2.00000
      4       4.8111      2.00000
      5       5.4330      1.99947
      6       8.4021      0.00000
      7       8.4253      0.00000
      8       8.9578      0.00000
      9      11.1831      0.00000
     10      11.8050      0.00000
     11      12.0776      0.00000
     12      12.1227      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6187      2.00000
      2       0.6296      2.00000
      3       1.9599      2.00000
      4       4.2139      2.00000
      5       5.6992      1.99247
      6       7.8212      0.00000
      7       8.8214      0.00000
      8       9.0855      0.00000
      9      10.8188      0.00000
     10      11.4646      0.00000
     11      12.1809      0.00000
     12      12.6134      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2342      2.00000
      2       0.0814      2.00000
      3       2.2422      2.00000
      4       3.7361      2.00000
      5       6.0514      1.77317
      6       7.2819      0.00007
      7       9.1586      0.00000
      8       9.3735      0.00000
      9      10.3072      0.00000
     10      11.0852      0.00000
     11      12.4032      0.00000
     12      12.8539      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0183      2.00000
      3       4.8469      2.00000
      4       5.5749      1.99782
      5       6.7498      0.01439
      6       7.4461      0.00001
      7       7.7239      0.00000
      8       7.8861      0.00000
      9       9.3438      0.00000
     10      11.6141      0.00000
     11      12.7693      0.00000
     12      13.0851      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3678      2.00000
      2       0.0258      2.00000
      3       4.8101      2.00000
      4       4.9857      1.99999
      5       6.8229      0.00695
      6       7.2127      0.00014
      7       7.8665      0.00000
      8       8.3001      0.00000
      9       9.7578      0.00000
     10      11.6918      0.00000
     11      12.0898      0.00000
     12      13.2301      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2155      2.00000
      2       0.1562      2.00000
      3       3.8562      2.00000
      4       5.0204      1.99999
      5       6.0487      1.77866
      6       7.2988      0.00006
      7       8.2571      0.00000
      8       9.2749      0.00000
      9      10.4490      0.00000
     10      10.9523      0.00000
     11      12.3368      0.00000
     12      13.1460      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9641      2.00000
      2       0.3656      2.00000
      3       2.8590      2.00000
      4       4.9218      2.00000
      5       5.4871      1.99909
      6       7.5272      0.00001
      7       8.5215      0.00000
      8       9.9328      0.00000
      9      10.3456      0.00000
     10      11.2567      0.00000
     11      12.3463      0.00000
     12      12.8090      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6191      2.00000
      2       0.6280      2.00000
      3       1.9619      2.00000
      4       4.2143      2.00000
      5       5.6991      1.99248
      6       7.8194      0.00000
      7       8.8182      0.00000
      8       9.0901      0.00000
      9      10.8202      0.00000
     10      11.4636      0.00000
     11      12.1704      0.00000
     12      12.6357      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1977      2.00000
      2       0.7666      2.00000
      3       1.3427      2.00000
      4       3.5391      2.00000
      5       6.0816      1.70496
      6       8.0125      0.00000
      7       8.4401      0.00000
      8       9.2142      0.00000
      9      10.6949      0.00000
     10      10.9752      0.00000
     11      11.7546      0.00000
     12      13.9243      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7832      2.00000
      2       0.3760      2.00000
      3       1.3956      2.00000
      4       3.0886      2.00000
      5       6.4707      0.21125
      6       7.6027      0.00000
      7       8.5605      0.00000
      8       9.5818      0.00000
      9      10.1440      0.00000
     10      10.7918      0.00000
     11      11.6489      0.00000
     12      13.8537      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0665      2.00000
      2      -0.5649      2.00000
      3       5.2471      1.99992
      4       6.0002      1.85759
      5       6.3349      0.62948
      6       7.0954      0.00046
      7       7.6154      0.00000
      8       8.1171      0.00000
      9       8.6732      0.00000
     10      11.4423      0.00000
     11      13.1143      0.00000
     12      14.1418      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2      -0.5220      2.00000
      3       5.2782      1.99989
      4       5.3094      1.99985
      5       6.1700      1.40963
      6       6.7909      0.00956
      7       8.3167      0.00000
      8       8.3847      0.00000
      9       9.0299      0.00000
     10      11.5677      0.00000
     11      12.3740      0.00000
     12      13.8851      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8567      2.00000
      2      -0.3948      2.00000
      3       4.2339      2.00000
      4       5.2825      1.99988
      5       5.5647      1.99803
      6       6.8012      0.00863
      7       8.5599      0.00000
      8       9.4195      0.00000
      9       9.9409      0.00000
     10      11.2926      0.00000
     11      11.9818      0.00000
     12      13.0365      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5959      2.00000
      2      -0.1893      2.00000
      3       3.1984      2.00000
      4       4.5156      2.00000
      5       5.7202      1.99072
      6       6.9978      0.00121
      7       8.8202      0.00000
      8       9.9969      0.00000
      9      10.3147      0.00000
     10      11.2954      0.00000
     11      11.8090      0.00000
     12      13.0945      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2349      2.00000
      2       0.0802      2.00000
      3       2.2443      2.00000
      4       3.7369      2.00000
      5       6.0515      1.77307
      6       7.2797      0.00007
      7       9.1533      0.00000
      8       9.3799      0.00000
      9      10.3084      0.00000
     10      11.0860      0.00000
     11      12.3824      0.00000
     12      12.8897      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7836      2.00000
      2       0.3751      2.00000
      3       1.3969      2.00000
      4       3.0889      2.00000
      5       6.4709      0.21085
      6       7.6005      0.00000
      7       8.5621      0.00000
      8       9.5816      0.00000
      9      10.1440      0.00000
     10      10.7929      0.00000
     11      11.6472      0.00000
     12      13.8571      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3005      2.00000
      2       0.5557      2.00000
      3       0.7632      2.00000
      4       2.6813      2.00000
      5       6.9123      0.00285
      6       7.8158      0.00000
      7       7.9729      0.00000
      8       9.7150      0.00000
      9      10.0847      0.00000
     10      10.8048      0.00000
     11      11.0576      0.00000
     12      13.7159      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2314      2.00000
      2       2.5792      2.00000
      3       3.0698      2.00000
      4       4.7261      2.00000
      5       6.4100      0.35613
      6       8.0456      0.00000
      7       8.6490      0.00000
      8       9.1557      0.00000
      9      10.5019      0.00000
     10      10.8458      0.00000
     11      11.8487      0.00000
     12      12.6346      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1818      2.00000
      2       2.6305      2.00000
      3       3.0690      2.00000
      4       4.1493      2.00000
      5       7.0904      0.00048
      6       8.0869      0.00000
      7       8.6980      0.00000
      8       9.0961      0.00000
      9       9.8246      0.00000
     10      10.4928      0.00000
     11      12.4874      0.00000
     12      13.1099      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0337      2.00000
      2       2.7651      2.00000
      3       2.8092      2.00000
      4       3.5481      2.00000
      5       8.1198      0.00000
      6       8.1992      0.00000
      7       8.8199      0.00000
      8       8.8536      0.00000
      9       8.8812      0.00000
     10      10.1771      0.00000
     11      13.0618      0.00000
     12      13.7799      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7902      2.00000
      2       1.9419      2.00000
      3       3.0425      2.00000
      4       3.6087      2.00000
      5       7.6306      0.00000
      6       7.9953      0.00000
      7       8.6137      0.00000
      8       9.0811      0.00000
      9       9.3110      0.00000
     10      10.5974      0.00000
     11      12.7790      0.00000
     12      13.6535      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4587      2.00000
      2       1.0647      2.00000
      3       3.3988      2.00000
      4       3.8486      2.00000
      5       6.7349      0.01668
      6       7.3067      0.00006
      7       8.9205      0.00000
      8       9.3945      0.00000
      9       9.6691      0.00000
     10      11.8116      0.00000
     11      12.0542      0.00000
     12      12.9301      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0624      2.00000
      2       0.2910      2.00000
      3       3.8499      2.00000
      4       4.1376      2.00000
      5       5.9013      1.94458
      6       6.6899      0.02605
      7       9.3557      0.00000
      8       9.6934      0.00000
      9       9.9378      0.00000
     10      11.2561      0.00000
     11      12.1546      0.00000
     12      12.9834      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6983      2.00000
      2      -0.2642      2.00000
      3       4.3593      2.00000
      4       4.3685      2.00000
      5       5.1978      1.99995
      6       6.2901      0.83634
      7       9.8288      0.00000
      8       9.8801      0.00000
      9      10.2667      0.00000
     10      10.5601      0.00000
     11      11.5937      0.00000
     12      12.9146      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7692      2.00000
      3       3.1255      2.00000
      4       4.9691      1.99999
      5       6.5680      0.08543
      6       7.9142      0.00000
      7       8.5931      0.00000
      8       9.6090      0.00000
      9      10.0263      0.00000
     10      10.9297      0.00000
     11      11.3398      0.00000
     12      12.6401      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9391      2.00000
      2       1.8140      2.00000
      3       3.1480      2.00000
      4       4.3652      2.00000
      5       7.1880      0.00018
      6       8.0212      0.00000
      7       8.4990      0.00000
      8       9.1913      0.00000
      9       9.9009      0.00000
     10      10.6045      0.00000
     11      11.9395      0.00000
     12      13.1352      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7904      2.00000
      2       1.9384      2.00000
      3       3.0452      2.00000
      4       3.6101      2.00000
      5       7.6287      0.00000
      6       7.9957      0.00000
      7       8.6166      0.00000
      8       9.0862      0.00000
      9       9.3076      0.00000
     10      10.5952      0.00000
     11      12.7765      0.00000
     12      13.6501      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5456      2.00000
      2       1.9671      2.00000
      3       2.4574      2.00000
      4       3.6308      2.00000
      5       6.8647      0.00458
      6       7.9159      0.00000
      7       8.5397      0.00000
      8       9.1007      0.00000
      9      10.0709      0.00000
     10      10.9316      0.00000
     11      13.0669      0.00000
     12      13.0760      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2639      2.00000
      3       2.6063      2.00000
      4       3.8872      2.00000
      5       6.0121      1.84106
      6       7.3184      0.00005
      7       8.6483      0.00000
      8       9.4148      0.00000
      9      10.6284      0.00000
     10      11.8626      0.00000
     11      12.3528      0.00000
     12      12.6969      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5043      2.00000
      3       2.9793      2.00000
      4       4.1962      2.00000
      5       5.2621      1.99990
      6       6.6656      0.03307
      7       8.9718      0.00000
      8       9.7737      0.00000
      9      10.8974      0.00000
     10      11.3846      0.00000
     11      12.0353      0.00000
     12      13.5887      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4381      2.00000
      2      -0.0552      2.00000
      3       3.3413      2.00000
      4       4.4051      2.00000
      5       4.7667      2.00000
      6       6.2234      1.16684
      7       9.2540      0.00000
      8      10.1342      0.00000
      9      10.8075      0.00000
     10      11.1085      0.00000
     11      11.5770      0.00000
     12      13.5001      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8852      2.00000
      3       3.4282      2.00000
      4       5.3049      1.99985
      5       6.4562      0.24030
      6       7.4667      0.00001
      7       8.6827      0.00000
      8       8.8180      0.00000
      9      10.6476      0.00000
     10      11.2527      0.00000
     11      11.4931      0.00000
     12      12.5260      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6091      2.00000
      2       0.9301      2.00000
      3       3.4593      2.00000
      4       4.6688      2.00000
      5       6.7371      0.01632
      6       7.8605      0.00000
      7       8.0831      0.00000
      8       9.1121      0.00000
      9      10.5310      0.00000
     10      11.1546      0.00000
     11      11.6970      0.00000
     12      12.8219      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4592      2.00000
      2       1.0618      2.00000
      3       3.4014      2.00000
      4       3.8500      2.00000
      5       6.7337      0.01689
      6       7.3068      0.00006
      7       8.9226      0.00000
      8       9.3976      0.00000
      9       9.6718      0.00000
     10      11.8270      0.00000
     11      12.0313      0.00000
     12      12.9290      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2121      2.00000
      2       1.2614      2.00000
      3       2.6094      2.00000
      4       3.8871      2.00000
      5       6.0123      1.84080
      6       7.3168      0.00005
      7       8.6495      0.00000
      8       9.4162      0.00000
      9      10.6329      0.00000
     10      11.8636      0.00000
     11      12.3488      0.00000
     12      12.6909      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8744      2.00000
      2       1.3430      2.00000
      3       1.9447      2.00000
      4       4.1181      2.00000
      5       5.2391      1.99992
      6       7.3372      0.00004
      7       8.0502      0.00000
      8       9.7311      0.00000
      9      11.2770      0.00000
     10      11.8805      0.00000
     11      12.5425      0.00000
     12      12.7950      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4661      2.00000
      2       0.7742      2.00000
      3       2.0909      2.00000
      4       4.1376      2.00000
      5       4.8440      2.00000
      6       6.8528      0.00516
      7       8.1229      0.00000
      8      10.0385      0.00000
      9      10.6838      0.00000
     10      11.9975      0.00000
     11      12.8471      0.00000
     12      13.3149      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0778      2.00000
      2       0.2198      2.00000
      3       2.3918      2.00000
      4       3.7747      2.00000
      5       5.0117      1.99999
      6       6.3871      0.42826
      7       8.3415      0.00000
      8      10.0590      0.00000
      9      10.5400      0.00000
     10      11.6766      0.00000
     11      13.0087      0.00000
     12      13.6624      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1113      2.00000
      3       3.8122      2.00000
      4       5.7209      1.99066
      5       5.9123      1.93832
      6       7.5771      0.00000
      7       7.8704      0.00000
      8       8.9551      0.00000
      9      10.1162      0.00000
     10      11.6357      0.00000
     11      12.2056      0.00000
     12      12.8433      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2156      2.00000
      2       0.1561      2.00000
      3       3.8509      2.00000
      4       5.0262      1.99999
      5       6.0466      1.78266
      6       7.3020      0.00006
      7       8.2618      0.00000
      8       9.2717      0.00000
      9      10.4485      0.00000
     10      10.9543      0.00000
     11      12.3342      0.00000
     12      13.1469      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0633      2.00000
      2       0.2888      2.00000
      3       3.8523      2.00000
      4       4.1388      2.00000
      5       5.9003      1.94510
      6       6.6903      0.02593
      7       9.3565      0.00000
      8       9.6921      0.00000
      9       9.9463      0.00000
     10      11.2606      0.00000
     11      12.1561      0.00000
     12      12.9785      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8117      2.00000
      2       0.5023      2.00000
      3       2.9824      2.00000
      4       4.1961      2.00000
      5       5.2621      1.99990
      6       6.6644      0.03347
      7       8.9729      0.00000
      8       9.7746      0.00000
      9      10.9034      0.00000
     10      11.3855      0.00000
     11      12.0374      0.00000
     12      13.5787      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4665      2.00000
      2       0.7725      2.00000
      3       2.0931      2.00000
      4       4.1380      2.00000
      5       4.8437      2.00000
      6       6.8515      0.00523
      7       8.1244      0.00000
      8      10.0385      0.00000
      9      10.6843      0.00000
     10      12.0000      0.00000
     11      12.8426      0.00000
     12      13.3269      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0443      2.00000
      2       0.9234      2.00000
      3       1.4732      2.00000
      4       3.5893      2.00000
      5       5.0858      1.99998
      6       6.9417      0.00212
      7       7.5432      0.00001
      8       9.8488      0.00000
      9      10.6250      0.00000
     10      12.2732      0.00000
     11      12.9043      0.00000
     12      14.0817      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6272      2.00000
      2       0.5234      2.00000
      3       1.5468      2.00000
      4       3.1490      2.00000
      5       5.4266      1.99951
      6       6.6107      0.05659
      7       7.5337      0.00001
      8       9.4955      0.00000
      9      10.9375      0.00000
     10      11.9947      0.00000
     11      12.9251      0.00000
     12      14.5532      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9092      2.00000
      2      -0.4385      2.00000
      3       4.1805      2.00000
      4       5.4023      1.99961
      5       6.1455      1.50634
      6       7.2421      0.00011
      7       7.7982      0.00000
      8       8.9628      0.00000
      9       9.8226      0.00000
     10      11.9787      0.00000
     11      11.9957      0.00000
     12      13.3935      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8567      2.00000
      2      -0.3950      2.00000
      3       4.2279      2.00000
      4       5.2835      1.99988
      5       5.5688      1.99795
      6       6.8043      0.00837
      7       8.5644      0.00000
      8       9.4194      0.00000
      9       9.9376      0.00000
     10      11.2938      0.00000
     11      11.9793      0.00000
     12      13.0371      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6996      2.00000
      2      -0.2658      2.00000
      3       4.3505      2.00000
      4       4.3819      2.00000
      5       5.1956      1.99995
      6       6.2910      0.83184
      7       9.8178      0.00000
      8       9.8871      0.00000
      9      10.2775      0.00000
     10      10.5657      0.00000
     11      11.5944      0.00000
     12      12.9145      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4392      2.00000
      2      -0.0567      2.00000
      3       3.3443      2.00000
      4       4.4073      2.00000
      5       4.7641      2.00000
      6       6.2227      1.16990
      7       9.2545      0.00000
      8      10.1342      0.00000
      9      10.8084      0.00000
     10      11.1166      0.00000
     11      11.5780      0.00000
     12      13.5029      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0785      2.00000
      2       0.2186      2.00000
      3       2.3939      2.00000
      4       3.7755      2.00000
      5       5.0107      1.99999
      6       6.3860      0.43177
      7       8.3430      0.00000
      8      10.0597      0.00000
      9      10.5393      0.00000
     10      11.6788      0.00000
     11      13.0024      0.00000
     12      13.6831      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6276      2.00000
      2       0.5224      2.00000
      3       1.5482      2.00000
      4       3.1493      2.00000
      5       5.4262      1.99951
      6       6.6097      0.05714
      7       7.5350      0.00001
      8       9.4958      0.00000
      9      10.9369      0.00000
     10      11.9958      0.00000
     11      12.9219      0.00000
     12      14.5717      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1446      2.00000
      2       0.7128      2.00000
      3       0.9158      2.00000
      4       2.7411      2.00000
      5       5.8699      1.95922
      6       6.7426      0.01546
      7       6.9370      0.00223
      8       9.1431      0.00000
      9      11.3812      0.00000
     10      12.1283      0.00000
     11      12.3513      0.00000
     12      14.6315      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7449      2.00000
      2       1.7585      2.00000
      3       2.3747      2.00000
      4       5.2118      1.99994
      5       6.3569      0.53862
      6       7.4620      0.00001
      7       9.7144      0.00000
      8       9.7383      0.00000
      9      10.0226      0.00000
     10      10.3504      0.00000
     11      11.2967      0.00000
     12      12.4489      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6950      2.00000
      2       1.8104      2.00000
      3       2.4029      2.00000
      4       4.5782      2.00000
      5       6.6575      0.03582
      6       7.9160      0.00000
      7       8.9634      0.00000
      8       9.4175      0.00000
      9       9.9077      0.00000
     10      10.6803      0.00000
     11      11.9784      0.00000
     12      12.8245      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5457      2.00000
      2       1.9658      2.00000
      3       2.4549      2.00000
      4       3.6350      2.00000
      5       6.8615      0.00473
      6       7.9190      0.00000
      7       8.5419      0.00000
      8       9.1060      0.00000
      9      10.0670      0.00000
     10      10.9296      0.00000
     11      13.0345      0.00000
     12      13.1115      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2998      2.00000
      2       2.2040      2.00000
      3       2.2489      2.00000
      4       3.0642      2.00000
      5       6.8725      0.00424
      6       6.9265      0.00247
      7       7.9361      0.00000
      8      10.3014      0.00000
      9      10.3359      0.00000
     10      11.1692      0.00000
     11      12.3425      0.00000
     12      13.7475      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9641      2.00000
      2       1.4826      2.00000
      3       2.5853      2.00000
      4       3.1523      2.00000
      5       5.9566      1.90558
      6       6.5460      0.10536
      7       7.8189      0.00000
      8      10.6566      0.00000
      9      10.8593      0.00000
     10      11.3761      0.00000
     11      12.5431      0.00000
     12      13.5790      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5594      2.00000
      2       0.7257      2.00000
      3       3.0404      2.00000
      4       3.3925      2.00000
      5       5.1081      1.99998
      6       6.0269      1.81801
      7       8.0341      0.00000
      8      10.4481      0.00000
      9      11.0939      0.00000
     10      11.5087      0.00000
     11      12.9315      0.00000
     12      13.9452      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1782      2.00000
      2       0.1603      2.00000
      3       3.5564      2.00000
      4       3.5893      2.00000
      5       4.3944      2.00000
      6       5.6729      1.99421
      7       8.2576      0.00000
      8      10.0633      0.00000
      9      11.5977      0.00000
     10      11.6310      0.00000
     11      12.2886      0.00000
     12      14.0097      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4128      2.00000
      2       1.0737      2.00000
      3       2.4667      2.00000
      4       5.5473      1.99835
      5       5.7101      1.99161
      6       7.5425      0.00001
      7       8.9163      0.00000
      8      10.0107      0.00000
      9      10.2125      0.00000
     10      11.0963      0.00000
     11      11.4299      0.00000
     12      12.6277      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3625      2.00000
      2       1.1212      2.00000
      3       2.5047      2.00000
      4       4.8555      2.00000
      5       5.9046      1.94276
      6       8.0900      0.00000
      7       8.3616      0.00000
      8       9.6054      0.00000
      9      10.3426      0.00000
     10      11.5403      0.00000
     11      11.7843      0.00000
     12      12.8227      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2122      2.00000
      2       1.2612      2.00000
      3       2.6054      2.00000
      4       3.8915      2.00000
      5       6.0099      1.84421
      6       7.3201      0.00005
      7       8.6497      0.00000
      8       9.4230      0.00000
      9      10.6274      0.00000
     10      11.8626      0.00000
     11      12.3521      0.00000
     12      12.6929      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       1.4798      2.00000
      3       2.5876      2.00000
      4       3.1529      2.00000
      5       5.9554      1.90660
      6       6.5461      0.10529
      7       7.8208      0.00000
      8      10.6602      0.00000
      9      10.8630      0.00000
     10      11.3729      0.00000
     11      12.5412      0.00000
     12      13.5757      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6253      2.00000
      2       1.6025      2.00000
      3       2.0840      2.00000
      4       3.2267      2.00000
      5       5.3112      1.99984
      6       6.3063      0.75848
      7       7.2570      0.00009
      8      10.3471      0.00000
      9      11.2283      0.00000
     10      12.2105      0.00000
     11      13.0098      0.00000
     12      13.9548      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2139      2.00000
      2       1.0102      2.00000
      3       2.2962      2.00000
      4       3.5066      2.00000
      5       4.5846      2.00000
      6       5.9184      1.93456
      7       7.2072      0.00015
      8       9.7502      0.00000
      9      11.6135      0.00000
     10      12.7687      0.00000
     11      13.6177      0.00000
     12      14.2494      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8185      2.00000
      2       0.4457      2.00000
      3       2.6375      2.00000
      4       3.7109      2.00000
      5       4.0851      2.00000
      6       5.5498      1.99831
      7       7.3392      0.00004
      8       9.3712      0.00000
      9      11.9761      0.00000
     10      12.8706      0.00000
     11      13.3041      0.00000
     12      14.8957      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0152      2.00000
      2       0.3191      2.00000
      3       2.8108      2.00000
      4       5.0226      1.99999
      5       5.9628      1.89986
      6       7.8075      0.00000
      7       8.1100      0.00000
      8       9.7729      0.00000
      9      10.5953      0.00000
     10      11.1205      0.00000
     11      12.1674      0.00000
     12      12.9261      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9642      2.00000
      2       0.3652      2.00000
      3       2.8542      2.00000
      4       4.9215      2.00000
      5       5.4915      1.99905
      6       7.5307      0.00001
      7       8.5262      0.00000
      8       9.9358      0.00000
      9      10.3466      0.00000
     10      11.2554      0.00000
     11      12.3461      0.00000
     12      12.8078      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8118      2.00000
      2       0.5021      2.00000
      3       2.9778      2.00000
      4       4.2004      2.00000
      5       5.2611      1.99991
      6       6.6671      0.03259
      7       8.9718      0.00000
      8       9.7832      0.00000
      9      10.8983      0.00000
     10      11.3873      0.00000
     11      12.0382      0.00000
     12      13.5770      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5601      2.00000
      2       0.7236      2.00000
      3       3.0427      2.00000
      4       3.3930      2.00000
      5       5.1071      1.99998
      6       6.0272      1.81753
      7       8.0362      0.00000
      8      10.4489      0.00000
      9      11.1011      0.00000
     10      11.5079      0.00000
     11      12.9383      0.00000
     12      13.9323      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2142      2.00000
      2       1.0084      2.00000
      3       2.2985      2.00000
      4       3.5065      2.00000
      5       4.5842      2.00000
      6       5.9178      1.93494
      7       7.2086      0.00015
      8       9.7507      0.00000
      9      11.6139      0.00000
     10      12.7732      0.00000
     11      13.6231      0.00000
     12      14.2372      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7903      2.00000
      2       1.1838      2.00000
      3       1.6821      2.00000
      4       3.5567      2.00000
      5       4.2309      2.00000
      6       5.9056      1.94221
      7       6.6380      0.04338
      8       9.1728      0.00000
      9      12.0175      0.00000
     10      13.6239      0.00000
     11      14.1924      0.00000
     12      14.3686      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3685      2.00000
      2       0.7656      2.00000
      3       1.7966      2.00000
      4       3.2301      2.00000
      5       4.4110      2.00000
      6       5.6391      1.99587
      7       6.5277      0.12523
      8       8.8311      0.00000
      9      12.3971      0.00000
     10      13.3717      0.00000
     11      14.3274      0.00000
     12      14.8131      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6484      2.00000
      2      -0.2344      2.00000
      3       3.1437      2.00000
      4       4.5132      2.00000
      5       6.3865      0.43010
      6       7.4837      0.00001
      7       8.0583      0.00000
      8       9.4712      0.00000
      9      10.9522      0.00000
     10      11.2558      0.00000
     11      12.3579      0.00000
     12      12.4911      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5960      2.00000
      2      -0.1897      2.00000
      3       3.1929      2.00000
      4       4.5139      2.00000
      5       5.7275      1.99002
      6       7.0011      0.00117
      7       8.8235      0.00000
      8      10.0003      0.00000
      9      10.3208      0.00000
     10      11.2902      0.00000
     11      11.8082      0.00000
     12      13.0921      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4392      2.00000
      2      -0.0570      2.00000
      3       3.3389      2.00000
      4       4.4082      2.00000
      5       4.7681      2.00000
      6       6.2247      1.16042
      7       9.2522      0.00000
      8      10.1454      0.00000
      9      10.8120      0.00000
     10      11.1141      0.00000
     11      11.5720      0.00000
     12      13.5000      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1792      2.00000
      2       0.1587      2.00000
      3       3.5538      2.00000
      4       3.5955      2.00000
      5       4.3921      2.00000
      6       5.6737      1.99416
      7       8.2594      0.00000
      8      10.0650      0.00000
      9      11.6026      0.00000
     10      11.6342      0.00000
     11      12.2905      0.00000
     12      14.0103      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8192      2.00000
      2       0.4443      2.00000
      3       2.6398      2.00000
      4       3.7129      2.00000
      5       4.0823      2.00000
      6       5.5497      1.99831
      7       7.3406      0.00004
      8       9.3721      0.00000
      9      11.9755      0.00000
     10      12.8760      0.00000
     11      13.3054      0.00000
     12      14.9068      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3689      2.00000
      2       0.7644      2.00000
      3       1.7981      2.00000
      4       3.2305      2.00000
      5       4.4102      2.00000
      6       5.6389      1.99587
      7       6.5285      0.12424
      8       8.8314      0.00000
      9      12.3966      0.00000
     10      13.3738      0.00000
     11      14.3130      0.00000
     12      14.8397      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1142      2.00000
      2       0.9736      2.00000
      3       1.1679      2.00000
      4       2.8310      2.00000
      5       4.8462      2.00000
      6       5.7042      1.99209
      7       5.9227      1.93179
      8       8.5233      0.00000
      9      12.8423      0.00000
     10      13.5696      0.00000
     11      13.7797      0.00000
     12      15.8050      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0763      2.00000
      2       1.1333      2.00000
      3       1.7976      2.00000
      4       4.9103      2.00000
      5       5.8822      1.95400
      6       7.7997      0.00000
      7       9.1284      0.00000
      8       9.3953      0.00000
      9      10.4751      0.00000
     10      11.3195      0.00000
     11      11.9487      0.00000
     12      12.7731      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0257      2.00000
      2       1.1855      2.00000
      3       1.8351      2.00000
      4       4.8108      2.00000
      5       5.4372      1.99945
      6       8.3652      0.00000
      7       8.4740      0.00000
      8       8.9574      0.00000
      9      11.1918      0.00000
     10      11.8085      0.00000
     11      12.0378      0.00000
     12      12.1533      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8747      2.00000
      2       1.3419      2.00000
      3       1.9417      2.00000
      4       4.1220      2.00000
      5       5.2377      1.99993
      6       7.3409      0.00004
      7       8.0509      0.00000
      8       9.7378      0.00000
      9      11.2773      0.00000
     10      11.8831      0.00000
     11      12.5386      0.00000
     12      12.7975      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6254      2.00000
      2       1.6015      2.00000
      3       2.0814      2.00000
      4       3.2302      2.00000
      5       5.3090      1.99985
      6       6.3095      0.74344
      7       7.2572      0.00009
      8      10.3476      0.00000
      9      11.2350      0.00000
     10      12.2084      0.00000
     11      13.0068      0.00000
     12      13.9574      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2836      2.00000
      2       1.9422      2.00000
      3       1.9874      2.00000
      4       2.6960      2.00000
      5       5.3320      1.99981
      6       5.3801      1.99969
      7       6.6489      0.03896
      8       9.6501      0.00000
      9      12.5450      0.00000
     10      12.5827      0.00000
     11      13.5021      0.00000
     12      14.7094      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8668      2.00000
      2       1.3219      2.00000
      3       2.4216      2.00000
      4       2.8151      2.00000
      5       4.5022      2.00000
      6       5.1994      1.99995
      7       6.4041      0.37373
      8       9.0726      0.00000
      9      12.9854      0.00000
     10      13.3068      0.00000
     11      14.5945      0.00000
     12      14.7300      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4593      2.00000
      2       0.7479      2.00000
      3       2.9390      2.00000
      4       2.9946      2.00000
      5       3.7856      2.00000
      6       4.9652      2.00000
      7       6.4164      0.33780
      8       8.7329      0.00000
      9      13.4600      0.00000
     10      13.5724      0.00000
     11      14.1446      0.00000
     12      15.4855      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6704      2.00000
      2       0.5788      2.00000
      3       1.9129      2.00000
      4       4.2052      2.00000
      5       6.2971      0.80260
      6       8.1222      0.00000
      7       8.4347      0.00000
      8       9.6703      0.00000
      9      10.1382      0.00000
     10      11.5182      0.00000
     11      11.9915      0.00000
     12      12.4960      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6193      2.00000
      2       0.6274      2.00000
      3       1.9574      2.00000
      4       4.2126      2.00000
      5       5.7057      1.99197
      6       7.8230      0.00000
      7       8.8175      0.00000
      8       9.0983      0.00000
      9      10.8255      0.00000
     10      11.4668      0.00000
     11      12.1855      0.00000
     12      12.6129      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4666      2.00000
      2       0.7721      2.00000
      3       2.0887      2.00000
      4       4.1380      2.00000
      5       4.8473      2.00000
      6       6.8548      0.00506
      7       8.1243      0.00000
      8      10.0446      0.00000
      9      10.6874      0.00000
     10      12.0050      0.00000
     11      12.8449      0.00000
     12      13.3190      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2143      2.00000
      2       1.0081      2.00000
      3       2.2945      2.00000
      4       3.5100      2.00000
      5       4.5837      2.00000
      6       5.9201      1.93350
      7       7.2086      0.00015
      8       9.7512      0.00000
      9      11.6219      0.00000
     10      12.7695      0.00000
     11      13.6264      0.00000
     12      14.2361      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8671      2.00000
      2       1.3197      2.00000
      3       2.4238      2.00000
      4       2.8152      2.00000
      5       4.5011      2.00000
      6       5.2002      1.99995
      7       6.4052      0.37043
      8       9.0732      0.00000
      9      12.9917      0.00000
     10      13.3057      0.00000
     11      14.6474      0.00000
     12      14.6712      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4402      2.00000
      2       1.5458      2.00000
      3       1.9426      2.00000
      4       2.9866      2.00000
      5       4.0277      2.00000
      6       4.9509      2.00000
      7       5.8228      1.97433
      8       8.5464      0.00000
      9      13.5350      0.00000
     10      14.5088      0.00000
     11      15.1191      0.00000
     12      15.2270      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0100      2.00000
      2       1.0945      2.00000
      3       2.1393      2.00000
      4       3.2158      2.00000
      5       3.5684      2.00000
      6       4.7723      2.00000
      7       5.6026      1.99713
      8       8.2498      0.00000
      9      13.9380      0.00000
     10      14.7533      0.00000
     11      15.1616      0.00000
     12      15.7467      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2871      2.00000
      2       0.0328      2.00000
      3       2.1890      2.00000
      4       3.7182      2.00000
      5       6.7204      0.01925
      6       7.8128      0.00000
      7       8.4098      0.00000
      8       9.7709      0.00000
      9      10.0363      0.00000
     10      11.4215      0.00000
     11      11.6749      0.00000
     12      12.7856      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2349      2.00000
      2       0.0794      2.00000
      3       2.2391      2.00000
      4       3.7358      2.00000
      5       6.0591      1.75735
      6       7.2829      0.00007
      7       9.1412      0.00000
      8       9.3998      0.00000
      9      10.3139      0.00000
     10      11.0875      0.00000
     11      12.4084      0.00000
     12      12.8551      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0785      2.00000
      2       0.2179      2.00000
      3       2.3888      2.00000
      4       3.7746      2.00000
      5       5.0171      1.99999
      6       6.3884      0.42396
      7       8.3425      0.00000
      8      10.0617      0.00000
      9      10.5488      0.00000
     10      11.6832      0.00000
     11      13.0043      0.00000
     12      13.6730      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8191      2.00000
      2       0.4439      2.00000
      3       2.6347      2.00000
      4       3.7140      2.00000
      5       4.0861      2.00000
      6       5.5510      1.99829
      7       7.3406      0.00004
      8       9.3728      0.00000
      9      11.9851      0.00000
     10      12.8785      0.00000
     11      13.2998      0.00000
     12      14.9028      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4599      2.00000
      2       0.7462      2.00000
      3       2.9387      2.00000
      4       2.9979      2.00000
      5       3.7833      2.00000
      6       4.9663      2.00000
      7       6.4177      0.33421
      8       8.7339      0.00000
      9      13.4667      0.00000
     10      13.5730      0.00000
     11      14.1481      0.00000
     12      15.4881      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0103      2.00000
      2       1.0931      2.00000
      3       2.1411      2.00000
      4       3.2174      2.00000
      5       3.5658      2.00000
      6       4.7730      2.00000
      7       5.6030      1.99712
      8       8.2502      0.00000
      9      13.9376      0.00000
     10      14.7589      0.00000
     11      15.1554      0.00000
     12      15.7631      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4733      2.00000
      2       1.3362      2.00000
      3       1.5145      2.00000
      4       2.9328      2.00000
      5       3.9046      2.00000
      6       4.7476      2.00000
      7       4.9894      1.99999
      8       7.9841      0.00000
      9      14.3815      0.00000
     10      15.0508      0.00000
     11      15.2629      0.00000
     12      16.4020      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2492      2.00000
      2       0.7132      2.00000
      3       1.2941      2.00000
      4       3.5170      2.00000
      5       6.7115      0.02104
      6       8.4901      0.00000
      7       8.7452      0.00000
      8       8.9516      0.00000
      9      10.1883      0.00000
     10      11.0420      0.00000
     11      11.1949      0.00000
     12      13.5212      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1979      2.00000
      2       0.7655      2.00000
      3       1.3384      2.00000
      4       3.5380      2.00000
      5       6.0886      1.68705
      6       8.0165      0.00000
      7       8.4391      0.00000
      8       9.2219      0.00000
      9      10.6926      0.00000
     10      10.9885      0.00000
     11      11.7595      0.00000
     12      13.9293      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0443      2.00000
      2       0.9224      2.00000
      3       1.4690      2.00000
      4       3.5884      2.00000
      5       5.0913      1.99998
      6       6.9456      0.00204
      7       7.5428      0.00001
      8       9.8503      0.00000
      9      10.6330      0.00000
     10      12.2832      0.00000
     11      12.9098      0.00000
     12      14.0719      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7903      2.00000
      2       1.1830      2.00000
      3       1.6782      2.00000
      4       3.5573      2.00000
      5       4.2340      2.00000
      6       5.9089      1.94034
      7       6.6374      0.04364
      8       9.1737      0.00000
      9      12.0261      0.00000
     10      13.6366      0.00000
     11      14.2019      0.00000
     12      14.3535      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4401      2.00000
      2       1.5451      2.00000
      3       1.9391      2.00000
      4       2.9901      2.00000
      5       4.0269      2.00000
      6       4.9537      2.00000
      7       5.8221      1.97450
      8       8.5469      0.00000
      9      13.5434      0.00000
     10      14.5112      0.00000
     11      15.1274      0.00000
     12      15.2159      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0067      2.00000
      2       1.9833      2.00000
      3       2.0277      2.00000
      4       2.4585      2.00000
      5       4.0720      2.00000
      6       4.1174      2.00000
      7       5.1656      1.99996
      8       8.0757      0.00000
      9      14.9436      0.00000
     10      14.9800      0.00000
     11      15.8011      0.00000
     12      15.9527      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4395      2.00000
      2       1.4859      2.00000
      3       2.5223      2.00000
      4       2.5917      2.00000
      5       3.3777      2.00000
      6       4.1196      2.00000
      7       4.7874      2.00000
      8       7.8188      0.00000
      9      15.4010      0.00000
     10      15.6058      0.00000
     11      15.9893      0.00000
     12      16.8380      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8352      2.00000
      2       0.3245      2.00000
      3       1.3407      2.00000
      4       3.0670      2.00000
      5       7.1369      0.00030
      6       8.2058      0.00000
      7       8.8382      0.00000
      8       9.2333      0.00000
      9       9.9532      0.00000
     10      10.6198      0.00000
     11      10.9041      0.00000
     12      13.4419      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7831      2.00000
      2       0.3739      2.00000
      3       1.3914      2.00000
      4       3.0886      2.00000
      5       6.4792      0.19570
      6       7.6037      0.00000
      7       8.5587      0.00000
      8       9.5917      0.00000
      9      10.1480      0.00000
     10      10.7982      0.00000
     11      11.6545      0.00000
     12      13.8594      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6271      2.00000
      2       0.5213      2.00000
      3       1.5427      2.00000
      4       3.1491      2.00000
      5       5.4332      1.99947
      6       6.6122      0.05579
      7       7.5342      0.00001
      8       9.4977      0.00000
      9      10.9466      0.00000
     10      12.0022      0.00000
     11      12.9312      0.00000
     12      14.5548      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3684      2.00000
      2       0.7636      2.00000
      3       1.7926      2.00000
      4       3.2305      2.00000
      5       4.4163      2.00000
      6       5.6405      1.99581
      7       6.5279      0.12492
      8       8.8326      0.00000
      9      12.4067      0.00000
     10      13.3807      0.00000
     11      14.3331      0.00000
     12      14.8115      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0099      2.00000
      2       1.0926      2.00000
      3       2.1356      2.00000
      4       3.2192      2.00000
      5       3.5698      2.00000
      6       4.7739      2.00000
      7       5.6025      1.99713
      8       8.2507      0.00000
      9      13.9478      0.00000
     10      14.7652      0.00000
     11      15.1544      0.00000
     12      15.7568      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4394      2.00000
      2       1.4840      2.00000
      3       2.5228      2.00000
      4       2.5939      2.00000
      5       3.3753      2.00000
      6       4.1216      2.00000
      7       4.7874      2.00000
      8       7.8192      0.00000
      9      15.4082      0.00000
     10      15.6035      0.00000
     11      15.9948      0.00000
     12      16.8486      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9251      2.00000
      2       1.7948      2.00000
      3       1.9390      2.00000
      4       2.9362      2.00000
      5       3.1578      2.00000
      6       3.8897      2.00000
      7       4.1632      2.00000
      8       7.5870      0.00000
      9      15.9331      0.00000
     10      16.4591      0.00000
     11      16.7042      0.00000
     12      16.8294      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3501      2.00000
      2       0.5022      2.00000
      3       0.7039      2.00000
      4       2.6609      2.00000
      5       7.5737      0.00000
      6       8.5322      0.00000
      7       8.6128      0.00000
      8       9.3275      0.00000
      9      10.0028      0.00000
     10      10.0678      0.00000
     11      10.2918      0.00000
     12      13.3357      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2980      2.00000
      2       0.5547      2.00000
      3       0.7550      2.00000
      4       2.6818      2.00000
      5       6.9233      0.00255
      6       7.8207      0.00000
      7       7.9666      0.00000
      8       9.7180      0.00000
      9      10.0937      0.00000
     10      10.8132      0.00000
     11      11.0617      0.00000
     12      13.7188      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1421      2.00000
      2       0.7118      2.00000
      3       0.9076      2.00000
      4       2.7417      2.00000
      5       5.8791      1.95537
      6       6.7465      0.01486
      7       6.9325      0.00233
      8       9.1454      0.00000
      9      11.3918      0.00000
     10      12.1372      0.00000
     11      12.3550      0.00000
     12      14.6355      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1167      2.00000
      2       0.9727      2.00000
      3       1.1599      2.00000
      4       2.8318      2.00000
      5       4.8544      2.00000
      6       5.7075      1.99183
      7       5.9185      1.93448
      8       8.5248      0.00000
      9      12.8539      0.00000
     10      13.5797      0.00000
     11      13.7840      0.00000
     12      15.8102      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4758      2.00000
      2       1.3355      2.00000
      3       1.5065      2.00000
      4       2.9338      2.00000
      5       3.9121      2.00000
      6       4.7504      2.00000
      7       4.9853      1.99999
      8       7.9849      0.00000
      9      14.3937      0.00000
     10      15.0624      0.00000
     11      15.2687      0.00000
     12      16.3918      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9272      2.00000
      2       1.7942      2.00000
      3       1.9308      2.00000
      4       2.9409      2.00000
      5       3.1611      2.00000
      6       3.8922      2.00000
      7       4.1595      2.00000
      8       7.5873      0.00000
      9      15.9438      0.00000
     10      16.4748      0.00000
     11      16.7169      0.00000
     12      16.8101      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4222      2.00000
      2       2.2954      2.00000
      3       2.3298      2.00000
      4       2.3731      2.00000
      5       3.1542      2.00000
      6       3.1904      2.00000
      7       3.5024      2.00000
      8       7.3751      0.00003
      9      17.2331      0.00000
     10      17.2760      0.00000
     11      17.4613      0.00000
     12      17.9439      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6393      2.00000
      3       4.3767      2.00000
      4       4.3825      2.00000
      5       5.6036      1.99710
      6       6.1559      1.46679
      7       7.7989      0.00000
      8      11.5711      0.00000
      9      11.5750      0.00000
     10      12.1711      0.00000
     11      12.8613      0.00000
     12      12.9878      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5639      2.00000
      3       3.8395      2.00000
      4       4.4258      2.00000
      5       5.9317      1.92562
      6       6.5079      0.15060
      7       7.9519      0.00000
      8      10.8393      0.00000
      9      11.4719      0.00000
     10      11.8599      0.00000
     11      12.3599      0.00000
     12      12.8468      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6482      2.00000
      3       3.8797      2.00000
      4       4.5725      2.00000
      5       6.1432      1.51479
      6       7.1342      0.00031
      7       8.6200      0.00000
      8       9.8313      0.00000
      9      10.4992      0.00000
     10      11.7966      0.00000
     11      11.8385      0.00000
     12      12.8760      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6632      2.00000
      3       4.1140      2.00000
      4       4.8157      2.00000
      5       6.3876      0.42666
      6       7.4361      0.00002
      7       8.8239      0.00000
      8       9.4691      0.00000
      9       9.9015      0.00000
     10      10.9781      0.00000
     11      12.0630      0.00000
     12      12.5069      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7612      2.00000
      3       4.4430      2.00000
      4       5.1517      1.99997
      5       6.6768      0.02962
      6       7.5836      0.00000
      7       8.0365      0.00000
      8       8.5353      0.00000
      9      10.1147      0.00000
     10      11.3513      0.00000
     11      12.1178      0.00000
     12      12.3805      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4178      2.00000
      2      -0.0160      2.00000
      3       4.8472      2.00000
      4       5.5679      1.99797
      5       6.7511      0.01421
      6       7.4459      0.00001
      7       7.7192      0.00000
      8       7.8874      0.00000
      9       9.3428      0.00000
     10      11.6165      0.00000
     11      12.7608      0.00000
     12      13.0945      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0651      2.00000
      2      -0.5632      2.00000
      3       5.2472      1.99992
      4       5.9923      1.86767
      5       6.3377      0.61740
      6       7.0944      0.00046
      7       7.6139      0.00000
      8       8.1126      0.00000
      9       8.6758      0.00000
     10      11.4437      0.00000
     11      13.1054      0.00000
     12      14.1350      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6113      2.00000
      3       4.5234      2.00000
      4       4.5292      2.00000
      5       5.7618      1.98596
      6       6.7609      0.01288
      7       8.5681      0.00000
      8      10.4539      0.00000
      9      10.4604      0.00000
     10      11.4063      0.00000
     11      12.8064      0.00000
     12      13.0047      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6440      2.00000
      3       3.8847      2.00000
      4       4.5725      2.00000
      5       6.1445      1.50999
      6       7.1356      0.00031
      7       8.6172      0.00000
      8       9.8318      0.00000
      9      10.4947      0.00000
     10      11.7929      0.00000
     11      11.8434      0.00000
     12      12.8731      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5821      2.00000
      3       3.0714      2.00000
      4       4.7191      2.00000
      5       6.4075      0.36363
      6       8.0478      0.00000
      7       8.6540      0.00000
      8       9.1593      0.00000
      9      10.4931      0.00000
     10      10.8464      0.00000
     11      11.8451      0.00000
     12      12.6315      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7730      2.00000
      3       3.1254      2.00000
      4       4.9622      2.00000
      5       6.5662      0.08690
      6       7.9152      0.00000
      7       8.5965      0.00000
      8       9.6058      0.00000
      9      10.0303      0.00000
     10      10.9281      0.00000
     11      11.3350      0.00000
     12      12.6358      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6586      2.00000
      2       0.8882      2.00000
      3       3.4284      2.00000
      4       5.2981      1.99986
      5       6.4570      0.23844
      6       7.4663      0.00001
      7       8.6790      0.00000
      8       8.8188      0.00000
      9      10.6475      0.00000
     10      11.2414      0.00000
     11      11.5029      0.00000
     12      12.5263      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2655      2.00000
      2       0.1136      2.00000
      3       3.8127      2.00000
      4       5.7139      1.99128
      5       5.9142      1.93718
      6       7.5783      0.00000
      7       7.8647      0.00000
      8       8.9533      0.00000
      9      10.1177      0.00000
     10      11.6260      0.00000
     11      12.2061      0.00000
     12      12.8464      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9078      2.00000
      2      -0.4368      2.00000
      3       4.1812      2.00000
      4       5.4041      1.99960
      5       6.1377      1.53468
      6       7.2411      0.00011
      7       7.7968      0.00000
      8       8.9566      0.00000
      9       9.8272      0.00000
     10      11.9805      0.00000
     11      11.9849      0.00000
     12      13.3907      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6183      2.00000
      3       4.7666      2.00000
      4       4.7722      2.00000
      5       6.0245      1.82197
      6       7.0456      0.00075
      7       9.4179      0.00000
      8       9.4254      0.00000
      9       9.8371      0.00000
     10      10.5260      0.00000
     11      12.3264      0.00000
     12      13.2378      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1370      2.00000
      2       1.6596      2.00000
      3       4.1191      2.00000
      4       4.8156      2.00000
      5       6.3885      0.42341
      6       7.4389      0.00001
      7       8.8271      0.00000
      8       9.4649      0.00000
      9       9.8981      0.00000
     10      10.9715      0.00000
     11      12.0679      0.00000
     12      12.5031      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9887      2.00000
      2       1.7697      2.00000
      3       3.1294      2.00000
      4       4.9622      2.00000
      5       6.5661      0.08702
      6       7.9159      0.00000
      7       8.6018      0.00000
      8       9.6018      0.00000
      9      10.0257      0.00000
     10      10.9324      0.00000
     11      11.3315      0.00000
     12      12.6368      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7612      2.00000
      3       2.3758      2.00000
      4       5.2051      1.99995
      5       6.3578      0.53486
      6       7.4619      0.00001
      7       9.7076      0.00000
      8       9.7396      0.00000
      9      10.0225      0.00000
     10      10.3527      0.00000
     11      11.2947      0.00000
     12      12.4465      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4122      2.00000
      2       1.0769      2.00000
      3       2.4669      2.00000
      4       5.5406      1.99845
      5       5.7122      1.99143
      6       7.5415      0.00001
      7       8.9122      0.00000
      8      10.0090      0.00000
      9      10.2072      0.00000
     10      11.0932      0.00000
     11      11.4349      0.00000
     12      12.6275      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0142      2.00000
      2       0.3216      2.00000
      3       2.8113      2.00000
      4       5.0244      1.99999
      5       5.9560      1.90612
      6       7.8090      0.00000
      7       8.1042      0.00000
      8       9.7687      0.00000
      9      10.5904      0.00000
     10      11.1188      0.00000
     11      12.1651      0.00000
     12      12.9241      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6470      2.00000
      2      -0.2325      2.00000
      3       3.1446      2.00000
      4       4.5146      2.00000
      5       6.3790      0.45617
      6       7.4826      0.00001
      7       8.0572      0.00000
      8       9.4652      0.00000
      9      10.9509      0.00000
     10      11.2497      0.00000
     11      12.3626      0.00000
     12      12.4817      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8588      2.00000
      2       0.7146      2.00000
      3       5.1027      1.99998
      4       5.1080      1.99998
      5       6.3896      0.41976
      6       7.2202      0.00013
      7       8.4832      0.00000
      8       8.4920      0.00000
      9       9.6535      0.00000
     10      11.2265      0.00000
     11      12.0093      0.00000
     12      13.5461      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7582      2.00000
      3       4.4481      2.00000
      4       5.1516      1.99997
      5       6.6766      0.02968
      6       7.5869      0.00000
      7       8.0405      0.00000
      8       8.5315      0.00000
      9      10.1191      0.00000
     10      11.3383      0.00000
     11      12.1134      0.00000
     12      12.3853      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6590      2.00000
      2       0.8853      2.00000
      3       3.4325      2.00000
      4       5.2980      1.99986
      5       6.4569      0.23864
      6       7.4672      0.00001
      7       8.6753      0.00000
      8       8.8248      0.00000
      9      10.6508      0.00000
     10      11.2457      0.00000
     11      11.4918      0.00000
     12      12.5248      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0744      2.00000
      3       2.4699      2.00000
      4       5.5406      1.99845
      5       5.7125      1.99141
      6       7.5413      0.00001
      7       8.9087      0.00000
      8      10.0143      0.00000
      9      10.2111      0.00000
     10      11.0946      0.00000
     11      11.4298      0.00000
     12      12.6270      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0757      2.00000
      2       1.1359      2.00000
      3       1.7985      2.00000
      4       4.9126      2.00000
      5       5.8757      1.95681
      6       7.7987      0.00000
      7       9.1179      0.00000
      8       9.3945      0.00000
      9      10.4713      0.00000
     10      11.3180      0.00000
     11      11.9577      0.00000
     12      12.7743      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6694      2.00000
      2       0.5815      2.00000
      3       1.9135      2.00000
      4       4.2068      2.00000
      5       6.2906      0.83401
      6       8.1244      0.00000
      7       8.4284      0.00000
      8       9.6632      0.00000
      9      10.1317      0.00000
     10      11.5167      0.00000
     11      11.9904      0.00000
     12      12.4938      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2859      2.00000
      2       0.0349      2.00000
      3       2.1902      2.00000
      4       3.7192      2.00000
      5       6.7133      0.02067
      6       7.8116      0.00000
      7       8.4099      0.00000
      8       9.7658      0.00000
      9      10.0241      0.00000
     10      11.4220      0.00000
     11      11.6696      0.00000
     12      12.7866      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4695      2.00000
      2      -0.0624      2.00000
      3       5.5191      1.99875
      4       5.5239      1.99869
      5       6.8531      0.00514
      6       7.3440      0.00004
      7       7.6666      0.00000
      8       7.6798      0.00000
      9       8.8364      0.00000
     10      11.4219      0.00000
     11      13.1286      0.00000
     12      13.8913      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0185      2.00000
      3       4.8524      2.00000
      4       5.5679      1.99797
      5       6.7500      0.01436
      6       7.4487      0.00001
      7       7.7154      0.00000
      8       7.8929      0.00000
      9       9.3452      0.00000
     10      11.6134      0.00000
     11      12.7655      0.00000
     12      13.0837      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2662      2.00000
      2       0.1112      2.00000
      3       3.8168      2.00000
      4       5.7140      1.99128
      5       5.9149      1.93677
      6       7.5777      0.00000
      7       7.8610      0.00000
      8       8.9596      0.00000
      9      10.1202      0.00000
     10      11.6304      0.00000
     11      12.2041      0.00000
     12      12.8443      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0147      2.00000
      2       0.3193      2.00000
      3       2.8146      2.00000
      4       5.0250      1.99999
      5       5.9561      1.90601
      6       7.8081      0.00000
      7       8.1006      0.00000
      8       9.7726      0.00000
      9      10.5943      0.00000
     10      11.1228      0.00000
     11      12.1651      0.00000
     12      12.9246      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6697      2.00000
      2       0.5796      2.00000
      3       1.9160      2.00000
      4       4.2071      2.00000
      5       6.2907      0.83329
      6       8.1237      0.00000
      7       8.4250      0.00000
      8       9.6667      0.00000
      9      10.1334      0.00000
     10      11.5163      0.00000
     11      11.9905      0.00000
     12      12.4996      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2484      2.00000
      2       0.7156      2.00000
      3       1.2954      2.00000
      4       3.5184      2.00000
      5       6.7055      0.02231
      6       8.5001      0.00000
      7       8.7247      0.00000
      8       8.9489      0.00000
      9      10.1847      0.00000
     10      11.0397      0.00000
     11      11.1899      0.00000
     12      13.5125      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8342      2.00000
      2       0.3269      2.00000
      3       1.3423      2.00000
      4       3.0675      2.00000
      5       7.1305      0.00032
      6       8.2042      0.00000
      7       8.8476      0.00000
      8       9.2121      0.00000
      9       9.9467      0.00000
     10      10.6197      0.00000
     11      10.8993      0.00000
     12      13.4367      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1186      2.00000
      2      -0.6080      2.00000
      3       5.9447      1.91574
      4       5.9483      1.91279
      5       7.0402      0.00079
      6       7.0408      0.00079
      7       7.4134      0.00002
      8       7.4228      0.00002
      9       8.1035      0.00000
     10      11.2690      0.00000
     11      14.1645      0.00000
     12      14.5262      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5653      2.00000
      3       5.2529      1.99991
      4       5.9932      1.86659
      5       6.3377      0.61725
      6       7.0899      0.00048
      7       7.6126      0.00000
      8       8.1214      0.00000
      9       8.6769      0.00000
     10      11.4408      0.00000
     11      13.1101      0.00000
     12      14.1392      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4389      2.00000
      3       4.1857      2.00000
      4       5.4048      1.99960
      5       6.1386      1.53141
      6       7.2367      0.00011
      7       7.7948      0.00000
      8       8.9630      0.00000
      9       9.8313      0.00000
     10      11.9825      0.00000
     11      11.9851      0.00000
     12      13.4138      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6476      2.00000
      2      -0.2345      2.00000
      3       3.1482      2.00000
      4       4.5151      2.00000
      5       6.3799      0.45279
      6       7.4783      0.00001
      7       8.0552      0.00000
      8       9.4692      0.00000
      9      10.9551      0.00000
     10      11.2560      0.00000
     11      12.3629      0.00000
     12      12.4823      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2863      2.00000
      2       0.0330      2.00000
      3       2.1930      2.00000
      4       3.7195      2.00000
      5       6.7142      0.02047
      6       7.8073      0.00000
      7       8.4081      0.00000
      8       9.7685      0.00000
      9      10.0281      0.00000
     10      11.4219      0.00000
     11      11.6701      0.00000
     12      12.7935      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8343      2.00000
      2       0.3252      2.00000
      3       1.3443      2.00000
      4       3.0676      2.00000
      5       7.1313      0.00032
      6       8.2000      0.00000
      7       8.8464      0.00000
      8       9.2160      0.00000
      9       9.9486      0.00000
     10      10.6194      0.00000
     11      10.8990      0.00000
     12      13.4351      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3496      2.00000
      2       0.5046      2.00000
      3       0.7065      2.00000
      4       2.6610      2.00000
      5       7.5689      0.00000
      6       8.5280      0.00000
      7       8.6113      0.00000
      8       9.3174      0.00000
      9      10.0081      0.00000
     10      10.0557      0.00000
     11      10.2879      0.00000
     12      13.3312      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6438      2.00000
      3       3.8795      2.00000
      4       4.5795      2.00000
      5       6.1459      1.50467
      6       7.1327      0.00031
      7       8.6170      0.00000
      8       9.8253      0.00000
      9      10.5032      0.00000
     10      11.7943      0.00000
     11      11.8425      0.00000
     12      12.8796      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6797      2.00000
      3       3.7665      2.00000
      4       4.1254      2.00000
      5       6.7045      0.02255
      6       7.3004      0.00006
      7       8.6616      0.00000
      8       9.6980      0.00000
      9      10.0557      0.00000
     10      11.1933      0.00000
     11      12.2586      0.00000
     12      13.2353      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6334      2.00000
      3       3.0700      2.00000
      4       4.1443      2.00000
      5       7.0868      0.00050
      6       8.0889      0.00000
      7       8.7027      0.00000
      8       9.0990      0.00000
      9       9.8202      0.00000
     10      10.4907      0.00000
     11      12.4848      0.00000
     12      13.1058      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8178      2.00000
      3       3.1477      2.00000
      4       4.3602      2.00000
      5       7.1864      0.00018
      6       8.0210      0.00000
      7       8.4998      0.00000
      8       9.1914      0.00000
      9       9.9028      0.00000
     10      10.6021      0.00000
     11      11.9390      0.00000
     12      13.1297      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9331      2.00000
      3       3.4592      2.00000
      4       4.6638      2.00000
      5       6.7388      0.01604
      6       7.8615      0.00000
      7       8.0763      0.00000
      8       9.1136      0.00000
      9      10.5286      0.00000
     10      11.1440      0.00000
     11      11.7101      0.00000
     12      12.8246      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       0.1584      2.00000
      3       3.8512      2.00000
      4       5.0214      1.99999
      5       6.0483      1.77944
      6       7.3004      0.00006
      7       8.2574      0.00000
      8       9.2719      0.00000
      9      10.4506      0.00000
     10      10.9435      0.00000
     11      12.3352      0.00000
     12      13.1558      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8553      2.00000
      2      -0.3932      2.00000
      3       4.2284      2.00000
      4       5.2810      1.99988
      5       5.5679      1.99797
      6       6.8021      0.00855
      7       8.5620      0.00000
      8       9.4137      0.00000
      9       9.9424      0.00000
     10      11.2843      0.00000
     11      11.9801      0.00000
     12      13.0359      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6595      2.00000
      3       4.1138      2.00000
      4       4.8225      2.00000
      5       6.3899      0.41889
      6       7.4361      0.00002
      7       8.8208      0.00000
      8       9.4732      0.00000
      9       9.8980      0.00000
     10      10.9715      0.00000
     11      12.0646      0.00000
     12      12.5079      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0873      2.00000
      2       1.7015      2.00000
      3       4.0183      2.00000
      4       4.3388      2.00000
      5       6.9464      0.00203
      6       7.5967      0.00000
      7       8.6975      0.00000
      8       9.0951      0.00000
      9       9.9679      0.00000
     10      11.3750      0.00000
     11      11.4273      0.00000
     12      12.7741      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9389      2.00000
      2       1.8145      2.00000
      3       3.1515      2.00000
      4       4.3603      2.00000
      5       7.1858      0.00019
      6       8.0219      0.00000
      7       8.5043      0.00000
      8       9.1895      0.00000
      9       9.8994      0.00000
     10      10.6043      0.00000
     11      11.9342      0.00000
     12      13.1312      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8131      2.00000
      3       2.4037      2.00000
      4       4.5731      2.00000
      5       6.6593      0.03518
      6       7.9144      0.00000
      7       8.9564      0.00000
      8       9.4168      0.00000
      9       9.9121      0.00000
     10      10.6813      0.00000
     11      11.9760      0.00000
     12      12.8206      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3619      2.00000
      2       1.1243      2.00000
      3       2.5047      2.00000
      4       4.8510      2.00000
      5       5.9062      1.94188
      6       8.0925      0.00000
      7       8.3531      0.00000
      8       9.6001      0.00000
      9      10.3429      0.00000
     10      11.5356      0.00000
     11      11.7920      0.00000
     12      12.8186      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9633      2.00000
      2       0.3677      2.00000
      3       2.8547      2.00000
      4       4.9213      2.00000
      5       5.4884      1.99908
      6       7.5292      0.00001
      7       8.5228      0.00000
      8       9.9292      0.00000
      9      10.3434      0.00000
     10      11.2554      0.00000
     11      12.3439      0.00000
     12      12.8026      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5947      2.00000
      2      -0.1878      2.00000
      3       3.1938      2.00000
      4       4.5149      2.00000
      5       5.7226      1.99050
      6       6.9991      0.00120
      7       8.8226      0.00000
      8       9.9917      0.00000
      9      10.3160      0.00000
     10      11.2912      0.00000
     11      11.8066      0.00000
     12      13.0891      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7581      2.00000
      3       4.4428      2.00000
      4       5.1583      1.99997
      5       6.6783      0.02920
      6       7.5834      0.00000
      7       8.0342      0.00000
      8       8.5408      0.00000
      9      10.1178      0.00000
     10      11.3382      0.00000
     11      12.1076      0.00000
     12      12.3921      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7586      2.00000
      2       0.8020      2.00000
      3       4.3681      2.00000
      4       4.6365      2.00000
      5       7.2144      0.00014
      6       7.6057      0.00000
      7       7.8499      0.00000
      8       8.4810      0.00000
      9      10.5657      0.00000
     10      11.3327      0.00000
     11      11.6484      0.00000
     12      12.4220      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6089      2.00000
      2       0.9302      2.00000
      3       3.4632      2.00000
      4       4.6639      2.00000
      5       6.7386      0.01608
      6       7.8600      0.00000
      7       8.0784      0.00000
      8       9.1173      0.00000
      9      10.5310      0.00000
     10      11.1505      0.00000
     11      11.6953      0.00000
     12      12.8223      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1218      2.00000
      3       2.5078      2.00000
      4       4.8509      2.00000
      5       5.9064      1.94178
      6       8.0910      0.00000
      7       8.3527      0.00000
      8       9.6026      0.00000
      9      10.3481      0.00000
     10      11.5398      0.00000
     11      11.7810      0.00000
     12      12.8234      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0252      2.00000
      2       1.1881      2.00000
      3       1.8359      2.00000
      4       4.8112      2.00000
      5       5.4341      1.99947
      6       8.3994      0.00000
      7       8.4307      0.00000
      8       8.9543      0.00000
      9      11.1884      0.00000
     10      11.8072      0.00000
     11      12.0680      0.00000
     12      12.1251      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6184      2.00000
      2       0.6301      2.00000
      3       1.9580      2.00000
      4       4.2140      2.00000
      5       5.7009      1.99234
      6       7.8217      0.00000
      7       8.8206      0.00000
      8       9.0841      0.00000
      9      10.8214      0.00000
     10      11.4636      0.00000
     11      12.1830      0.00000
     12      12.6121      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2337      2.00000
      2       0.0815      2.00000
      3       2.2403      2.00000
      4       3.7366      2.00000
      5       6.0540      1.76789
      6       7.2810      0.00007
      7       9.1589      0.00000
      8       9.3703      0.00000
      9      10.3107      0.00000
     10      11.0840      0.00000
     11      12.4046      0.00000
     12      12.8554      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0186      2.00000
      3       4.8472      2.00000
      4       5.5742      1.99784
      5       6.7485      0.01457
      6       7.4446      0.00001
      7       7.7271      0.00000
      8       7.8889      0.00000
      9       9.3427      0.00000
     10      11.6121      0.00000
     11      12.7666      0.00000
     12      13.0841      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3675      2.00000
      2       0.0255      2.00000
      3       4.8084      2.00000
      4       4.9874      1.99999
      5       6.8201      0.00715
      6       7.2151      0.00014
      7       7.8667      0.00000
      8       8.3029      0.00000
      9       9.7576      0.00000
     10      11.6872      0.00000
     11      12.0900      0.00000
     12      13.2287      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2152      2.00000
      2       0.1560      2.00000
      3       3.8553      2.00000
      4       5.0214      1.99999
      5       6.0483      1.77940
      6       7.2989      0.00006
      7       8.2577      0.00000
      8       9.2773      0.00000
      9      10.4527      0.00000
     10      10.9461      0.00000
     11      12.3333      0.00000
     12      13.1482      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       0.3654      2.00000
      3       2.8580      2.00000
      4       4.9218      2.00000
      5       5.4882      1.99908
      6       7.5271      0.00001
      7       8.5224      0.00000
      8       9.9327      0.00000
      9      10.3466      0.00000
     10      11.2579      0.00000
     11      12.3454      0.00000
     12      12.8018      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6186      2.00000
      2       0.6281      2.00000
      3       1.9605      2.00000
      4       4.2143      2.00000
      5       5.7007      1.99236
      6       7.8195      0.00000
      7       8.8212      0.00000
      8       9.0859      0.00000
      9      10.8206      0.00000
     10      11.4663      0.00000
     11      12.1815      0.00000
     12      12.6190      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.1971      2.00000
      2       0.7680      2.00000
      3       1.3396      2.00000
      4       3.5393      2.00000
      5       6.0839      1.69932
      6       8.0146      0.00000
      7       8.4361      0.00000
      8       9.2139      0.00000
      9      10.6950      0.00000
     10      10.9775      0.00000
     11      11.7559      0.00000
     12      13.9022      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7821      2.00000
      2       0.3763      2.00000
      3       1.3929      2.00000
      4       3.0891      2.00000
      5       6.4743      0.20451
      6       7.6018      0.00000
      7       8.5573      0.00000
      8       9.5802      0.00000
      9      10.1483      0.00000
     10      10.7909      0.00000
     11      11.6503      0.00000
     12      13.8538      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5654      2.00000
      3       5.2481      1.99992
      4       5.9984      1.86005
      5       6.3328      0.63845
      6       7.0973      0.00045
      7       7.6196      0.00000
      8       8.1168      0.00000
      9       8.6723      0.00000
     10      11.4398      0.00000
     11      13.1097      0.00000
     12      14.1423      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0135      2.00000
      2      -0.5225      2.00000
      3       5.2735      1.99989
      4       5.3144      1.99984
      5       6.1683      1.41661
      6       6.7922      0.00944
      7       8.3189      0.00000
      8       8.3855      0.00000
      9       9.0295      0.00000
     10      11.5643      0.00000
     11      12.3708      0.00000
     12      13.8884      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8561      2.00000
      2      -0.3954      2.00000
      3       4.2329      2.00000
      4       5.2826      1.99988
      5       5.5657      1.99801
      6       6.8010      0.00864
      7       8.5606      0.00000
      8       9.4205      0.00000
      9       9.9448      0.00000
     10      11.2876      0.00000
     11      11.9759      0.00000
     12      13.0413      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.5953      2.00000
      2      -0.1899      2.00000
      3       3.1974      2.00000
      4       4.5155      2.00000
      5       5.7221      1.99054
      6       6.9972      0.00122
      7       8.8212      0.00000
      8       9.9972      0.00000
      9      10.3158      0.00000
     10      11.2970      0.00000
     11      11.8072      0.00000
     12      13.0894      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2340      2.00000
      2       0.0795      2.00000
      3       2.2431      2.00000
      4       3.7369      2.00000
      5       6.0539      1.76821
      6       7.2788      0.00007
      7       9.1574      0.00000
      8       9.3749      0.00000
      9      10.3076      0.00000
     10      11.0879      0.00000
     11      12.4049      0.00000
     12      12.8629      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7822      2.00000
      2       0.3745      2.00000
      3       1.3949      2.00000
      4       3.0892      2.00000
      5       6.4744      0.20436
      6       7.5996      0.00000
      7       8.5598      0.00000
      8       9.5813      0.00000
      9      10.1430      0.00000
     10      10.7963      0.00000
     11      11.6495      0.00000
     12      13.8521      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.2975      2.00000
      2       0.5571      2.00000
      3       0.7575      2.00000
      4       2.6819      2.00000
      5       6.9189      0.00267
      6       7.8178      0.00000
      7       7.9636      0.00000
      8       9.7139      0.00000
      9      10.0872      0.00000
     10      10.8063      0.00000
     11      11.0584      0.00000
     12      13.7138      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7692      2.00000
      3       3.1255      2.00000
      4       4.9690      1.99999
      5       6.5679      0.08554
      6       7.9135      0.00000
      7       8.5949      0.00000
      8       9.6105      0.00000
      9      10.0254      0.00000
     10      10.9322      0.00000
     11      11.3341      0.00000
     12      12.6387      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8141      2.00000
      3       3.1479      2.00000
      4       4.3653      2.00000
      5       7.1874      0.00018
      6       8.0205      0.00000
      7       8.5012      0.00000
      8       9.1927      0.00000
      9       9.8993      0.00000
     10      10.6048      0.00000
     11      11.9370      0.00000
     12      13.1324      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7903      2.00000
      2       1.9387      2.00000
      3       3.0438      2.00000
      4       3.6111      2.00000
      5       7.6256      0.00000
      6       7.9993      0.00000
      7       8.6186      0.00000
      8       9.0846      0.00000
      9       9.3074      0.00000
     10      10.5950      0.00000
     11      12.7752      0.00000
     12      13.6454      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5455      2.00000
      2       1.9684      2.00000
      3       2.4551      2.00000
      4       3.6317      2.00000
      5       6.8640      0.00462
      6       7.9181      0.00000
      7       8.5389      0.00000
      8       9.0996      0.00000
      9      10.0723      0.00000
     10      10.9311      0.00000
     11      13.0617      0.00000
     12      13.0795      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2642      2.00000
      3       2.6050      2.00000
      4       3.8881      2.00000
      5       6.0120      1.84119
      6       7.3191      0.00005
      7       8.6475      0.00000
      8       9.4148      0.00000
      9      10.6290      0.00000
     10      11.8670      0.00000
     11      12.3462      0.00000
     12      12.6968      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8110      2.00000
      2       0.5044      2.00000
      3       2.9780      2.00000
      4       4.1971      2.00000
      5       5.2625      1.99990
      6       6.6656      0.03306
      7       8.9711      0.00000
      8       9.7737      0.00000
      9      10.8979      0.00000
     10      11.3872      0.00000
     11      12.0327      0.00000
     12      13.5828      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4380      2.00000
      2      -0.0552      2.00000
      3       3.3396      2.00000
      4       4.4057      2.00000
      5       4.7682      2.00000
      6       6.2229      1.16905
      7       9.2535      0.00000
      8      10.1326      0.00000
      9      10.8117      0.00000
     10      11.1098      0.00000
     11      11.5731      0.00000
     12      13.5006      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6592      2.00000
      2       0.8850      2.00000
      3       3.4284      2.00000
      4       5.3046      1.99985
      5       6.4558      0.24103
      6       7.4665      0.00001
      7       8.6844      0.00000
      8       8.8197      0.00000
      9      10.6498      0.00000
     10      11.2460      0.00000
     11      11.4923      0.00000
     12      12.5242      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9300      2.00000
      3       3.4592      2.00000
      4       4.6689      2.00000
      5       6.7361      0.01648
      6       7.8600      0.00000
      7       8.0856      0.00000
      8       9.1137      0.00000
      9      10.5317      0.00000
     10      11.1509      0.00000
     11      11.6956      0.00000
     12      12.8188      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4590      2.00000
      2       1.0618      2.00000
      3       3.3999      2.00000
      4       3.8514      2.00000
      5       6.7317      0.01721
      6       7.3090      0.00005
      7       8.9248      0.00000
      8       9.3971      0.00000
      9       9.6708      0.00000
     10      11.8287      0.00000
     11      12.0280      0.00000
     12      12.9237      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2120      2.00000
      2       1.2616      2.00000
      3       2.6080      2.00000
      4       3.8881      2.00000
      5       6.0117      1.84163
      6       7.3182      0.00005
      7       8.6497      0.00000
      8       9.4151      0.00000
      9      10.6344      0.00000
     10      11.8645      0.00000
     11      12.3475      0.00000
     12      12.6891      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       1.3444      2.00000
      3       1.9422      2.00000
      4       4.1189      2.00000
      5       5.2392      1.99992
      6       7.3390      0.00004
      7       8.0484      0.00000
      8       9.7309      0.00000
      9      11.2763      0.00000
     10      11.8873      0.00000
     11      12.5373      0.00000
     12      12.7945      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4658      2.00000
      2       0.7747      2.00000
      3       2.0891      2.00000
      4       4.1378      2.00000
      5       4.8455      2.00000
      6       6.8533      0.00513
      7       8.1216      0.00000
      8      10.0378      0.00000
      9      10.6852      0.00000
     10      11.9998      0.00000
     11      12.8464      0.00000
     12      13.3141      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0774      2.00000
      2       0.2199      2.00000
      3       2.3898      2.00000
      4       3.7751      2.00000
      5       5.0139      1.99999
      6       6.3866      0.42993
      7       8.3404      0.00000
      8      10.0568      0.00000
      9      10.5437      0.00000
     10      11.6768      0.00000
     11      13.0078      0.00000
     12      13.6643      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2663      2.00000
      2       0.1110      2.00000
      3       3.8126      2.00000
      4       5.7201      1.99073
      5       5.9115      1.93879
      6       7.5765      0.00000
      7       7.8743      0.00000
      8       8.9556      0.00000
      9      10.1163      0.00000
     10      11.6289      0.00000
     11      12.2044      0.00000
     12      12.8436      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2153      2.00000
      2       0.1558      2.00000
      3       3.8512      2.00000
      4       5.0260      1.99999
      5       6.0454      1.78505
      6       7.3034      0.00006
      7       8.2634      0.00000
      8       9.2732      0.00000
      9      10.4517      0.00000
     10      10.9459      0.00000
     11      12.3307      0.00000
     12      13.1471      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0630      2.00000
      2       0.2885      2.00000
      3       3.8507      2.00000
      4       4.1406      2.00000
      5       5.8988      1.94591
      6       6.6920      0.02549
      7       9.3597      0.00000
      8       9.6959      0.00000
      9       9.9411      0.00000
     10      11.2580      0.00000
     11      12.1503      0.00000
     12      12.9855      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8114      2.00000
      2       0.5021      2.00000
      3       2.9812      2.00000
      4       4.1971      2.00000
      5       5.2618      1.99990
      6       6.6653      0.03316
      7       8.9738      0.00000
      8       9.7736      0.00000
      9      10.9042      0.00000
     10      11.3846      0.00000
     11      12.0368      0.00000
     12      13.5805      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4660      2.00000
      2       0.7726      2.00000
      3       2.0916      2.00000
      4       4.1380      2.00000
      5       4.8449      2.00000
      6       6.8524      0.00518
      7       8.1234      0.00000
      8      10.0381      0.00000
      9      10.6841      0.00000
     10      12.0025      0.00000
     11      12.8515      0.00000
     12      13.3138      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0436      2.00000
      2       0.9248      2.00000
      3       1.4701      2.00000
      4       3.5894      2.00000
      5       5.0878      1.99998
      6       6.9434      0.00209
      7       7.5403      0.00001
      8       9.8478      0.00000
      9      10.6264      0.00000
     10      12.2759      0.00000
     11      12.9054      0.00000
     12      14.0776      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6262      2.00000
      2       0.5237      2.00000
      3       1.5440      2.00000
      4       3.1494      2.00000
      5       5.4296      1.99949
      6       6.6105      0.05672
      7       7.5315      0.00001
      8       9.4949      0.00000
      9      10.9396      0.00000
     10      11.9955      0.00000
     11      12.9253      0.00000
     12      14.5565      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9087      2.00000
      2      -0.4391      2.00000
      3       4.1815      2.00000
      4       5.4009      1.99962
      5       6.1437      1.51305
      6       7.2439      0.00010
      7       7.8025      0.00000
      8       8.9606      0.00000
      9       9.8237      0.00000
     10      11.9616      0.00000
     11      12.0018      0.00000
     12      13.3973      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8562      2.00000
      2      -0.3956      2.00000
      3       4.2287      2.00000
      4       5.2824      1.99988
      5       5.5674      1.99798
      6       6.8061      0.00822
      7       8.5677      0.00000
      8       9.4186      0.00000
      9       9.9388      0.00000
     10      11.2877      0.00000
     11      11.9730      0.00000
     12      13.0461      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.6990      2.00000
      2      -0.2665      2.00000
      3       4.3450      2.00000
      4       4.3876      2.00000
      5       5.1942      1.99995
      6       6.2925      0.82487
      7       9.8249      0.00000
      8       9.8926      0.00000
      9      10.2719      0.00000
     10      10.5577      0.00000
     11      11.5891      0.00000
     12      12.9212      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4385      2.00000
      2      -0.0574      2.00000
      3       3.3433      2.00000
      4       4.4072      2.00000
      5       4.7650      2.00000
      6       6.2233      1.16697
      7       9.2563      0.00000
      8      10.1336      0.00000
      9      10.8068      0.00000
     10      11.1164      0.00000
     11      11.5776      0.00000
     12      13.5045      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0776      2.00000
      2       0.2178      2.00000
      3       2.3927      2.00000
      4       3.7753      2.00000
      5       5.0127      1.99999
      6       6.3863      0.43103
      7       8.3425      0.00000
      8      10.0586      0.00000
      9      10.5397      0.00000
     10      11.6796      0.00000
     11      13.0154      0.00000
     12      13.6658      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6262      2.00000
      2       0.5217      2.00000
      3       1.5462      2.00000
      4       3.1495      2.00000
      5       5.4291      1.99949
      6       6.6099      0.05701
      7       7.5328      0.00001
      8       9.4951      0.00000
      9      10.9381      0.00000
     10      11.9971      0.00000
     11      12.9256      0.00000
     12      14.5631      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1417      2.00000
      2       0.7141      2.00000
      3       0.9100      2.00000
      4       2.7416      2.00000
      5       5.8752      1.95702
      6       6.7442      0.01521
      7       6.9306      0.00237
      8       9.1427      0.00000
      9      11.3837      0.00000
     10      12.1301      0.00000
     11      12.3504      0.00000
     12      14.6294      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4127      2.00000
      2       1.0735      2.00000
      3       2.4669      2.00000
      4       5.5471      1.99835
      5       5.7099      1.99163
      6       7.5427      0.00001
      7       8.9183      0.00000
      8      10.0113      0.00000
      9      10.2119      0.00000
     10      11.0935      0.00000
     11      11.4291      0.00000
     12      12.6280      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3624      2.00000
      2       1.1210      2.00000
      3       2.5049      2.00000
      4       4.8554      2.00000
      5       5.9042      1.94296
      6       8.0889      0.00000
      7       8.3650      0.00000
      8       9.6039      0.00000
      9      10.3436      0.00000
     10      11.5395      0.00000
     11      11.7815      0.00000
     12      12.8242      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2122      2.00000
      2       1.2611      2.00000
      3       2.6053      2.00000
      4       3.8917      2.00000
      5       6.0093      1.84512
      6       7.3212      0.00005
      7       8.6507      0.00000
      8       9.4213      0.00000
      9      10.6282      0.00000
     10      11.8637      0.00000
     11      12.3474      0.00000
     12      12.6945      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9643      2.00000
      2       1.4800      2.00000
      3       2.5862      2.00000
      4       3.1542      2.00000
      5       5.9539      1.90794
      6       6.5484      0.10299
      7       7.8202      0.00000
      8      10.6622      0.00000
      9      10.8579      0.00000
     10      11.3774      0.00000
     11      12.5396      0.00000
     12      13.5743      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6252      2.00000
      2       1.6038      2.00000
      3       2.0813      2.00000
      4       3.2279      2.00000
      5       5.3107      1.99984
      6       6.3079      0.75109
      7       7.2559      0.00009
      8      10.3469      0.00000
      9      11.2276      0.00000
     10      12.2143      0.00000
     11      13.0077      0.00000
     12      13.9538      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.0106      2.00000
      3       2.2943      2.00000
      4       3.5077      2.00000
      5       4.5849      2.00000
      6       5.9189      1.93428
      7       7.2065      0.00015
      8       9.7499      0.00000
      9      11.6140      0.00000
     10      12.7706      0.00000
     11      13.6189      0.00000
     12      14.2443      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8182      2.00000
      2       0.4458      2.00000
      3       2.6354      2.00000
      4       3.7116      2.00000
      5       4.0869      2.00000
      6       5.5495      1.99831
      7       7.3386      0.00004
      8       9.3710      0.00000
      9      11.9772      0.00000
     10      12.8724      0.00000
     11      13.3023      0.00000
     12      14.9002      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0150      2.00000
      2       0.3187      2.00000
      3       2.8112      2.00000
      4       5.0221      1.99999
      5       5.9622      1.90043
      6       7.8065      0.00000
      7       8.1147      0.00000
      8       9.7719      0.00000
      9      10.5954      0.00000
     10      11.1159      0.00000
     11      12.1669      0.00000
     12      12.9202      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       0.3649      2.00000
      3       2.8546      2.00000
      4       4.9211      2.00000
      5       5.4909      1.99906
      6       7.5315      0.00001
      7       8.5292      0.00000
      8       9.9341      0.00000
      9      10.3461      0.00000
     10      11.2520      0.00000
     11      12.3456      0.00000
     12      12.8066      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8116      2.00000
      2       0.5017      2.00000
      3       2.9781      2.00000
      4       4.2004      2.00000
      5       5.2600      1.99991
      6       6.6685      0.03214
      7       8.9744      0.00000
      8       9.7803      0.00000
      9      10.8988      0.00000
     10      11.3847      0.00000
     11      12.0383      0.00000
     12      13.5784      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5598      2.00000
      2       0.7232      2.00000
      3       3.0411      2.00000
      4       3.3947      2.00000
      5       5.1057      1.99998
      6       6.0292      1.81416
      7       8.0360      0.00000
      8      10.4489      0.00000
      9      11.0969      0.00000
     10      11.5126      0.00000
     11      12.9366      0.00000
     12      13.9331      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2138      2.00000
      2       1.0083      2.00000
      3       2.2969      2.00000
      4       3.5077      2.00000
      5       4.5839      2.00000
      6       5.9195      1.93389
      7       7.2074      0.00015
      8       9.7502      0.00000
      9      11.6137      0.00000
     10      12.7771      0.00000
     11      13.6228      0.00000
     12      14.2343      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7898      2.00000
      2       1.1852      2.00000
      3       1.6788      2.00000
      4       3.5569      2.00000
      5       4.2326      2.00000
      6       5.9071      1.94135
      7       6.6359      0.04427
      8       9.1724      0.00000
      9      12.0182      0.00000
     10      13.6296      0.00000
     11      14.2003      0.00000
     12      14.3562      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3676      2.00000
      2       0.7658      2.00000
      3       1.7936      2.00000
      4       3.2304      2.00000
      5       4.4140      2.00000
      6       5.6390      1.99587
      7       6.5261      0.12711
      8       8.8308      0.00000
      9      12.3986      0.00000
     10      13.3736      0.00000
     11      14.3268      0.00000
     12      14.8132      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6479      2.00000
      2      -0.2351      2.00000
      3       3.1445      2.00000
      4       4.5123      2.00000
      5       6.3848      0.43587
      6       7.4852      0.00001
      7       8.0630      0.00000
      8       9.4682      0.00000
      9      10.9556      0.00000
     10      11.2472      0.00000
     11      12.3496      0.00000
     12      12.4956      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.5955      2.00000
      2      -0.1904      2.00000
      3       3.1938      2.00000
      4       4.5129      2.00000
      5       5.7266      1.99011
      6       7.0027      0.00115
      7       8.8284      0.00000
      8       9.9980      0.00000
      9      10.3167      0.00000
     10      11.2884      0.00000
     11      11.8073      0.00000
     12      13.0946      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4386      2.00000
      2      -0.0577      2.00000
      3       3.3398      2.00000
      4       4.4073      2.00000
      5       4.7671      2.00000
      6       6.2264      1.15223
      7       9.2568      0.00000
      8      10.1410      0.00000
      9      10.8070      0.00000
     10      11.1159      0.00000
     11      11.5722      0.00000
     12      13.5034      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1785      2.00000
      2       0.1579      2.00000
      3       3.5491      2.00000
      4       3.6006      2.00000
      5       4.3908      2.00000
      6       5.6755      1.99406
      7       8.2596      0.00000
      8      10.0638      0.00000
      9      11.5923      0.00000
     10      11.6453      0.00000
     11      12.2890      0.00000
     12      14.0132      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4434      2.00000
      3       2.6385      2.00000
      4       3.7129      2.00000
      5       4.0833      2.00000
      6       5.5510      1.99828
      7       7.3398      0.00004
      8       9.3715      0.00000
      9      11.9761      0.00000
     10      12.8764      0.00000
     11      13.3081      0.00000
     12      14.9049      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3675      2.00000
      2       0.7635      2.00000
      3       1.7961      2.00000
      4       3.2304      2.00000
      5       4.4128      2.00000
      6       5.6400      1.99583
      7       6.5264      0.12675
      8       8.8310      0.00000
      9      12.3979      0.00000
     10      13.3742      0.00000
     11      14.3281      0.00000
     12      14.8209      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1170      2.00000
      2       0.9749      2.00000
      3       1.1620      2.00000
      4       2.8314      2.00000
      5       4.8512      2.00000
      6       5.7056      1.99197
      7       5.9176      1.93508
      8       8.5230      0.00000
      9      12.8450      0.00000
     10      13.5718      0.00000
     11      13.7783      0.00000
     12      15.8028      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6702      2.00000
      2       0.5784      2.00000
      3       1.9134      2.00000
      4       4.2049      2.00000
      5       6.2966      0.80460
      6       8.1203      0.00000
      7       8.4407      0.00000
      8       9.6677      0.00000
      9      10.1353      0.00000
     10      11.5200      0.00000
     11      11.9910      0.00000
     12      12.4958      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6191      2.00000
      2       0.6270      2.00000
      3       1.9579      2.00000
      4       4.2123      2.00000
      5       5.7054      1.99199
      6       7.8231      0.00000
      7       8.8280      0.00000
      8       9.0883      0.00000
      9      10.8220      0.00000
     10      11.4699      0.00000
     11      12.1859      0.00000
     12      12.6118      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4665      2.00000
      2       0.7716      2.00000
      3       2.0892      2.00000
      4       4.1378      2.00000
      5       4.8470      2.00000
      6       6.8557      0.00501
      7       8.1247      0.00000
      8      10.0440      0.00000
      9      10.6861      0.00000
     10      12.0057      0.00000
     11      12.8466      0.00000
     12      13.3169      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2141      2.00000
      2       1.0077      2.00000
      3       2.2948      2.00000
      4       3.5101      2.00000
      5       4.5829      2.00000
      6       5.9215      1.93259
      7       7.2081      0.00015
      8       9.7508      0.00000
      9      11.6213      0.00000
     10      12.7713      0.00000
     11      13.6260      0.00000
     12      14.2349      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8669      2.00000
      2       1.3194      2.00000
      3       2.4222      2.00000
      4       2.8169      2.00000
      5       4.4997      2.00000
      6       5.2025      1.99995
      7       6.4042      0.37338
      8       9.0730      0.00000
      9      12.9888      0.00000
     10      13.3112      0.00000
     11      14.6427      0.00000
     12      14.6730      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4398      2.00000
      2       1.5473      2.00000
      3       1.9390      2.00000
      4       2.9883      2.00000
      5       4.0277      2.00000
      6       4.9523      2.00000
      7       5.8215      1.97465
      8       8.5463      0.00000
      9      13.5350      0.00000
     10      14.5158      0.00000
     11      15.1145      0.00000
     12      15.2270      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0094      2.00000
      2       1.0947      2.00000
      3       2.1361      2.00000
      4       3.2167      2.00000
      5       3.5708      2.00000
      6       4.7723      2.00000
      7       5.6016      1.99716
      8       8.2497      0.00000
      9      13.9390      0.00000
     10      14.7579      0.00000
     11      15.1588      0.00000
     12      15.7463      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2867      2.00000
      2       0.0320      2.00000
      3       2.1898      2.00000
      4       3.7176      2.00000
      5       6.7190      0.01953
      6       7.8137      0.00000
      7       8.4161      0.00000
      8       9.7678      0.00000
      9      10.0298      0.00000
     10      11.4252      0.00000
     11      11.6750      0.00000
     12      12.7853      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2344      2.00000
      2       0.0786      2.00000
      3       2.2400      2.00000
      4       3.7351      2.00000
      5       6.0583      1.75904
      6       7.2841      0.00007
      7       9.1642      0.00000
      8       9.3767      0.00000
      9      10.3081      0.00000
     10      11.0926      0.00000
     11      12.4093      0.00000
     12      12.8541      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0780      2.00000
      2       0.2170      2.00000
      3       2.3897      2.00000
      4       3.7738      2.00000
      5       5.0164      1.99999
      6       6.3897      0.41942
      7       8.3435      0.00000
      8      10.0600      0.00000
      9      10.5470      0.00000
     10      11.6845      0.00000
     11      13.0060      0.00000
     12      13.6711      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8185      2.00000
      2       0.4430      2.00000
      3       2.6357      2.00000
      4       3.7133      2.00000
      5       4.0851      2.00000
      6       5.5528      1.99825
      7       7.3403      0.00004
      8       9.3721      0.00000
      9      11.9846      0.00000
     10      12.8787      0.00000
     11      13.3008      0.00000
     12      14.9040      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4591      2.00000
      2       0.7451      2.00000
      3       2.9350      2.00000
      4       3.0022      2.00000
      5       3.7820      2.00000
      6       4.9686      1.99999
      7       6.4166      0.33723
      8       8.7336      0.00000
      9      13.4607      0.00000
     10      13.5817      0.00000
     11      14.1468      0.00000
     12      15.4905      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0091      2.00000
      2       1.0919      2.00000
      3       2.1392      2.00000
      4       3.2178      2.00000
      5       3.5674      2.00000
      6       4.7751      2.00000
      7       5.6009      1.99718
      8       8.2499      0.00000
      9      13.9384      0.00000
     10      14.7597      0.00000
     11      15.1664      0.00000
     12      15.7487      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4758      2.00000
      2       1.3376      2.00000
      3       1.5082      2.00000
      4       2.9331      2.00000
      5       3.9096      2.00000
      6       4.7490      2.00000
      7       4.9852      1.99999
      8       7.9839      0.00000
      9      14.3839      0.00000
     10      15.0538      0.00000
     11      15.2625      0.00000
     12      16.3995      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8349      2.00000
      2       0.3235      2.00000
      3       1.3416      2.00000
      4       3.0667      2.00000
      5       7.1359      0.00030
      6       8.2055      0.00000
      7       8.8545      0.00000
      8       9.2179      0.00000
      9       9.9482      0.00000
     10      10.6258      0.00000
     11      10.9036      0.00000
     12      13.4408      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7828      2.00000
      2       0.3729      2.00000
      3       1.3922      2.00000
      4       3.0883      2.00000
      5       6.4787      0.19665
      6       7.6043      0.00000
      7       8.5617      0.00000
      8       9.5884      0.00000
      9      10.1441      0.00000
     10      10.8028      0.00000
     11      11.6541      0.00000
     12      13.8584      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6267      2.00000
      2       0.5203      2.00000
      3       1.5436      2.00000
      4       3.1487      2.00000
      5       5.4328      1.99947
      6       6.6131      0.05526
      7       7.5342      0.00001
      8       9.4971      0.00000
      9      10.9458      0.00000
     10      12.0033      0.00000
     11      12.9308      0.00000
     12      14.5551      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3679      2.00000
      2       0.7624      2.00000
      3       1.7937      2.00000
      4       3.2300      2.00000
      5       4.4158      2.00000
      6       5.6420      1.99575
      7       6.5273      0.12570
      8       8.8324      0.00000
      9      12.4064      0.00000
     10      13.3811      0.00000
     11      14.3334      0.00000
     12      14.8117      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0093      2.00000
      2       1.0912      2.00000
      3       2.1369      2.00000
      4       3.2186      2.00000
      5       3.5689      2.00000
      6       4.7760      2.00000
      7       5.6013      1.99717
      8       8.2506      0.00000
      9      13.9477      0.00000
     10      14.7653      0.00000
     11      15.1567      0.00000
     12      15.7557      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4403      2.00000
      2       1.4821      2.00000
      3       2.5197      2.00000
      4       2.5980      2.00000
      5       3.3740      2.00000
      6       4.1248      2.00000
      7       4.7854      2.00000
      8       7.8191      0.00000
      9      15.4032      0.00000
     10      15.6136      0.00000
     11      15.9935      0.00000
     12      16.8480      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9270      2.00000
      2       1.7962      2.00000
      3       1.9319      2.00000
      4       2.9384      2.00000
      5       3.1611      2.00000
      6       3.8910      2.00000
      7       4.1601      2.00000
      8       7.5869      0.00000
      9      15.9335      0.00000
     10      16.4665      0.00000
     11      16.7204      0.00000
     12      16.8088      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264   0.000   0.000   0.000
  5.264  22.370   0.000   0.000   0.000
  0.000   0.000  -0.285  -0.000   0.000
  0.000   0.000  -0.000  -0.285  -0.000
  0.000   0.000   0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.075  -0.022   0.000   0.000  -0.007
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
 -0.007   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1748: real time    0.1749
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3440: real time    0.3441
    STRESS:  cpu time    4.1665: real time    4.1723
    FORCOR:  cpu time    0.0450: real time    0.0450
    FORHAR:  cpu time    0.0138: real time    0.0138
    MIXING:  cpu time    0.0059: real time    0.0059
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.36805   -72.35846   -72.31612    -0.00000    -0.00000    -0.00000
  Hartree     1.13077     1.13381     1.13638    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42282   -27.42277   -27.42408    -0.00000    -0.00000    -0.00000
  Local      -3.97176    -3.99540    -4.04333    -0.00000    -0.00000    -0.00000
  n-local    58.91465    58.91363    58.92970     0.25612     0.02317     0.18925
  augment    -3.03523    -3.03520    -3.03609     0.00000     0.00000    -0.00000
  Kinetic    46.89697    46.88455    46.88420    -3.62002    -0.57654    -2.94430
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03130     0.00693     0.01743     0.00000     0.00000     0.00000
  in kB       0.76821     0.17004     0.42778     0.00000     0.00000     0.00000
  external pressure =        0.46 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.298E+00 0.318E-15 -.198E-15   0.282E+00 -.242E-15 0.215E-16   0.844E-01 0.571E-19 -.343E-19   -.917E-05 -.120E-03 0.324E-14
   0.101E+01 0.357E-13 0.645E-07   -.683E+00 0.238E-16 -.299E-15   -.525E+00 -.391E-19 -.104E-18   0.239E-03 0.920E-03 0.123E-12
   0.400E+00 -.797E-15 -.109E-12   -.444E+00 -.115E-14 -.217E-15   0.607E-01 0.368E-18 -.314E-20   -.208E-04 -.101E-02 -.243E-13
   -.104E+01 -.337E-14 -.432E-14   0.845E+00 0.130E-14 0.319E-15   0.313E+00 0.285E-18 -.147E-19   -.102E-03 0.920E-03 -.277E-13
 -----------------------------------------------------------------------------------------------
   0.675E-01 0.319E-13 0.645E-07   -.111E-15 -.675E-16 -.175E-15   -.677E-01 0.671E-18 -.156E-18   0.108E-03 0.714E-03 0.740E-13
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.068364      0.000000      0.000000
      2.06274      2.01342      0.00000        -0.198267     -0.000000     -0.000000
      2.01274      0.00000      2.01342         0.017041      0.000000      0.000000
      0.00000      2.01342      2.01342         0.112862     -0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000044      0.000714      0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54874326 eV

  energy  without entropy=      -13.50869458  energy(sigma->0) =      -13.52871892
 
 d Force =-0.1377672E-02[-0.991E-02, 0.716E-02]  d Energy =-0.1375842E-02-0.183E-05
 d Force =-0.6686344E-02[-0.342E-01, 0.208E-01]  d Ewald  =-0.6686998E-02 0.654E-06


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0559: real time    0.0559


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   9/ 13
  Displacement:        1/  2
  Total:              17/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.461538  0.000000 -0.153846      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.153846  0.000000 -0.307692      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.230769  0.000000 -0.307692      4.000000
  0.307692  0.307692  0.000000      4.000000
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  0.384615  0.307692  0.000000      4.000000
  0.384615  0.000000 -0.307692      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.384615  0.000000 -0.384615      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.153846  0.000000 -0.461538      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.230769  0.000000 -0.461538      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.307692  0.000000 -0.461538      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.384615  0.000000 -0.461538      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.000000  0.076923 -0.153846      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.076923  0.076923 -0.153846      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.153846  0.076923 -0.153846      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.230769  0.076923 -0.153846      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.307692  0.076923 -0.153846      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.384615  0.076923 -0.153846      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.461538  0.076923 -0.153846      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.000000  0.076923 -0.230769      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.076923  0.076923 -0.230769      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.153846  0.076923 -0.230769      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.230769  0.076923 -0.230769      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.307692  0.076923 -0.230769      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.384615  0.076923 -0.230769      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.461538  0.076923 -0.230769      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.000000  0.076923 -0.307692      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.076923  0.076923 -0.307692      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.153846  0.076923 -0.307692      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.230769  0.076923 -0.307692      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.307692  0.076923 -0.307692      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.384615  0.076923 -0.307692      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.461538  0.076923 -0.307692      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.000000  0.076923 -0.384615      4.000000
  0.076923  0.384615  0.076923      8.000000
  0.076923  0.076923 -0.384615      8.000000
  0.153846  0.384615  0.076923      8.000000
  0.153846  0.076923 -0.384615      8.000000
  0.230769  0.384615  0.076923      8.000000
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  0.307692  0.384615  0.076923      8.000000
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  0.384615  0.384615  0.076923      8.000000
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  0.230769  0.461538  0.076923      8.000000
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  0.307692  0.461538  0.076923      8.000000
  0.307692  0.076923 -0.461538      8.000000
  0.384615  0.461538  0.076923      8.000000
  0.384615  0.076923 -0.461538      8.000000
  0.461538  0.461538  0.076923      8.000000
  0.461538  0.076923 -0.461538      8.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      4.000000
  0.000000  0.153846 -0.230769      4.000000
  0.076923  0.230769  0.153846      8.000000
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  0.230769  0.230769  0.153846      8.000000
  0.230769  0.153846 -0.230769      8.000000
  0.307692  0.230769  0.153846      8.000000
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  0.384615  0.230769  0.153846      8.000000
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  0.461538  0.230769  0.153846      8.000000
  0.461538  0.153846 -0.230769      8.000000
  0.000000  0.307692  0.153846      4.000000
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  0.307692  0.307692  0.153846      8.000000
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  0.384615  0.307692  0.153846      8.000000
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  0.000000  0.384615  0.153846      4.000000
  0.000000  0.153846 -0.384615      4.000000
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  0.384615  0.384615  0.153846      8.000000
  0.384615  0.153846 -0.384615      8.000000
  0.461538  0.384615  0.153846      8.000000
  0.461538  0.153846 -0.384615      8.000000
  0.000000  0.461538  0.153846      4.000000
  0.000000  0.153846 -0.461538      4.000000
  0.076923  0.461538  0.153846      8.000000
  0.076923  0.153846 -0.461538      8.000000
  0.153846  0.461538  0.153846      8.000000
  0.153846  0.153846 -0.461538      8.000000
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  0.307692  0.461538  0.153846      8.000000
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  0.384615  0.461538  0.153846      8.000000
  0.384615  0.153846 -0.461538      8.000000
  0.461538  0.461538  0.153846      8.000000
  0.461538  0.153846 -0.461538      8.000000
  0.000000  0.230769  0.230769      4.000000
  0.076923  0.230769  0.230769      8.000000
  0.153846  0.230769  0.230769      8.000000
  0.230769  0.230769  0.230769      8.000000
  0.307692  0.230769  0.230769      8.000000
  0.384615  0.230769  0.230769      8.000000
  0.461538  0.230769  0.230769      8.000000
  0.000000  0.307692  0.230769      4.000000
  0.000000  0.230769 -0.307692      4.000000
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  0.230769  0.307692  0.230769      8.000000
  0.230769  0.230769 -0.307692      8.000000
  0.307692  0.307692  0.230769      8.000000
  0.307692  0.230769 -0.307692      8.000000
  0.384615  0.307692  0.230769      8.000000
  0.384615  0.230769 -0.307692      8.000000
  0.461538  0.307692  0.230769      8.000000
  0.461538  0.230769 -0.307692      8.000000
  0.000000  0.384615  0.230769      4.000000
  0.000000  0.230769 -0.384615      4.000000
  0.076923  0.384615  0.230769      8.000000
  0.076923  0.230769 -0.384615      8.000000
  0.153846  0.384615  0.230769      8.000000
  0.153846  0.230769 -0.384615      8.000000
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  0.230769  0.230769 -0.384615      8.000000
  0.307692  0.384615  0.230769      8.000000
  0.307692  0.230769 -0.384615      8.000000
  0.384615  0.384615  0.230769      8.000000
  0.384615  0.230769 -0.384615      8.000000
  0.461538  0.384615  0.230769      8.000000
  0.461538  0.230769 -0.384615      8.000000
  0.000000  0.461538  0.230769      4.000000
  0.000000  0.230769 -0.461538      4.000000
  0.076923  0.461538  0.230769      8.000000
  0.076923  0.230769 -0.461538      8.000000
  0.153846  0.461538  0.230769      8.000000
  0.153846  0.230769 -0.461538      8.000000
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  0.230769  0.230769 -0.461538      8.000000
  0.307692  0.461538  0.230769      8.000000
  0.307692  0.230769 -0.461538      8.000000
  0.384615  0.461538  0.230769      8.000000
  0.384615  0.230769 -0.461538      8.000000
  0.461538  0.461538  0.230769      8.000000
  0.461538  0.230769 -0.461538      8.000000
  0.000000  0.307692  0.307692      4.000000
  0.076923  0.307692  0.307692      8.000000
  0.153846  0.307692  0.307692      8.000000
  0.230769  0.307692  0.307692      8.000000
  0.307692  0.307692  0.307692      8.000000
  0.384615  0.307692  0.307692      8.000000
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  0.000000  0.384615  0.307692      4.000000
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  0.384615  0.307692 -0.384615      8.000000
  0.461538  0.384615  0.307692      8.000000
  0.461538  0.307692 -0.384615      8.000000
  0.000000  0.461538  0.307692      4.000000
  0.000000  0.307692 -0.461538      4.000000
  0.076923  0.461538  0.307692      8.000000
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  0.230769  0.307692 -0.461538      8.000000
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  0.461538  0.461538  0.307692      8.000000
  0.461538  0.307692 -0.461538      8.000000
  0.000000  0.384615  0.384615      4.000000
  0.076923  0.384615  0.384615      8.000000
  0.153846  0.384615  0.384615      8.000000
  0.230769  0.384615  0.384615      8.000000
  0.307692  0.384615  0.384615      8.000000
  0.384615  0.384615  0.384615      8.000000
  0.461538  0.384615  0.384615      8.000000
  0.000000  0.461538  0.384615      4.000000
  0.000000  0.384615 -0.461538      4.000000
  0.076923  0.461538  0.384615      8.000000
  0.076923  0.384615 -0.461538      8.000000
  0.153846  0.461538  0.384615      8.000000
  0.153846  0.384615 -0.461538      8.000000
  0.230769  0.461538  0.384615      8.000000
  0.230769  0.384615 -0.461538      8.000000
  0.307692  0.461538  0.384615      8.000000
  0.307692  0.384615 -0.461538      8.000000
  0.384615  0.461538  0.384615      8.000000
  0.384615  0.384615 -0.461538      8.000000
  0.461538  0.461538  0.384615      8.000000
  0.461538  0.384615 -0.461538      8.000000
  0.000000  0.461538  0.461538      4.000000
  0.076923  0.461538  0.461538      8.000000
  0.153846  0.461538  0.461538      8.000000
  0.230769  0.461538  0.461538      8.000000
  0.307692  0.461538  0.461538      8.000000
  0.384615  0.461538  0.461538      8.000000
  0.461538  0.461538  0.461538      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.019109  0.000000  0.000000      2.000000
  0.038218  0.000000  0.000000      2.000000
  0.057327  0.000000  0.000000      2.000000
  0.076436  0.000000  0.000000      2.000000
  0.095545  0.000000  0.000000      2.000000
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    WAVPRE:  cpu time    0.3949: real time    0.4276
    FEWALD:  cpu time    0.0024: real time    0.0024
    GENKIN:  cpu time    0.0692: real time    0.0692
    ORTHCH:  cpu time    2.2038: real time    2.2039
     LOOP+:  cpu time  151.2307: real time  151.3313


--------------------------------------- Iteration     19(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0510: real time    0.0517
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   21.7331: real time   21.7397
       DOS:  cpu time    0.0123: real time    0.0123
    CHARGE:  cpu time    0.1710: real time    0.1710
    MIXING:  cpu time    0.0023: real time    0.0023
    --------------------------------------------
      LOOP:  cpu time   21.9731: real time   21.9805

 eigenvalue-minimisations  :  8508
 total energy-change (2. order) :-0.4743936E-03  (-0.9222407E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060735 magnetization 

 Broyden mixing:
  rms(total) = 0.24440E-01    rms(broyden)= 0.24439E-01
  rms(prec ) = 0.75308E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.39234213
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80192330
  PAW double counting   =       428.81355163     -327.46654656
  entropy T*S    EENTRO =        -0.04002751
  eigenvalues    EBANDS =        22.57837587
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54921724 eV

  energy without entropy =      -13.50918973  energy(sigma->0) =      -13.52920349


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0469: real time    0.0472
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   24.1344: real time   24.1468
       DOS:  cpu time    0.0142: real time    0.0142
    CHARGE:  cpu time    0.1721: real time    0.1721
    MIXING:  cpu time    0.0034: real time    0.0033
    --------------------------------------------
      LOOP:  cpu time   24.3747: real time   24.3874

 eigenvalue-minimisations  : 10184
 total energy-change (2. order) : 0.6625898E-04  (-0.2811846E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060544 magnetization 

 Broyden mixing:
  rms(total) = 0.12686E-01    rms(broyden)= 0.12686E-01
  rms(prec ) = 0.34706E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8910
  0.8910

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.39579966
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80186580
  PAW double counting   =       429.43292150     -328.08588773
  entropy T*S    EENTRO =        -0.04003874
  eigenvalues    EBANDS =        22.58182469
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54915098 eV

  energy without entropy =      -13.50911225  energy(sigma->0) =      -13.52913162


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0516: real time    0.0519
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   23.9220: real time   23.9322
       DOS:  cpu time    0.0144: real time    0.0143
    CHARGE:  cpu time    0.1750: real time    0.1750
    MIXING:  cpu time    0.0047: real time    0.0047
    --------------------------------------------
      LOOP:  cpu time   24.1712: real time   24.1817

 eigenvalue-minimisations  :  9708
 total energy-change (2. order) : 0.4457332E-03  (-0.2631648E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060418 magnetization 

 Broyden mixing:
  rms(total) = 0.52734E-02    rms(broyden)= 0.52734E-02
  rms(prec ) = 0.85133E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5446
  1.1412  1.9481

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.40030202
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80166666
  PAW double counting   =       428.60274178     -327.25578093
  entropy T*S    EENTRO =        -0.04004800
  eigenvalues    EBANDS =        22.58665581
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54870525 eV

  energy without entropy =      -13.50865725  energy(sigma->0) =      -13.52868125


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0500: real time    0.0504
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   24.4152: real time   24.4241
       DOS:  cpu time    0.0152: real time    0.0152
    CHARGE:  cpu time    0.1729: real time    0.1729
    MIXING:  cpu time    0.0041: real time    0.0041
    --------------------------------------------
      LOOP:  cpu time   24.6614: real time   24.6706

 eigenvalue-minimisations  : 10120
 total energy-change (2. order) :-0.3121398E-04  (-0.1920201E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060277 magnetization 

 Broyden mixing:
  rms(total) = 0.26267E-02    rms(broyden)= 0.26267E-02
  rms(prec ) = 0.44576E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6909
  1.0320  1.5469  2.4937

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.40065987
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167563
  PAW double counting   =       428.47690207     -327.12992269
  entropy T*S    EENTRO =        -0.04004845
  eigenvalues    EBANDS =        22.58697334
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54873647 eV

  energy without entropy =      -13.50868802  energy(sigma->0) =      -13.52871224


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0507: real time    0.0509
    SETDIJ:  cpu time    0.0041: real time    0.0041
     EDDAV:  cpu time   24.2397: real time   24.2520
       DOS:  cpu time    0.0183: real time    0.0183
    --------------------------------------------
      LOOP:  cpu time   24.3128: real time   24.3253

 eigenvalue-minimisations  :  9888
 total energy-change (2. order) :-0.6867609E-05  (-0.8106476E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060277 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254265
  -Hartree energ DENC   =        -3.40100241
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167468
  PAW double counting   =       428.67003047     -327.32303243
  entropy T*S    EENTRO =        -0.04004878
  eigenvalues    EBANDS =        22.58728972
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54874333 eV

  energy without entropy =      -13.50869455  energy(sigma->0) =      -13.52871894


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2475       2 -74.2394       3 -74.2405       4 -74.2382
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5664     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6247      2.00000
      2       4.3271      2.00000
      3       4.3277      2.00000
      4       4.3323      2.00000
      5       5.5500      1.99830
      6       5.5525      1.99826
      7       7.5999      0.00000
      8      12.4871      0.00000
      9      12.5068      0.00000
     10      12.5187      0.00000
     11      12.8089      0.00000
     12      12.8145      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6446      2.00000
      3       4.3761      2.00000
      4       4.3768      2.00000
      5       5.6009      1.99718
      6       6.1586      1.45609
      7       7.8000      0.00000
      8      11.5730      0.00000
      9      11.5759      0.00000
     10      12.1753      0.00000
     11      12.8572      0.00000
     12      12.9865      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4282      2.00000
      2       2.6157      2.00000
      3       4.5228      2.00000
      4       4.5235      2.00000
      5       5.7593      1.98632
      6       6.7615      0.01281
      7       8.5715      0.00000
      8      10.4576      0.00000
      9      10.4585      0.00000
     10      11.4116      0.00000
     11      12.8138      0.00000
     12      13.0008      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1864      2.00000
      2       1.6220      2.00000
      3       4.7659      2.00000
      4       4.7668      2.00000
      5       6.0221      1.82576
      6       7.0452      0.00076
      7       9.4217      0.00000
      8       9.4220      0.00000
      9       9.8341      0.00000
     10      10.5391      0.00000
     11      12.3306      0.00000
     12      13.2340      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8583      2.00000
      2       0.7176      2.00000
      3       5.1019      1.99998
      4       5.1029      1.99998
      5       6.3877      0.42625
      6       7.2197      0.00013
      7       8.4871      0.00000
      8       8.4872      0.00000
      9       9.6500      0.00000
     10      11.2388      0.00000
     11      12.0150      0.00000
     12      13.5428      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4687      2.00000
      2      -0.0599      2.00000
      3       5.5177      1.99877
      4       5.5191      1.99875
      5       6.8526      0.00517
      6       7.3456      0.00004
      7       7.6704      0.00000
      8       7.6710      0.00000
      9       8.8353      0.00000
     10      11.4254      0.00000
     11      13.1416      0.00000
     12      13.8891      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1176      2.00000
      2      -0.6058      2.00000
      3       5.9414      1.91836
      4       5.9438      1.91643
      5       7.0453      0.00075
      6       7.0470      0.00074
      7       7.4029      0.00002
      8       7.4177      0.00002
      9       8.1044      0.00000
     10      11.2721      0.00000
     11      14.1642      0.00000
     12      14.5185      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6391      2.00000
      3       4.3761      2.00000
      4       4.3833      2.00000
      5       5.6054      1.99705
      6       6.1538      1.47498
      7       7.7992      0.00000
      8      11.5681      0.00000
      9      11.5774      0.00000
     10      12.1699      0.00000
     11      12.8591      0.00000
     12      12.9953      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5627      2.00000
      3       3.8413      2.00000
      4       4.4251      2.00000
      5       5.9330      1.92467
      6       6.5063      0.15279
      7       7.9521      0.00000
      8      10.8403      0.00000
      9      11.4661      0.00000
     10      11.8648      0.00000
     11      12.3604      0.00000
     12      12.8502      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6480      2.00000
      3       3.8805      2.00000
      4       4.5718      2.00000
      5       6.1437      1.51299
      6       7.1337      0.00031
      7       8.6198      0.00000
      8       9.8320      0.00000
      9      10.4979      0.00000
     10      11.7978      0.00000
     11      11.8397      0.00000
     12      12.8759      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6632      2.00000
      3       4.1147      2.00000
      4       4.8149      2.00000
      5       6.3879      0.42558
      6       7.4361      0.00002
      7       8.8232      0.00000
      8       9.4687      0.00000
      9       9.9020      0.00000
     10      10.9790      0.00000
     11      12.0635      0.00000
     12      12.5060      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7612      2.00000
      3       4.4438      2.00000
      4       5.1507      1.99997
      5       6.6772      0.02952
      6       7.5841      0.00000
      7       8.0355      0.00000
      8       8.5354      0.00000
      9      10.1149      0.00000
     10      11.3522      0.00000
     11      12.1168      0.00000
     12      12.3809      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4178      2.00000
      2      -0.0161      2.00000
      3       4.8483      2.00000
      4       5.5665      1.99800
      5       6.7514      0.01417
      6       7.4458      0.00001
      7       7.7198      0.00000
      8       7.8868      0.00000
      9       9.3431      0.00000
     10      11.6166      0.00000
     11      12.7612      0.00000
     12      13.0943      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0651      2.00000
      2      -0.5632      2.00000
      3       5.2489      1.99992
      4       5.9899      1.87070
      5       6.3371      0.62001
      6       7.0962      0.00045
      7       7.6136      0.00000
      8       8.1122      0.00000
      9       8.6760      0.00000
     10      11.4436      0.00000
     11      13.1060      0.00000
     12      14.1344      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6112      2.00000
      3       4.5228      2.00000
      4       4.5300      2.00000
      5       5.7637      1.98570
      6       6.7583      0.01322
      7       8.5684      0.00000
      8      10.4528      0.00000
      9      10.4607      0.00000
     10      11.4066      0.00000
     11      12.8108      0.00000
     12      13.0049      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6437      2.00000
      3       3.8857      2.00000
      4       4.5717      2.00000
      5       6.1461      1.50413
      6       7.1332      0.00031
      7       8.6174      0.00000
      8       9.8323      0.00000
      9      10.4932      0.00000
     10      11.7927      0.00000
     11      11.8448      0.00000
     12      12.8842      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5808      2.00000
      3       3.0733      2.00000
      4       4.7184      2.00000
      5       6.4082      0.36138
      6       8.0476      0.00000
      7       8.6500      0.00000
      8       9.1626      0.00000
      9      10.4885      0.00000
     10      10.8512      0.00000
     11      11.8456      0.00000
     12      12.6346      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7726      2.00000
      3       3.1265      2.00000
      4       4.9614      2.00000
      5       6.5668      0.08646
      6       7.9160      0.00000
      7       8.5939      0.00000
      8       9.6049      0.00000
      9      10.0311      0.00000
     10      10.9293      0.00000
     11      11.3368      0.00000
     12      12.6360      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6587      2.00000
      2       0.8880      2.00000
      3       3.4293      2.00000
      4       5.2970      1.99986
      5       6.4575      0.23758
      6       7.4662      0.00001
      7       8.6791      0.00000
      8       8.8179      0.00000
      9      10.6470      0.00000
     10      11.2421      0.00000
     11      11.5058      0.00000
     12      12.5249      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2656      2.00000
      2       0.1136      2.00000
      3       3.8137      2.00000
      4       5.7124      1.99141
      5       5.9142      1.93718
      6       7.5781      0.00000
      7       7.8654      0.00000
      8       8.9528      0.00000
      9      10.1180      0.00000
     10      11.6267      0.00000
     11      12.2061      0.00000
     12      12.8470      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9079      2.00000
      2      -0.4368      2.00000
      3       4.1827      2.00000
      4       5.4036      1.99961
      5       6.1351      1.54401
      6       7.2429      0.00010
      7       7.7966      0.00000
      8       8.9566      0.00000
      9       9.8273      0.00000
     10      11.9813      0.00000
     11      11.9844      0.00000
     12      13.3910      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6183      2.00000
      3       4.7659      2.00000
      4       4.7732      2.00000
      5       6.0264      1.81882
      6       7.0428      0.00077
      7       9.4173      0.00000
      8       9.4237      0.00000
      9       9.8382      0.00000
     10      10.5269      0.00000
     11      12.3285      0.00000
     12      13.2350      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6596      2.00000
      3       4.1200      2.00000
      4       4.8148      2.00000
      5       6.3903      0.41770
      6       7.4364      0.00002
      7       8.8262      0.00000
      8       9.4643      0.00000
      9       9.8988      0.00000
     10      10.9717      0.00000
     11      12.0687      0.00000
     12      12.5067      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7694      2.00000
      3       3.1305      2.00000
      4       4.9613      2.00000
      5       6.5670      0.08626
      6       7.9162      0.00000
      7       8.5986      0.00000
      8       9.6007      0.00000
      9      10.0269      0.00000
     10      10.9339      0.00000
     11      11.3314      0.00000
     12      12.6420      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7447      2.00000
      2       1.7599      2.00000
      3       2.3779      2.00000
      4       5.2041      1.99995
      5       6.3584      0.53270
      6       7.4618      0.00001
      7       9.7033      0.00000
      8       9.7346      0.00000
      9      10.0274      0.00000
     10      10.3561      0.00000
     11      11.2956      0.00000
     12      12.4490      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4123      2.00000
      2       1.0764      2.00000
      3       2.4682      2.00000
      4       5.5394      1.99847
      5       5.7124      1.99142
      6       7.5414      0.00001
      7       8.9119      0.00000
      8      10.0069      0.00000
      9      10.2086      0.00000
     10      11.0916      0.00000
     11      11.4381      0.00000
     12      12.6307      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3214      2.00000
      3       2.8126      2.00000
      4       5.0243      1.99999
      5       5.9543      1.90761
      6       7.8089      0.00000
      7       8.1049      0.00000
      8       9.7682      0.00000
      9      10.5915      0.00000
     10      11.1184      0.00000
     11      12.1637      0.00000
     12      12.9239      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6472      2.00000
      2      -0.2325      2.00000
      3       3.1462      2.00000
      4       4.5141      2.00000
      5       6.3760      0.46663
      6       7.4847      0.00001
      7       8.0570      0.00000
      8       9.4652      0.00000
      9      10.9522      0.00000
     10      11.2493      0.00000
     11      12.3619      0.00000
     12      12.4765      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7147      2.00000
      3       5.1018      1.99998
      4       5.1091      1.99998
      5       6.3917      0.41277
      6       7.2171      0.00014
      7       8.4830      0.00000
      8       8.4905      0.00000
      9       9.6545      0.00000
     10      11.2255      0.00000
     11      12.0127      0.00000
     12      13.5435      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       0.7583      2.00000
      3       4.4490      2.00000
      4       5.1507      1.99997
      5       6.6786      0.02910
      6       7.5846      0.00000
      7       8.0391      0.00000
      8       8.5313      0.00000
      9      10.1190      0.00000
     10      11.3379      0.00000
     11      12.1170      0.00000
     12      12.3861      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6592      2.00000
      2       0.8853      2.00000
      3       3.4334      2.00000
      4       5.2970      1.99986
      5       6.4578      0.23684
      6       7.4669      0.00001
      7       8.6750      0.00000
      8       8.8225      0.00000
      9      10.6495      0.00000
     10      11.2468      0.00000
     11      11.4935      0.00000
     12      12.5285      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4126      2.00000
      2       1.0740      2.00000
      3       2.4712      2.00000
      4       5.5394      1.99847
      5       5.7128      1.99138
      6       7.5413      0.00001
      7       8.9080      0.00000
      8      10.0108      0.00000
      9      10.2128      0.00000
     10      11.0901      0.00000
     11      11.4371      0.00000
     12      12.6291      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0759      2.00000
      2       1.1345      2.00000
      3       1.8009      2.00000
      4       4.9127      2.00000
      5       5.8743      1.95741
      6       7.7987      0.00000
      7       9.1138      0.00000
      8       9.4000      0.00000
      9      10.4684      0.00000
     10      11.3152      0.00000
     11      11.9623      0.00000
     12      12.7768      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6698      2.00000
      2       0.5810      2.00000
      3       1.9154      2.00000
      4       4.2066      2.00000
      5       6.2886      0.84385
      6       8.1243      0.00000
      7       8.4288      0.00000
      8       9.6651      0.00000
      9      10.1307      0.00000
     10      11.5149      0.00000
     11      11.9898      0.00000
     12      12.4936      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2864      2.00000
      2       0.0348      2.00000
      3       2.1922      2.00000
      4       3.7186      2.00000
      5       6.7097      0.02141
      6       7.8140      0.00000
      7       8.4097      0.00000
      8       9.7654      0.00000
      9      10.0262      0.00000
     10      11.4208      0.00000
     11      11.6680      0.00000
     12      12.7834      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4697      2.00000
      2      -0.0621      2.00000
      3       5.5179      1.99877
      4       5.5255      1.99867
      5       6.8561      0.00500
      6       7.3414      0.00004
      7       7.6669      0.00000
      8       7.6763      0.00000
      9       8.8374      0.00000
     10      11.4230      0.00000
     11      13.1303      0.00000
     12      13.8907      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0183      2.00000
      3       4.8534      2.00000
      4       5.5667      1.99799
      5       6.7517      0.01412
      6       7.4481      0.00001
      7       7.7156      0.00000
      8       7.8898      0.00000
      9       9.3450      0.00000
     10      11.6152      0.00000
     11      12.7664      0.00000
     12      13.0854      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2665      2.00000
      2       0.1115      2.00000
      3       3.8177      2.00000
      4       5.7127      1.99139
      5       5.9153      1.93650
      6       7.5778      0.00000
      7       7.8613      0.00000
      8       8.9575      0.00000
      9      10.1184      0.00000
     10      11.6315      0.00000
     11      12.2085      0.00000
     12      12.8457      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0151      2.00000
      2       0.3195      2.00000
      3       2.8156      2.00000
      4       5.0252      1.99999
      5       5.9546      1.90737
      6       7.8082      0.00000
      7       8.1008      0.00000
      8       9.7710      0.00000
      9      10.5958      0.00000
     10      11.1151      0.00000
     11      12.1764      0.00000
     12      12.9245      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6702      2.00000
      2       0.5794      2.00000
      3       1.9174      2.00000
      4       4.2071      2.00000
      5       6.2888      0.84263
      6       8.1238      0.00000
      7       8.4249      0.00000
      8       9.6691      0.00000
      9      10.1319      0.00000
     10      11.5078      0.00000
     11      11.9899      0.00000
     12      12.5121      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2490      2.00000
      2       0.7143      2.00000
      3       1.2985      2.00000
      4       3.5181      2.00000
      5       6.7028      0.02293
      6       8.5001      0.00000
      7       8.7208      0.00000
      8       8.9564      0.00000
      9      10.1836      0.00000
     10      11.0374      0.00000
     11      11.1887      0.00000
     12      13.5187      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8353      2.00000
      2       0.3266      2.00000
      3       1.3451      2.00000
      4       3.0670      2.00000
      5       7.1255      0.00034
      6       8.2072      0.00000
      7       8.8476      0.00000
      8       9.2160      0.00000
      9       9.9459      0.00000
     10      10.6175      0.00000
     11      10.8977      0.00000
     12      13.4374      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1191      2.00000
      2      -0.6075      2.00000
      3       5.9427      1.91732
      4       5.9509      1.91058
      5       7.0418      0.00078
      6       7.0424      0.00078
      7       7.4126      0.00002
      8       7.4171      0.00002
      9       8.1043      0.00000
     10      11.2709      0.00000
     11      14.1661      0.00000
     12      14.5306      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0665      2.00000
      2      -0.5648      2.00000
      3       5.2543      1.99991
      4       5.9912      1.86908
      5       6.3382      0.61538
      6       7.0910      0.00048
      7       7.6122      0.00000
      8       8.1197      0.00000
      9       8.6759      0.00000
     10      11.4433      0.00000
     11      13.1113      0.00000
     12      14.1451      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9092      2.00000
      2      -0.4383      2.00000
      3       4.1866      2.00000
      4       5.4050      1.99960
      5       6.1365      1.53921
      6       7.2378      0.00011
      7       7.7949      0.00000
      8       8.9620      0.00000
      9       9.8278      0.00000
     10      11.9865      0.00000
     11      11.9869      0.00000
     12      13.4138      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6483      2.00000
      2      -0.2339      2.00000
      3       3.1491      2.00000
      4       4.5152      2.00000
      5       6.3774      0.46172
      6       7.4796      0.00001
      7       8.0554      0.00000
      8       9.4681      0.00000
      9      10.9570      0.00000
     10      11.2446      0.00000
     11      12.3622      0.00000
     12      12.4964      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2872      2.00000
      2       0.0337      2.00000
      3       2.1942      2.00000
      4       3.7194      2.00000
      5       6.7110      0.02113
      6       7.8090      0.00000
      7       8.4084      0.00000
      8       9.7673      0.00000
      9      10.0308      0.00000
     10      11.4205      0.00000
     11      11.6582      0.00000
     12      12.8085      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8357      2.00000
      2       0.3258      2.00000
      3       1.3463      2.00000
      4       3.0673      2.00000
      5       7.1266      0.00033
      6       8.2021      0.00000
      7       8.8467      0.00000
      8       9.2206      0.00000
      9       9.9476      0.00000
     10      10.6171      0.00000
     11      10.8958      0.00000
     12      13.4398      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3526      2.00000
      2       0.5033      2.00000
      3       0.7122      2.00000
      4       2.6605      2.00000
      5       7.5598      0.00000
      6       8.5252      0.00000
      7       8.6268      0.00000
      8       9.3178      0.00000
      9      10.0072      0.00000
     10      10.0516      0.00000
     11      10.2857      0.00000
     12      13.3333      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5261      2.00000
      2       3.5609      2.00000
      3       3.8369      2.00000
      4       4.4328      2.00000
      5       5.9348      1.92333
      6       6.5038      0.15642
      7       7.9513      0.00000
      8      10.8329      0.00000
      9      11.4811      0.00000
     10      11.8558      0.00000
     11      12.3642      0.00000
     12      12.8497      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4767      2.00000
      2       3.5938      2.00000
      3       3.6348      2.00000
      4       4.0642      2.00000
      5       6.5334      0.11866
      6       6.5776      0.07792
      7       8.0762      0.00000
      8      10.7235      0.00000
      9      10.7727      0.00000
     10      11.3226      0.00000
     11      12.6517      0.00000
     12      13.3250      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3293      2.00000
      2       2.6837      2.00000
      3       3.7649      2.00000
      4       4.1219      2.00000
      5       6.7023      0.02303
      6       7.3002      0.00006
      7       8.6638      0.00000
      8       9.7026      0.00000
      9      10.0546      0.00000
     10      11.1890      0.00000
     11      12.2632      0.00000
     12      13.2373      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0871      2.00000
      2       1.7051      2.00000
      3       4.0169      2.00000
      4       4.3350      2.00000
      5       6.9451      0.00205
      6       7.5947      0.00000
      7       8.6964      0.00000
      8       9.0959      0.00000
      9       9.9734      0.00000
     10      11.3545      0.00000
     11      11.4493      0.00000
     12      12.7758      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7581      2.00000
      2       0.8051      2.00000
      3       4.3670      2.00000
      4       4.6326      2.00000
      5       7.2175      0.00013
      6       7.6007      0.00000
      7       7.8477      0.00000
      8       8.4807      0.00000
      9      10.5603      0.00000
     10      11.3428      0.00000
     11      11.6513      0.00000
     12      12.4237      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3668      2.00000
      2       0.0280      2.00000
      3       4.8078      2.00000
      4       4.9829      1.99999
      5       6.8247      0.00683
      6       7.2116      0.00014
      7       7.8620      0.00000
      8       8.3016      0.00000
      9       9.7563      0.00000
     10      11.6908      0.00000
     11      12.0861      0.00000
     12      13.2409      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0125      2.00000
      2      -0.5203      2.00000
      3       5.2874      1.99988
      4       5.2941      1.99987
      5       6.1724      1.39972
      6       6.7900      0.00965
      7       8.3198      0.00000
      8       8.3771      0.00000
      9       9.0303      0.00000
     10      11.5679      0.00000
     11      12.3669      0.00000
     12      13.8840      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6437      2.00000
      3       3.8797      2.00000
      4       4.5795      2.00000
      5       6.1469      1.50096
      6       7.1310      0.00032
      7       8.6172      0.00000
      8       9.8255      0.00000
      9      10.5026      0.00000
     10      11.7658      0.00000
     11      11.8744      0.00000
     12      12.8812      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6794      2.00000
      3       3.7678      2.00000
      4       4.1245      2.00000
      5       6.7062      0.02217
      6       7.2980      0.00006
      7       8.6617      0.00000
      8       9.6989      0.00000
      9      10.0544      0.00000
     10      11.1933      0.00000
     11      12.2611      0.00000
     12      13.2363      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6321      2.00000
      3       3.0720      2.00000
      4       4.1436      2.00000
      5       7.0877      0.00049
      6       8.0885      0.00000
      7       8.6985      0.00000
      8       9.1027      0.00000
      9       9.8189      0.00000
     10      10.4919      0.00000
     11      12.4855      0.00000
     12      13.1093      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8174      2.00000
      3       3.1488      2.00000
      4       4.3594      2.00000
      5       7.1869      0.00018
      6       8.0217      0.00000
      7       8.4973      0.00000
      8       9.1914      0.00000
      9       9.9034      0.00000
     10      10.6025      0.00000
     11      11.9405      0.00000
     12      13.1302      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9330      2.00000
      3       3.4601      2.00000
      4       4.6630      2.00000
      5       6.7390      0.01601
      6       7.8604      0.00000
      7       8.0772      0.00000
      8       9.1131      0.00000
      9      10.5290      0.00000
     10      11.1424      0.00000
     11      11.7138      0.00000
     12      12.8229      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2147      2.00000
      2       0.1584      2.00000
      3       3.8523      2.00000
      4       5.0204      1.99999
      5       6.0480      1.78001
      6       7.3004      0.00006
      7       8.2577      0.00000
      8       9.2716      0.00000
      9      10.4509      0.00000
     10      10.9432      0.00000
     11      12.3367      0.00000
     12      13.1548      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8554      2.00000
      2      -0.3932      2.00000
      3       4.2299      2.00000
      4       5.2802      1.99989
      5       5.5663      1.99800
      6       6.8028      0.00849
      7       8.5620      0.00000
      8       9.4138      0.00000
      9       9.9424      0.00000
     10      11.2838      0.00000
     11      11.9811      0.00000
     12      13.0355      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6595      2.00000
      3       4.1139      2.00000
      4       4.8227      2.00000
      5       6.3910      0.41530
      6       7.4343      0.00002
      7       8.8203      0.00000
      8       9.4717      0.00000
      9       9.8988      0.00000
     10      10.9709      0.00000
     11      12.0721      0.00000
     12      12.5052      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0874      2.00000
      2       1.7015      2.00000
      3       4.0196      2.00000
      4       4.3377      2.00000
      5       6.9485      0.00198
      6       7.5940      0.00000
      7       8.6971      0.00000
      8       9.0937      0.00000
      9       9.9690      0.00000
     10      11.3507      0.00000
     11      11.4547      0.00000
     12      12.7739      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8142      2.00000
      3       3.1527      2.00000
      4       4.3594      2.00000
      5       7.1870      0.00018
      6       8.0222      0.00000
      7       8.5007      0.00000
      8       9.1881      0.00000
      9       9.9017      0.00000
     10      10.6045      0.00000
     11      11.9352      0.00000
     12      13.1365      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6947      2.00000
      2       1.8118      2.00000
      3       2.4059      2.00000
      4       4.5723      2.00000
      5       6.6597      0.03505
      6       7.9143      0.00000
      7       8.9526      0.00000
      8       9.4202      0.00000
      9       9.9100      0.00000
     10      10.6826      0.00000
     11      11.9770      0.00000
     12      12.8234      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3620      2.00000
      2       1.1239      2.00000
      3       2.5061      2.00000
      4       4.8502      2.00000
      5       5.9061      1.94193
      6       8.0913      0.00000
      7       8.3537      0.00000
      8       9.6011      0.00000
      9      10.3413      0.00000
     10      11.5295      0.00000
     11      11.8003      0.00000
     12      12.8224      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9634      2.00000
      2       0.3675      2.00000
      3       2.8560      2.00000
      4       4.9211      2.00000
      5       5.4871      1.99909
      6       7.5291      0.00001
      7       8.5231      0.00000
      8       9.9308      0.00000
      9      10.3415      0.00000
     10      11.2546      0.00000
     11      12.3463      0.00000
     12      12.8017      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5949      2.00000
      2      -0.1878      2.00000
      3       3.1954      2.00000
      4       4.5145      2.00000
      5       5.7205      1.99070
      6       6.9999      0.00119
      7       8.8226      0.00000
      8       9.9946      0.00000
      9      10.3130      0.00000
     10      11.2895      0.00000
     11      11.8096      0.00000
     12      13.0829      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7583      2.00000
      3       4.4428      2.00000
      4       5.1586      1.99997
      5       6.6793      0.02892
      6       7.5829      0.00000
      7       8.0327      0.00000
      8       8.5390      0.00000
      9      10.1185      0.00000
     10      11.3376      0.00000
     11      12.1155      0.00000
     12      12.3894      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7587      2.00000
      2       0.8022      2.00000
      3       4.3695      2.00000
      4       4.6352      2.00000
      5       7.2185      0.00013
      6       7.6019      0.00000
      7       7.8488      0.00000
      8       8.4795      0.00000
      9      10.5649      0.00000
     10      11.3342      0.00000
     11      11.6514      0.00000
     12      12.4228      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9302      2.00000
      3       3.4642      2.00000
      4       4.6629      2.00000
      5       6.7394      0.01595
      6       7.8611      0.00000
      7       8.0758      0.00000
      8       9.1153      0.00000
      9      10.5314      0.00000
     10      11.1519      0.00000
     11      11.6961      0.00000
     12      12.8246      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3623      2.00000
      2       1.1215      2.00000
      3       2.5091      2.00000
      4       4.8501      2.00000
      5       5.9064      1.94173
      6       8.0922      0.00000
      7       8.3499      0.00000
      8       9.6039      0.00000
      9      10.3458      0.00000
     10      11.5389      0.00000
     11      11.7839      0.00000
     12      12.8239      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       1.1867      2.00000
      3       1.8383      2.00000
      4       4.8111      2.00000
      5       5.4330      1.99947
      6       8.4021      0.00000
      7       8.4253      0.00000
      8       8.9578      0.00000
      9      11.1832      0.00000
     10      11.8050      0.00000
     11      12.0776      0.00000
     12      12.1227      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6187      2.00000
      2       0.6296      2.00000
      3       1.9599      2.00000
      4       4.2139      2.00000
      5       5.6992      1.99247
      6       7.8212      0.00000
      7       8.8214      0.00000
      8       9.0854      0.00000
      9      10.8188      0.00000
     10      11.4646      0.00000
     11      12.1808      0.00000
     12      12.6134      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2341      2.00000
      2       0.0814      2.00000
      3       2.2422      2.00000
      4       3.7362      2.00000
      5       6.0514      1.77316
      6       7.2819      0.00007
      7       9.1586      0.00000
      8       9.3735      0.00000
      9      10.3072      0.00000
     10      11.0852      0.00000
     11      12.4032      0.00000
     12      12.8539      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0183      2.00000
      3       4.8469      2.00000
      4       5.5749      1.99782
      5       6.7498      0.01439
      6       7.4461      0.00001
      7       7.7239      0.00000
      8       7.8860      0.00000
      9       9.3438      0.00000
     10      11.6141      0.00000
     11      12.7693      0.00000
     12      13.0851      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3678      2.00000
      2       0.0258      2.00000
      3       4.8101      2.00000
      4       4.9857      1.99999
      5       6.8229      0.00695
      6       7.2128      0.00014
      7       7.8665      0.00000
      8       8.3001      0.00000
      9       9.7578      0.00000
     10      11.6918      0.00000
     11      12.0898      0.00000
     12      13.2301      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2155      2.00000
      2       0.1562      2.00000
      3       3.8562      2.00000
      4       5.0204      1.99999
      5       6.0487      1.77864
      6       7.2988      0.00006
      7       8.2571      0.00000
      8       9.2749      0.00000
      9      10.4490      0.00000
     10      10.9523      0.00000
     11      12.3368      0.00000
     12      13.1460      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9641      2.00000
      2       0.3656      2.00000
      3       2.8590      2.00000
      4       4.9218      2.00000
      5       5.4871      1.99909
      6       7.5272      0.00001
      7       8.5215      0.00000
      8       9.9327      0.00000
      9      10.3456      0.00000
     10      11.2567      0.00000
     11      12.3463      0.00000
     12      12.8089      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6191      2.00000
      2       0.6280      2.00000
      3       1.9619      2.00000
      4       4.2143      2.00000
      5       5.6991      1.99248
      6       7.8194      0.00000
      7       8.8182      0.00000
      8       9.0901      0.00000
      9      10.8202      0.00000
     10      11.4636      0.00000
     11      12.1704      0.00000
     12      12.6356      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1977      2.00000
      2       0.7666      2.00000
      3       1.3427      2.00000
      4       3.5391      2.00000
      5       6.0816      1.70497
      6       8.0125      0.00000
      7       8.4401      0.00000
      8       9.2142      0.00000
      9      10.6949      0.00000
     10      10.9752      0.00000
     11      11.7546      0.00000
     12      13.9304      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7832      2.00000
      2       0.3760      2.00000
      3       1.3956      2.00000
      4       3.0886      2.00000
      5       6.4707      0.21124
      6       7.6027      0.00000
      7       8.5605      0.00000
      8       9.5818      0.00000
      9      10.1441      0.00000
     10      10.7918      0.00000
     11      11.6489      0.00000
     12      13.8537      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0665      2.00000
      2      -0.5648      2.00000
      3       5.2471      1.99992
      4       6.0002      1.85760
      5       6.3349      0.62943
      6       7.0954      0.00046
      7       7.6154      0.00000
      8       8.1171      0.00000
      9       8.6732      0.00000
     10      11.4423      0.00000
     11      13.1143      0.00000
     12      14.1418      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2      -0.5219      2.00000
      3       5.2782      1.99989
      4       5.3094      1.99985
      5       6.1700      1.40958
      6       6.7909      0.00956
      7       8.3167      0.00000
      8       8.3846      0.00000
      9       9.0299      0.00000
     10      11.5677      0.00000
     11      12.3740      0.00000
     12      13.8851      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8567      2.00000
      2      -0.3948      2.00000
      3       4.2339      2.00000
      4       5.2825      1.99988
      5       5.5647      1.99803
      6       6.8013      0.00862
      7       8.5599      0.00000
      8       9.4196      0.00000
      9       9.9409      0.00000
     10      11.2926      0.00000
     11      11.9818      0.00000
     12      13.0365      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5960      2.00000
      2      -0.1892      2.00000
      3       3.1983      2.00000
      4       4.5157      2.00000
      5       5.7202      1.99072
      6       6.9978      0.00121
      7       8.8202      0.00000
      8       9.9969      0.00000
      9      10.3147      0.00000
     10      11.2954      0.00000
     11      11.8090      0.00000
     12      13.0945      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2350      2.00000
      2       0.0802      2.00000
      3       2.2443      2.00000
      4       3.7369      2.00000
      5       6.0515      1.77309
      6       7.2797      0.00007
      7       9.1533      0.00000
      8       9.3799      0.00000
      9      10.3084      0.00000
     10      11.0860      0.00000
     11      12.3824      0.00000
     12      12.8896      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7836      2.00000
      2       0.3752      2.00000
      3       1.3969      2.00000
      4       3.0889      2.00000
      5       6.4709      0.21086
      6       7.6005      0.00000
      7       8.5621      0.00000
      8       9.5816      0.00000
      9      10.1440      0.00000
     10      10.7929      0.00000
     11      11.6472      0.00000
     12      13.8571      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3005      2.00000
      2       0.5558      2.00000
      3       0.7632      2.00000
      4       2.6813      2.00000
      5       6.9123      0.00285
      6       7.8158      0.00000
      7       7.9729      0.00000
      8       9.7150      0.00000
      9      10.0847      0.00000
     10      10.8048      0.00000
     11      11.0576      0.00000
     12      13.7159      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2314      2.00000
      2       2.5792      2.00000
      3       3.0698      2.00000
      4       4.7261      2.00000
      5       6.4100      0.35613
      6       8.0456      0.00000
      7       8.6490      0.00000
      8       9.1557      0.00000
      9      10.5019      0.00000
     10      10.8458      0.00000
     11      11.8487      0.00000
     12      12.6346      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1818      2.00000
      2       2.6305      2.00000
      3       3.0690      2.00000
      4       4.1493      2.00000
      5       7.0904      0.00048
      6       8.0869      0.00000
      7       8.6980      0.00000
      8       9.0961      0.00000
      9       9.8246      0.00000
     10      10.4928      0.00000
     11      12.4874      0.00000
     12      13.1099      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0337      2.00000
      2       2.7652      2.00000
      3       2.8092      2.00000
      4       3.5481      2.00000
      5       8.1199      0.00000
      6       8.1992      0.00000
      7       8.8199      0.00000
      8       8.8536      0.00000
      9       8.8811      0.00000
     10      10.1772      0.00000
     11      13.0618      0.00000
     12      13.7818      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7902      2.00000
      2       1.9419      2.00000
      3       3.0425      2.00000
      4       3.6087      2.00000
      5       7.6306      0.00000
      6       7.9953      0.00000
      7       8.6137      0.00000
      8       9.0811      0.00000
      9       9.3110      0.00000
     10      10.5974      0.00000
     11      12.7790      0.00000
     12      13.6536      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4587      2.00000
      2       1.0647      2.00000
      3       3.3988      2.00000
      4       3.8487      2.00000
      5       6.7349      0.01668
      6       7.3067      0.00006
      7       8.9205      0.00000
      8       9.3946      0.00000
      9       9.6691      0.00000
     10      11.8116      0.00000
     11      12.0543      0.00000
     12      12.9301      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0624      2.00000
      2       0.2910      2.00000
      3       3.8499      2.00000
      4       4.1376      2.00000
      5       5.9013      1.94458
      6       6.6899      0.02605
      7       9.3557      0.00000
      8       9.6934      0.00000
      9       9.9378      0.00000
     10      11.2561      0.00000
     11      12.1546      0.00000
     12      12.9834      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6983      2.00000
      2      -0.2642      2.00000
      3       4.3593      2.00000
      4       4.3685      2.00000
      5       5.1978      1.99995
      6       6.2901      0.83636
      7       9.8288      0.00000
      8       9.8801      0.00000
      9      10.2667      0.00000
     10      10.5601      0.00000
     11      11.5937      0.00000
     12      12.9146      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7693      2.00000
      3       3.1255      2.00000
      4       4.9691      1.99999
      5       6.5680      0.08543
      6       7.9142      0.00000
      7       8.5931      0.00000
      8       9.6090      0.00000
      9      10.0263      0.00000
     10      10.9297      0.00000
     11      11.3398      0.00000
     12      12.6401      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9391      2.00000
      2       1.8141      2.00000
      3       3.1480      2.00000
      4       4.3653      2.00000
      5       7.1880      0.00018
      6       8.0212      0.00000
      7       8.4990      0.00000
      8       9.1913      0.00000
      9       9.9009      0.00000
     10      10.6045      0.00000
     11      11.9395      0.00000
     12      13.1352      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7904      2.00000
      2       1.9384      2.00000
      3       3.0452      2.00000
      4       3.6101      2.00000
      5       7.6288      0.00000
      6       7.9957      0.00000
      7       8.6166      0.00000
      8       9.0861      0.00000
      9       9.3076      0.00000
     10      10.5952      0.00000
     11      12.7765      0.00000
     12      13.6502      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5456      2.00000
      2       1.9671      2.00000
      3       2.4574      2.00000
      4       3.6308      2.00000
      5       6.8647      0.00458
      6       7.9159      0.00000
      7       8.5397      0.00000
      8       9.1007      0.00000
      9      10.0709      0.00000
     10      10.9316      0.00000
     11      13.0668      0.00000
     12      13.0761      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2639      2.00000
      3       2.6063      2.00000
      4       3.8872      2.00000
      5       6.0121      1.84104
      6       7.3184      0.00005
      7       8.6483      0.00000
      8       9.4148      0.00000
      9      10.6284      0.00000
     10      11.8626      0.00000
     11      12.3528      0.00000
     12      12.6969      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5043      2.00000
      3       2.9793      2.00000
      4       4.1962      2.00000
      5       5.2621      1.99990
      6       6.6656      0.03307
      7       8.9718      0.00000
      8       9.7737      0.00000
      9      10.8974      0.00000
     10      11.3847      0.00000
     11      12.0353      0.00000
     12      13.5888      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4381      2.00000
      2      -0.0552      2.00000
      3       3.3413      2.00000
      4       4.4051      2.00000
      5       4.7667      2.00000
      6       6.2234      1.16691
      7       9.2540      0.00000
      8      10.1342      0.00000
      9      10.8075      0.00000
     10      11.1085      0.00000
     11      11.5770      0.00000
     12      13.5001      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8852      2.00000
      3       3.4282      2.00000
      4       5.3049      1.99985
      5       6.4562      0.24029
      6       7.4667      0.00001
      7       8.6827      0.00000
      8       8.8180      0.00000
      9      10.6476      0.00000
     10      11.2527      0.00000
     11      11.4931      0.00000
     12      12.5260      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6091      2.00000
      2       0.9301      2.00000
      3       3.4593      2.00000
      4       4.6688      2.00000
      5       6.7371      0.01632
      6       7.8605      0.00000
      7       8.0831      0.00000
      8       9.1121      0.00000
      9      10.5310      0.00000
     10      11.1546      0.00000
     11      11.6970      0.00000
     12      12.8219      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4592      2.00000
      2       1.0618      2.00000
      3       3.4014      2.00000
      4       3.8500      2.00000
      5       6.7337      0.01688
      6       7.3068      0.00006
      7       8.9226      0.00000
      8       9.3976      0.00000
      9       9.6718      0.00000
     10      11.8270      0.00000
     11      12.0313      0.00000
     12      12.9290      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2121      2.00000
      2       1.2614      2.00000
      3       2.6094      2.00000
      4       3.8871      2.00000
      5       6.0123      1.84078
      6       7.3169      0.00005
      7       8.6495      0.00000
      8       9.4162      0.00000
      9      10.6329      0.00000
     10      11.8637      0.00000
     11      12.3488      0.00000
     12      12.6909      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8744      2.00000
      2       1.3430      2.00000
      3       1.9447      2.00000
      4       4.1181      2.00000
      5       5.2391      1.99992
      6       7.3372      0.00004
      7       8.0502      0.00000
      8       9.7311      0.00000
      9      11.2770      0.00000
     10      11.8806      0.00000
     11      12.5425      0.00000
     12      12.7950      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4661      2.00000
      2       0.7742      2.00000
      3       2.0909      2.00000
      4       4.1376      2.00000
      5       4.8440      2.00000
      6       6.8528      0.00516
      7       8.1229      0.00000
      8      10.0385      0.00000
      9      10.6838      0.00000
     10      11.9975      0.00000
     11      12.8471      0.00000
     12      13.3149      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0778      2.00000
      2       0.2198      2.00000
      3       2.3918      2.00000
      4       3.7747      2.00000
      5       5.0117      1.99999
      6       6.3871      0.42832
      7       8.3415      0.00000
      8      10.0590      0.00000
      9      10.5400      0.00000
     10      11.6766      0.00000
     11      13.0087      0.00000
     12      13.6624      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1113      2.00000
      3       3.8122      2.00000
      4       5.7209      1.99066
      5       5.9123      1.93832
      6       7.5771      0.00000
      7       7.8704      0.00000
      8       8.9551      0.00000
      9      10.1162      0.00000
     10      11.6357      0.00000
     11      12.2056      0.00000
     12      12.8433      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2156      2.00000
      2       0.1561      2.00000
      3       3.8509      2.00000
      4       5.0262      1.99999
      5       6.0466      1.78266
      6       7.3021      0.00006
      7       8.2618      0.00000
      8       9.2717      0.00000
      9      10.4485      0.00000
     10      10.9543      0.00000
     11      12.3342      0.00000
     12      13.1470      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0633      2.00000
      2       0.2888      2.00000
      3       3.8523      2.00000
      4       4.1388      2.00000
      5       5.9003      1.94510
      6       6.6903      0.02593
      7       9.3565      0.00000
      8       9.6921      0.00000
      9       9.9463      0.00000
     10      11.2606      0.00000
     11      12.1561      0.00000
     12      12.9786      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8117      2.00000
      2       0.5023      2.00000
      3       2.9824      2.00000
      4       4.1961      2.00000
      5       5.2621      1.99990
      6       6.6644      0.03346
      7       8.9729      0.00000
      8       9.7746      0.00000
      9      10.9034      0.00000
     10      11.3855      0.00000
     11      12.0374      0.00000
     12      13.5787      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4665      2.00000
      2       0.7725      2.00000
      3       2.0931      2.00000
      4       4.1380      2.00000
      5       4.8437      2.00000
      6       6.8515      0.00523
      7       8.1244      0.00000
      8      10.0385      0.00000
      9      10.6843      0.00000
     10      12.0000      0.00000
     11      12.8426      0.00000
     12      13.3269      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0443      2.00000
      2       0.9234      2.00000
      3       1.4732      2.00000
      4       3.5893      2.00000
      5       5.0858      1.99998
      6       6.9417      0.00212
      7       7.5432      0.00001
      8       9.8488      0.00000
      9      10.6250      0.00000
     10      12.2732      0.00000
     11      12.9042      0.00000
     12      14.0817      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6272      2.00000
      2       0.5234      2.00000
      3       1.5468      2.00000
      4       3.1490      2.00000
      5       5.4266      1.99951
      6       6.6107      0.05660
      7       7.5337      0.00001
      8       9.4955      0.00000
      9      10.9375      0.00000
     10      11.9947      0.00000
     11      12.9251      0.00000
     12      14.5533      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9092      2.00000
      2      -0.4385      2.00000
      3       4.1805      2.00000
      4       5.4023      1.99961
      5       6.1455      1.50637
      6       7.2421      0.00011
      7       7.7982      0.00000
      8       8.9628      0.00000
      9       9.8226      0.00000
     10      11.9787      0.00000
     11      11.9957      0.00000
     12      13.3987      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8567      2.00000
      2      -0.3950      2.00000
      3       4.2279      2.00000
      4       5.2835      1.99988
      5       5.5688      1.99795
      6       6.8043      0.00837
      7       8.5644      0.00000
      8       9.4194      0.00000
      9       9.9376      0.00000
     10      11.2938      0.00000
     11      11.9793      0.00000
     12      13.0372      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6996      2.00000
      2      -0.2658      2.00000
      3       4.3505      2.00000
      4       4.3818      2.00000
      5       5.1956      1.99995
      6       6.2910      0.83175
      7       9.8178      0.00000
      8       9.8871      0.00000
      9      10.2775      0.00000
     10      10.5657      0.00000
     11      11.5944      0.00000
     12      12.9145      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4392      2.00000
      2      -0.0567      2.00000
      3       3.3443      2.00000
      4       4.4073      2.00000
      5       4.7641      2.00000
      6       6.2228      1.16984
      7       9.2545      0.00000
      8      10.1342      0.00000
      9      10.8084      0.00000
     10      11.1166      0.00000
     11      11.5779      0.00000
     12      13.5029      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0785      2.00000
      2       0.2186      2.00000
      3       2.3939      2.00000
      4       3.7755      2.00000
      5       5.0107      1.99999
      6       6.3861      0.43172
      7       8.3430      0.00000
      8      10.0597      0.00000
      9      10.5393      0.00000
     10      11.6788      0.00000
     11      13.0024      0.00000
     12      13.6831      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6276      2.00000
      2       0.5224      2.00000
      3       1.5481      2.00000
      4       3.1493      2.00000
      5       5.4262      1.99951
      6       6.6097      0.05714
      7       7.5349      0.00001
      8       9.4958      0.00000
      9      10.9369      0.00000
     10      11.9959      0.00000
     11      12.9219      0.00000
     12      14.5717      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1446      2.00000
      2       0.7128      2.00000
      3       0.9158      2.00000
      4       2.7411      2.00000
      5       5.8699      1.95922
      6       6.7426      0.01546
      7       6.9369      0.00223
      8       9.1431      0.00000
      9      11.3812      0.00000
     10      12.1283      0.00000
     11      12.3513      0.00000
     12      14.6315      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7449      2.00000
      2       1.7585      2.00000
      3       2.3748      2.00000
      4       5.2118      1.99994
      5       6.3569      0.53861
      6       7.4620      0.00001
      7       9.7144      0.00000
      8       9.7383      0.00000
      9      10.0226      0.00000
     10      10.3504      0.00000
     11      11.2967      0.00000
     12      12.4489      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6950      2.00000
      2       1.8104      2.00000
      3       2.4029      2.00000
      4       4.5782      2.00000
      5       6.6575      0.03582
      6       7.9160      0.00000
      7       8.9634      0.00000
      8       9.4175      0.00000
      9       9.9077      0.00000
     10      10.6803      0.00000
     11      11.9784      0.00000
     12      12.8245      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5457      2.00000
      2       1.9658      2.00000
      3       2.4549      2.00000
      4       3.6350      2.00000
      5       6.8615      0.00473
      6       7.9190      0.00000
      7       8.5419      0.00000
      8       9.1060      0.00000
      9      10.0670      0.00000
     10      10.9297      0.00000
     11      13.0345      0.00000
     12      13.1115      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2998      2.00000
      2       2.2040      2.00000
      3       2.2488      2.00000
      4       3.0642      2.00000
      5       6.8726      0.00424
      6       6.9264      0.00247
      7       7.9361      0.00000
      8      10.3015      0.00000
      9      10.3359      0.00000
     10      11.1692      0.00000
     11      12.3425      0.00000
     12      13.7475      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9641      2.00000
      2       1.4826      2.00000
      3       2.5853      2.00000
      4       3.1523      2.00000
      5       5.9566      1.90558
      6       6.5460      0.10537
      7       7.8189      0.00000
      8      10.6566      0.00000
      9      10.8593      0.00000
     10      11.3761      0.00000
     11      12.5432      0.00000
     12      13.5790      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5594      2.00000
      2       0.7257      2.00000
      3       3.0404      2.00000
      4       3.3925      2.00000
      5       5.1081      1.99998
      6       6.0269      1.81801
      7       8.0341      0.00000
      8      10.4481      0.00000
      9      11.0939      0.00000
     10      11.5087      0.00000
     11      12.9316      0.00000
     12      13.9452      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1782      2.00000
      2       0.1603      2.00000
      3       3.5564      2.00000
      4       3.5893      2.00000
      5       4.3944      2.00000
      6       5.6729      1.99421
      7       8.2576      0.00000
      8      10.0633      0.00000
      9      11.5977      0.00000
     10      11.6310      0.00000
     11      12.2886      0.00000
     12      14.0097      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4128      2.00000
      2       1.0738      2.00000
      3       2.4667      2.00000
      4       5.5473      1.99835
      5       5.7101      1.99161
      6       7.5425      0.00001
      7       8.9163      0.00000
      8      10.0107      0.00000
      9      10.2125      0.00000
     10      11.0963      0.00000
     11      11.4299      0.00000
     12      12.6277      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3625      2.00000
      2       1.1212      2.00000
      3       2.5047      2.00000
      4       4.8555      2.00000
      5       5.9046      1.94276
      6       8.0900      0.00000
      7       8.3616      0.00000
      8       9.6054      0.00000
      9      10.3426      0.00000
     10      11.5403      0.00000
     11      11.7844      0.00000
     12      12.8227      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2122      2.00000
      2       1.2612      2.00000
      3       2.6054      2.00000
      4       3.8915      2.00000
      5       6.0099      1.84421
      6       7.3201      0.00005
      7       8.6496      0.00000
      8       9.4230      0.00000
      9      10.6274      0.00000
     10      11.8626      0.00000
     11      12.3522      0.00000
     12      12.6929      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       1.4798      2.00000
      3       2.5876      2.00000
      4       3.1529      2.00000
      5       5.9554      1.90660
      6       6.5461      0.10528
      7       7.8208      0.00000
      8      10.6602      0.00000
      9      10.8630      0.00000
     10      11.3729      0.00000
     11      12.5412      0.00000
     12      13.5757      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6253      2.00000
      2       1.6025      2.00000
      3       2.0840      2.00000
      4       3.2267      2.00000
      5       5.3112      1.99984
      6       6.3063      0.75849
      7       7.2570      0.00009
      8      10.3471      0.00000
      9      11.2283      0.00000
     10      12.2105      0.00000
     11      13.0098      0.00000
     12      13.9548      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2139      2.00000
      2       1.0102      2.00000
      3       2.2962      2.00000
      4       3.5066      2.00000
      5       4.5846      2.00000
      6       5.9184      1.93457
      7       7.2072      0.00015
      8       9.7502      0.00000
      9      11.6136      0.00000
     10      12.7687      0.00000
     11      13.6177      0.00000
     12      14.2493      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8185      2.00000
      2       0.4457      2.00000
      3       2.6375      2.00000
      4       3.7109      2.00000
      5       4.0851      2.00000
      6       5.5498      1.99831
      7       7.3392      0.00004
      8       9.3712      0.00000
      9      11.9762      0.00000
     10      12.8706      0.00000
     11      13.3041      0.00000
     12      14.8970      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0152      2.00000
      2       0.3191      2.00000
      3       2.8108      2.00000
      4       5.0226      1.99999
      5       5.9628      1.89986
      6       7.8075      0.00000
      7       8.1100      0.00000
      8       9.7729      0.00000
      9      10.5953      0.00000
     10      11.1205      0.00000
     11      12.1674      0.00000
     12      12.9262      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9642      2.00000
      2       0.3653      2.00000
      3       2.8542      2.00000
      4       4.9215      2.00000
      5       5.4915      1.99905
      6       7.5307      0.00001
      7       8.5262      0.00000
      8       9.9358      0.00000
      9      10.3466      0.00000
     10      11.2554      0.00000
     11      12.3461      0.00000
     12      12.8078      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8118      2.00000
      2       0.5021      2.00000
      3       2.9778      2.00000
      4       4.2004      2.00000
      5       5.2611      1.99991
      6       6.6671      0.03259
      7       8.9718      0.00000
      8       9.7832      0.00000
      9      10.8983      0.00000
     10      11.3874      0.00000
     11      12.0382      0.00000
     12      13.5771      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5601      2.00000
      2       0.7236      2.00000
      3       3.0427      2.00000
      4       3.3930      2.00000
      5       5.1071      1.99998
      6       6.0272      1.81751
      7       8.0362      0.00000
      8      10.4489      0.00000
      9      11.1011      0.00000
     10      11.5079      0.00000
     11      12.9383      0.00000
     12      13.9323      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2142      2.00000
      2       1.0084      2.00000
      3       2.2985      2.00000
      4       3.5065      2.00000
      5       4.5843      2.00000
      6       5.9178      1.93494
      7       7.2086      0.00015
      8       9.7507      0.00000
      9      11.6139      0.00000
     10      12.7732      0.00000
     11      13.6231      0.00000
     12      14.2372      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7903      2.00000
      2       1.1838      2.00000
      3       1.6821      2.00000
      4       3.5567      2.00000
      5       4.2309      2.00000
      6       5.9056      1.94221
      7       6.6379      0.04339
      8       9.1728      0.00000
      9      12.0175      0.00000
     10      13.6239      0.00000
     11      14.1924      0.00000
     12      14.3685      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3685      2.00000
      2       0.7656      2.00000
      3       1.7966      2.00000
      4       3.2301      2.00000
      5       4.4110      2.00000
      6       5.6391      1.99587
      7       6.5277      0.12524
      8       8.8311      0.00000
      9      12.3971      0.00000
     10      13.3717      0.00000
     11      14.3274      0.00000
     12      14.8131      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6484      2.00000
      2      -0.2344      2.00000
      3       3.1437      2.00000
      4       4.5132      2.00000
      5       6.3865      0.43013
      6       7.4837      0.00001
      7       8.0583      0.00000
      8       9.4713      0.00000
      9      10.9522      0.00000
     10      11.2558      0.00000
     11      12.3579      0.00000
     12      12.4911      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5960      2.00000
      2      -0.1897      2.00000
      3       3.1929      2.00000
      4       4.5139      2.00000
      5       5.7275      1.99002
      6       7.0012      0.00117
      7       8.8235      0.00000
      8      10.0004      0.00000
      9      10.3208      0.00000
     10      11.2902      0.00000
     11      11.8082      0.00000
     12      13.0921      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4392      2.00000
      2      -0.0569      2.00000
      3       3.3389      2.00000
      4       4.4082      2.00000
      5       4.7681      2.00000
      6       6.2247      1.16031
      7       9.2522      0.00000
      8      10.1454      0.00000
      9      10.8120      0.00000
     10      11.1141      0.00000
     11      11.5720      0.00000
     12      13.5000      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1792      2.00000
      2       0.1587      2.00000
      3       3.5538      2.00000
      4       3.5955      2.00000
      5       4.3922      2.00000
      6       5.6737      1.99416
      7       8.2593      0.00000
      8      10.0650      0.00000
      9      11.6026      0.00000
     10      11.6342      0.00000
     11      12.2906      0.00000
     12      14.0103      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8192      2.00000
      2       0.4443      2.00000
      3       2.6398      2.00000
      4       3.7129      2.00000
      5       4.0823      2.00000
      6       5.5497      1.99831
      7       7.3406      0.00004
      8       9.3721      0.00000
      9      11.9755      0.00000
     10      12.8761      0.00000
     11      13.3053      0.00000
     12      14.9068      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3689      2.00000
      2       0.7645      2.00000
      3       1.7981      2.00000
      4       3.2305      2.00000
      5       4.4102      2.00000
      6       5.6389      1.99587
      7       6.5285      0.12427
      8       8.8314      0.00000
      9      12.3966      0.00000
     10      13.3738      0.00000
     11      14.3130      0.00000
     12      14.8397      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1142      2.00000
      2       0.9736      2.00000
      3       1.1679      2.00000
      4       2.8310      2.00000
      5       4.8462      2.00000
      6       5.7042      1.99209
      7       5.9227      1.93180
      8       8.5233      0.00000
      9      12.8423      0.00000
     10      13.5696      0.00000
     11      13.7797      0.00000
     12      15.8051      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0763      2.00000
      2       1.1333      2.00000
      3       1.7976      2.00000
      4       4.9103      2.00000
      5       5.8822      1.95400
      6       7.7997      0.00000
      7       9.1284      0.00000
      8       9.3953      0.00000
      9      10.4751      0.00000
     10      11.3195      0.00000
     11      11.9487      0.00000
     12      12.7732      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0257      2.00000
      2       1.1855      2.00000
      3       1.8351      2.00000
      4       4.8108      2.00000
      5       5.4372      1.99945
      6       8.3653      0.00000
      7       8.4739      0.00000
      8       8.9574      0.00000
      9      11.1918      0.00000
     10      11.8085      0.00000
     11      12.0379      0.00000
     12      12.1532      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8747      2.00000
      2       1.3419      2.00000
      3       1.9417      2.00000
      4       4.1220      2.00000
      5       5.2377      1.99993
      6       7.3409      0.00004
      7       8.0509      0.00000
      8       9.7378      0.00000
      9      11.2773      0.00000
     10      11.8831      0.00000
     11      12.5386      0.00000
     12      12.7975      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6254      2.00000
      2       1.6015      2.00000
      3       2.0814      2.00000
      4       3.2302      2.00000
      5       5.3090      1.99985
      6       6.3095      0.74346
      7       7.2572      0.00009
      8      10.3476      0.00000
      9      11.2350      0.00000
     10      12.2084      0.00000
     11      13.0068      0.00000
     12      13.9574      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2836      2.00000
      2       1.9423      2.00000
      3       1.9873      2.00000
      4       2.6960      2.00000
      5       5.3321      1.99981
      6       5.3801      1.99969
      7       6.6489      0.03896
      8       9.6501      0.00000
      9      12.5451      0.00000
     10      12.5827      0.00000
     11      13.5021      0.00000
     12      14.7094      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8668      2.00000
      2       1.3219      2.00000
      3       2.4216      2.00000
      4       2.8152      2.00000
      5       4.5022      2.00000
      6       5.1994      1.99995
      7       6.4041      0.37373
      8       9.0726      0.00000
      9      12.9854      0.00000
     10      13.3068      0.00000
     11      14.5945      0.00000
     12      14.7300      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4593      2.00000
      2       0.7479      2.00000
      3       2.9390      2.00000
      4       2.9946      2.00000
      5       3.7856      2.00000
      6       4.9652      2.00000
      7       6.4164      0.33781
      8       8.7329      0.00000
      9      13.4600      0.00000
     10      13.5724      0.00000
     11      14.1446      0.00000
     12      15.4855      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6704      2.00000
      2       0.5789      2.00000
      3       1.9129      2.00000
      4       4.2052      2.00000
      5       6.2971      0.80260
      6       8.1222      0.00000
      7       8.4347      0.00000
      8       9.6703      0.00000
      9      10.1382      0.00000
     10      11.5182      0.00000
     11      11.9915      0.00000
     12      12.4960      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6193      2.00000
      2       0.6275      2.00000
      3       1.9574      2.00000
      4       4.2126      2.00000
      5       5.7057      1.99197
      6       7.8230      0.00000
      7       8.8175      0.00000
      8       9.0983      0.00000
      9      10.8256      0.00000
     10      11.4668      0.00000
     11      12.1855      0.00000
     12      12.6128      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4666      2.00000
      2       0.7721      2.00000
      3       2.0887      2.00000
      4       4.1380      2.00000
      5       4.8473      2.00000
      6       6.8548      0.00506
      7       8.1243      0.00000
      8      10.0446      0.00000
      9      10.6874      0.00000
     10      12.0050      0.00000
     11      12.8449      0.00000
     12      13.3190      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2143      2.00000
      2       1.0082      2.00000
      3       2.2945      2.00000
      4       3.5100      2.00000
      5       4.5837      2.00000
      6       5.9201      1.93349
      7       7.2086      0.00015
      8       9.7512      0.00000
      9      11.6219      0.00000
     10      12.7695      0.00000
     11      13.6264      0.00000
     12      14.2361      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8671      2.00000
      2       1.3198      2.00000
      3       2.4238      2.00000
      4       2.8152      2.00000
      5       4.5011      2.00000
      6       5.2002      1.99995
      7       6.4052      0.37048
      8       9.0732      0.00000
      9      12.9918      0.00000
     10      13.3056      0.00000
     11      14.6474      0.00000
     12      14.6712      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4401      2.00000
      2       1.5459      2.00000
      3       1.9426      2.00000
      4       2.9866      2.00000
      5       4.0277      2.00000
      6       4.9509      2.00000
      7       5.8228      1.97433
      8       8.5464      0.00000
      9      13.5350      0.00000
     10      14.5088      0.00000
     11      15.1191      0.00000
     12      15.2270      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0100      2.00000
      2       1.0945      2.00000
      3       2.1393      2.00000
      4       3.2158      2.00000
      5       3.5684      2.00000
      6       4.7723      2.00000
      7       5.6026      1.99713
      8       8.2498      0.00000
      9      13.9380      0.00000
     10      14.7533      0.00000
     11      15.1616      0.00000
     12      15.7467      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2871      2.00000
      2       0.0328      2.00000
      3       2.1890      2.00000
      4       3.7182      2.00000
      5       6.7204      0.01925
      6       7.8129      0.00000
      7       8.4098      0.00000
      8       9.7709      0.00000
      9      10.0363      0.00000
     10      11.4215      0.00000
     11      11.6749      0.00000
     12      12.7856      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2349      2.00000
      2       0.0794      2.00000
      3       2.2391      2.00000
      4       3.7358      2.00000
      5       6.0591      1.75737
      6       7.2829      0.00007
      7       9.1412      0.00000
      8       9.3997      0.00000
      9      10.3139      0.00000
     10      11.0875      0.00000
     11      12.4084      0.00000
     12      12.8551      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0785      2.00000
      2       0.2179      2.00000
      3       2.3888      2.00000
      4       3.7746      2.00000
      5       5.0170      1.99999
      6       6.3884      0.42387
      7       8.3425      0.00000
      8      10.0617      0.00000
      9      10.5488      0.00000
     10      11.6833      0.00000
     11      13.0043      0.00000
     12      13.6730      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8191      2.00000
      2       0.4439      2.00000
      3       2.6347      2.00000
      4       3.7141      2.00000
      5       4.0861      2.00000
      6       5.5510      1.99829
      7       7.3406      0.00004
      8       9.3728      0.00000
      9      11.9851      0.00000
     10      12.8786      0.00000
     11      13.2998      0.00000
     12      14.9029      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4599      2.00000
      2       0.7463      2.00000
      3       2.9388      2.00000
      4       2.9979      2.00000
      5       3.7833      2.00000
      6       4.9663      2.00000
      7       6.4177      0.33427
      8       8.7339      0.00000
      9      13.4667      0.00000
     10      13.5729      0.00000
     11      14.1481      0.00000
     12      15.4881      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0103      2.00000
      2       1.0931      2.00000
      3       2.1410      2.00000
      4       3.2174      2.00000
      5       3.5658      2.00000
      6       4.7731      2.00000
      7       5.6030      1.99712
      8       8.2502      0.00000
      9      13.9376      0.00000
     10      14.7590      0.00000
     11      15.1554      0.00000
     12      15.7630      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4733      2.00000
      2       1.3363      2.00000
      3       1.5145      2.00000
      4       2.9329      2.00000
      5       3.9046      2.00000
      6       4.7476      2.00000
      7       4.9893      1.99999
      8       7.9841      0.00000
      9      14.3815      0.00000
     10      15.0508      0.00000
     11      15.2628      0.00000
     12      16.4020      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2492      2.00000
      2       0.7132      2.00000
      3       1.2941      2.00000
      4       3.5170      2.00000
      5       6.7115      0.02104
      6       8.4902      0.00000
      7       8.7452      0.00000
      8       8.9516      0.00000
      9      10.1883      0.00000
     10      11.0420      0.00000
     11      11.1949      0.00000
     12      13.5212      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1978      2.00000
      2       0.7655      2.00000
      3       1.3384      2.00000
      4       3.5380      2.00000
      5       6.0886      1.68705
      6       8.0165      0.00000
      7       8.4391      0.00000
      8       9.2219      0.00000
      9      10.6926      0.00000
     10      10.9885      0.00000
     11      11.7595      0.00000
     12      13.9475      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0443      2.00000
      2       0.9224      2.00000
      3       1.4691      2.00000
      4       3.5884      2.00000
      5       5.0913      1.99998
      6       6.9457      0.00204
      7       7.5428      0.00001
      8       9.8503      0.00000
      9      10.6330      0.00000
     10      12.2832      0.00000
     11      12.9098      0.00000
     12      14.0719      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7903      2.00000
      2       1.1830      2.00000
      3       1.6782      2.00000
      4       3.5573      2.00000
      5       4.2340      2.00000
      6       5.9089      1.94034
      7       6.6374      0.04364
      8       9.1737      0.00000
      9      12.0261      0.00000
     10      13.6366      0.00000
     11      14.2019      0.00000
     12      14.3535      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4401      2.00000
      2       1.5452      2.00000
      3       1.9391      2.00000
      4       2.9901      2.00000
      5       4.0269      2.00000
      6       4.9537      2.00000
      7       5.8221      1.97450
      8       8.5469      0.00000
      9      13.5434      0.00000
     10      14.5112      0.00000
     11      15.1274      0.00000
     12      15.2159      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0067      2.00000
      2       1.9834      2.00000
      3       2.0276      2.00000
      4       2.4585      2.00000
      5       4.0721      2.00000
      6       4.1173      2.00000
      7       5.1656      1.99996
      8       8.0757      0.00000
      9      14.9437      0.00000
     10      14.9799      0.00000
     11      15.8011      0.00000
     12      15.9527      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4395      2.00000
      2       1.4859      2.00000
      3       2.5223      2.00000
      4       2.5917      2.00000
      5       3.3777      2.00000
      6       4.1196      2.00000
      7       4.7874      2.00000
      8       7.8188      0.00000
      9      15.4011      0.00000
     10      15.6058      0.00000
     11      15.9893      0.00000
     12      16.8382      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8352      2.00000
      2       0.3245      2.00000
      3       1.3407      2.00000
      4       3.0670      2.00000
      5       7.1369      0.00030
      6       8.2058      0.00000
      7       8.8382      0.00000
      8       9.2332      0.00000
      9       9.9532      0.00000
     10      10.6198      0.00000
     11      10.9041      0.00000
     12      13.4419      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7831      2.00000
      2       0.3739      2.00000
      3       1.3913      2.00000
      4       3.0886      2.00000
      5       6.4792      0.19571
      6       7.6037      0.00000
      7       8.5586      0.00000
      8       9.5917      0.00000
      9      10.1480      0.00000
     10      10.7983      0.00000
     11      11.6545      0.00000
     12      13.8594      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6271      2.00000
      2       0.5213      2.00000
      3       1.5427      2.00000
      4       3.1491      2.00000
      5       5.4332      1.99947
      6       6.6122      0.05578
      7       7.5342      0.00001
      8       9.4978      0.00000
      9      10.9465      0.00000
     10      12.0022      0.00000
     11      12.9312      0.00000
     12      14.5548      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3684      2.00000
      2       0.7636      2.00000
      3       1.7926      2.00000
      4       3.2305      2.00000
      5       4.4163      2.00000
      6       5.6406      1.99581
      7       6.5279      0.12495
      8       8.8326      0.00000
      9      12.4067      0.00000
     10      13.3807      0.00000
     11      14.3331      0.00000
     12      14.8115      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0099      2.00000
      2       1.0926      2.00000
      3       2.1356      2.00000
      4       3.2192      2.00000
      5       3.5698      2.00000
      6       4.7739      2.00000
      7       5.6025      1.99713
      8       8.2507      0.00000
      9      13.9478      0.00000
     10      14.7652      0.00000
     11      15.1544      0.00000
     12      15.7568      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4394      2.00000
      2       1.4840      2.00000
      3       2.5228      2.00000
      4       2.5939      2.00000
      5       3.3754      2.00000
      6       4.1216      2.00000
      7       4.7873      2.00000
      8       7.8192      0.00000
      9      15.4082      0.00000
     10      15.6035      0.00000
     11      15.9948      0.00000
     12      16.8492      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9251      2.00000
      2       1.7948      2.00000
      3       1.9390      2.00000
      4       2.9362      2.00000
      5       3.1578      2.00000
      6       3.8897      2.00000
      7       4.1631      2.00000
      8       7.5870      0.00000
      9      15.9331      0.00000
     10      16.4591      0.00000
     11      16.7042      0.00000
     12      16.8294      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3501      2.00000
      2       0.5022      2.00000
      3       0.7039      2.00000
      4       2.6609      2.00000
      5       7.5737      0.00000
      6       8.5322      0.00000
      7       8.6128      0.00000
      8       9.3275      0.00000
      9      10.0028      0.00000
     10      10.0677      0.00000
     11      10.2918      0.00000
     12      13.3357      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2980      2.00000
      2       0.5547      2.00000
      3       0.7550      2.00000
      4       2.6818      2.00000
      5       6.9234      0.00255
      6       7.8208      0.00000
      7       7.9666      0.00000
      8       9.7180      0.00000
      9      10.0937      0.00000
     10      10.8132      0.00000
     11      11.0617      0.00000
     12      13.7188      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1421      2.00000
      2       0.7118      2.00000
      3       0.9076      2.00000
      4       2.7417      2.00000
      5       5.8791      1.95537
      6       6.7466      0.01486
      7       6.9325      0.00233
      8       9.1454      0.00000
      9      11.3918      0.00000
     10      12.1372      0.00000
     11      12.3550      0.00000
     12      14.6355      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1167      2.00000
      2       0.9727      2.00000
      3       1.1599      2.00000
      4       2.8318      2.00000
      5       4.8544      2.00000
      6       5.7075      1.99183
      7       5.9185      1.93448
      8       8.5248      0.00000
      9      12.8539      0.00000
     10      13.5797      0.00000
     11      13.7840      0.00000
     12      15.8102      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4758      2.00000
      2       1.3355      2.00000
      3       1.5065      2.00000
      4       2.9338      2.00000
      5       3.9121      2.00000
      6       4.7504      2.00000
      7       4.9853      1.99999
      8       7.9849      0.00000
      9      14.3937      0.00000
     10      15.0624      0.00000
     11      15.2687      0.00000
     12      16.3918      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9272      2.00000
      2       1.7942      2.00000
      3       1.9308      2.00000
      4       2.9409      2.00000
      5       3.1611      2.00000
      6       3.8922      2.00000
      7       4.1595      2.00000
      8       7.5873      0.00000
      9      15.9438      0.00000
     10      16.4748      0.00000
     11      16.7169      0.00000
     12      16.8101      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4223      2.00000
      2       2.2955      2.00000
      3       2.3297      2.00000
      4       2.3731      2.00000
      5       3.1543      2.00000
      6       3.1903      2.00000
      7       3.5024      2.00000
      8       7.3751      0.00003
      9      17.2332      0.00000
     10      17.2760      0.00000
     11      17.4613      0.00000
     12      17.9453      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6393      2.00000
      3       4.3767      2.00000
      4       4.3825      2.00000
      5       5.6036      1.99710
      6       6.1559      1.46681
      7       7.7989      0.00000
      8      11.5711      0.00000
      9      11.5750      0.00000
     10      12.1711      0.00000
     11      12.8614      0.00000
     12      12.9879      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5639      2.00000
      3       3.8395      2.00000
      4       4.4258      2.00000
      5       5.9317      1.92561
      6       6.5079      0.15061
      7       7.9519      0.00000
      8      10.8393      0.00000
      9      11.4719      0.00000
     10      11.8599      0.00000
     11      12.3599      0.00000
     12      12.8468      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6482      2.00000
      3       3.8797      2.00000
      4       4.5725      2.00000
      5       6.1432      1.51478
      6       7.1342      0.00031
      7       8.6201      0.00000
      8       9.8313      0.00000
      9      10.4992      0.00000
     10      11.7966      0.00000
     11      11.8385      0.00000
     12      12.8760      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6632      2.00000
      3       4.1140      2.00000
      4       4.8157      2.00000
      5       6.3876      0.42665
      6       7.4361      0.00002
      7       8.8239      0.00000
      8       9.4691      0.00000
      9       9.9015      0.00000
     10      10.9781      0.00000
     11      12.0630      0.00000
     12      12.5069      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7612      2.00000
      3       4.4430      2.00000
      4       5.1517      1.99997
      5       6.6768      0.02962
      6       7.5836      0.00000
      7       8.0365      0.00000
      8       8.5353      0.00000
      9      10.1147      0.00000
     10      11.3513      0.00000
     11      12.1178      0.00000
     12      12.3805      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4177      2.00000
      2      -0.0160      2.00000
      3       4.8472      2.00000
      4       5.5679      1.99797
      5       6.7511      0.01421
      6       7.4459      0.00001
      7       7.7192      0.00000
      8       7.8874      0.00000
      9       9.3428      0.00000
     10      11.6165      0.00000
     11      12.7608      0.00000
     12      13.0945      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0651      2.00000
      2      -0.5632      2.00000
      3       5.2472      1.99992
      4       5.9924      1.86767
      5       6.3377      0.61745
      6       7.0944      0.00046
      7       7.6139      0.00000
      8       8.1126      0.00000
      9       8.6758      0.00000
     10      11.4437      0.00000
     11      13.1054      0.00000
     12      14.1350      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6113      2.00000
      3       4.5235      2.00000
      4       4.5292      2.00000
      5       5.7618      1.98597
      6       6.7609      0.01288
      7       8.5681      0.00000
      8      10.4539      0.00000
      9      10.4604      0.00000
     10      11.4063      0.00000
     11      12.8064      0.00000
     12      13.0048      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6440      2.00000
      3       3.8847      2.00000
      4       4.5725      2.00000
      5       6.1445      1.50999
      6       7.1356      0.00031
      7       8.6172      0.00000
      8       9.8318      0.00000
      9      10.4947      0.00000
     10      11.7929      0.00000
     11      11.8434      0.00000
     12      12.8732      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5821      2.00000
      3       3.0714      2.00000
      4       4.7191      2.00000
      5       6.4075      0.36361
      6       8.0478      0.00000
      7       8.6540      0.00000
      8       9.1593      0.00000
      9      10.4931      0.00000
     10      10.8464      0.00000
     11      11.8451      0.00000
     12      12.6315      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7730      2.00000
      3       3.1254      2.00000
      4       4.9622      2.00000
      5       6.5662      0.08689
      6       7.9152      0.00000
      7       8.5965      0.00000
      8       9.6058      0.00000
      9      10.0303      0.00000
     10      10.9281      0.00000
     11      11.3350      0.00000
     12      12.6358      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6586      2.00000
      2       0.8882      2.00000
      3       3.4284      2.00000
      4       5.2981      1.99986
      5       6.4570      0.23844
      6       7.4663      0.00001
      7       8.6791      0.00000
      8       8.8188      0.00000
      9      10.6475      0.00000
     10      11.2414      0.00000
     11      11.5029      0.00000
     12      12.5264      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2655      2.00000
      2       0.1137      2.00000
      3       3.8127      2.00000
      4       5.7139      1.99128
      5       5.9142      1.93718
      6       7.5783      0.00000
      7       7.8647      0.00000
      8       8.9533      0.00000
      9      10.1177      0.00000
     10      11.6260      0.00000
     11      12.2061      0.00000
     12      12.8464      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9078      2.00000
      2      -0.4367      2.00000
      3       4.1812      2.00000
      4       5.4041      1.99960
      5       6.1377      1.53466
      6       7.2411      0.00011
      7       7.7969      0.00000
      8       8.9566      0.00000
      9       9.8272      0.00000
     10      11.9805      0.00000
     11      11.9849      0.00000
     12      13.3907      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1867      2.00000
      2       1.6183      2.00000
      3       4.7666      2.00000
      4       4.7722      2.00000
      5       6.0245      1.82199
      6       7.0456      0.00075
      7       9.4179      0.00000
      8       9.4254      0.00000
      9       9.8371      0.00000
     10      10.5260      0.00000
     11      12.3264      0.00000
     12      13.2378      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1370      2.00000
      2       1.6596      2.00000
      3       4.1191      2.00000
      4       4.8156      2.00000
      5       6.3885      0.42340
      6       7.4389      0.00001
      7       8.8271      0.00000
      8       9.4649      0.00000
      9       9.8981      0.00000
     10      10.9715      0.00000
     11      12.0679      0.00000
     12      12.5031      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9887      2.00000
      2       1.7697      2.00000
      3       3.1294      2.00000
      4       4.9622      2.00000
      5       6.5661      0.08702
      6       7.9159      0.00000
      7       8.6018      0.00000
      8       9.6018      0.00000
      9      10.0257      0.00000
     10      10.9324      0.00000
     11      11.3315      0.00000
     12      12.6368      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7612      2.00000
      3       2.3758      2.00000
      4       5.2051      1.99995
      5       6.3578      0.53486
      6       7.4619      0.00001
      7       9.7076      0.00000
      8       9.7396      0.00000
      9      10.0225      0.00000
     10      10.3527      0.00000
     11      11.2947      0.00000
     12      12.4465      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4122      2.00000
      2       1.0769      2.00000
      3       2.4668      2.00000
      4       5.5406      1.99845
      5       5.7122      1.99143
      6       7.5415      0.00001
      7       8.9122      0.00000
      8      10.0090      0.00000
      9      10.2072      0.00000
     10      11.0932      0.00000
     11      11.4349      0.00000
     12      12.6275      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0142      2.00000
      2       0.3216      2.00000
      3       2.8113      2.00000
      4       5.0244      1.99999
      5       5.9560      1.90612
      6       7.8091      0.00000
      7       8.1042      0.00000
      8       9.7687      0.00000
      9      10.5904      0.00000
     10      11.1188      0.00000
     11      12.1651      0.00000
     12      12.9241      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6470      2.00000
      2      -0.2325      2.00000
      3       3.1446      2.00000
      4       4.5146      2.00000
      5       6.3790      0.45615
      6       7.4826      0.00001
      7       8.0573      0.00000
      8       9.4652      0.00000
      9      10.9509      0.00000
     10      11.2497      0.00000
     11      12.3625      0.00000
     12      12.4817      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8588      2.00000
      2       0.7146      2.00000
      3       5.1027      1.99998
      4       5.1080      1.99998
      5       6.3896      0.41978
      6       7.2202      0.00013
      7       8.4832      0.00000
      8       8.4920      0.00000
      9       9.6535      0.00000
     10      11.2265      0.00000
     11      12.0093      0.00000
     12      13.5461      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7582      2.00000
      3       4.4481      2.00000
      4       5.1516      1.99997
      5       6.6766      0.02968
      6       7.5869      0.00000
      7       8.0404      0.00000
      8       8.5315      0.00000
      9      10.1191      0.00000
     10      11.3383      0.00000
     11      12.1134      0.00000
     12      12.3853      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6590      2.00000
      2       0.8853      2.00000
      3       3.4325      2.00000
      4       5.2980      1.99986
      5       6.4570      0.23864
      6       7.4672      0.00001
      7       8.6753      0.00000
      8       8.8248      0.00000
      9      10.6508      0.00000
     10      11.2457      0.00000
     11      11.4918      0.00000
     12      12.5248      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0744      2.00000
      3       2.4700      2.00000
      4       5.5406      1.99845
      5       5.7125      1.99141
      6       7.5413      0.00001
      7       8.9087      0.00000
      8      10.0143      0.00000
      9      10.2111      0.00000
     10      11.0946      0.00000
     11      11.4298      0.00000
     12      12.6270      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0757      2.00000
      2       1.1359      2.00000
      3       1.7985      2.00000
      4       4.9126      2.00000
      5       5.8757      1.95681
      6       7.7987      0.00000
      7       9.1179      0.00000
      8       9.3945      0.00000
      9      10.4713      0.00000
     10      11.3180      0.00000
     11      11.9577      0.00000
     12      12.7740      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6694      2.00000
      2       0.5815      2.00000
      3       1.9135      2.00000
      4       4.2068      2.00000
      5       6.2906      0.83398
      6       8.1244      0.00000
      7       8.4284      0.00000
      8       9.6632      0.00000
      9      10.1317      0.00000
     10      11.5167      0.00000
     11      11.9903      0.00000
     12      12.4938      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2859      2.00000
      2       0.0349      2.00000
      3       2.1902      2.00000
      4       3.7191      2.00000
      5       6.7133      0.02066
      6       7.8116      0.00000
      7       8.4099      0.00000
      8       9.7658      0.00000
      9      10.0241      0.00000
     10      11.4220      0.00000
     11      11.6696      0.00000
     12      12.7866      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4695      2.00000
      2      -0.0624      2.00000
      3       5.5191      1.99875
      4       5.5240      1.99869
      5       6.8531      0.00514
      6       7.3440      0.00004
      7       7.6666      0.00000
      8       7.6798      0.00000
      9       8.8364      0.00000
     10      11.4219      0.00000
     11      13.1286      0.00000
     12      13.8913      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0186      2.00000
      3       4.8524      2.00000
      4       5.5679      1.99797
      5       6.7500      0.01436
      6       7.4487      0.00001
      7       7.7154      0.00000
      8       7.8929      0.00000
      9       9.3451      0.00000
     10      11.6134      0.00000
     11      12.7655      0.00000
     12      13.0837      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2662      2.00000
      2       0.1112      2.00000
      3       3.8169      2.00000
      4       5.7140      1.99128
      5       5.9149      1.93678
      6       7.5777      0.00000
      7       7.8610      0.00000
      8       8.9596      0.00000
      9      10.1202      0.00000
     10      11.6304      0.00000
     11      12.2040      0.00000
     12      12.8443      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0147      2.00000
      2       0.3193      2.00000
      3       2.8146      2.00000
      4       5.0250      1.99999
      5       5.9561      1.90600
      6       7.8081      0.00000
      7       8.1006      0.00000
      8       9.7726      0.00000
      9      10.5944      0.00000
     10      11.1228      0.00000
     11      12.1652      0.00000
     12      12.9246      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6697      2.00000
      2       0.5796      2.00000
      3       1.9160      2.00000
      4       4.2070      2.00000
      5       6.2907      0.83325
      6       8.1237      0.00000
      7       8.4250      0.00000
      8       9.6668      0.00000
      9      10.1333      0.00000
     10      11.5164      0.00000
     11      11.9905      0.00000
     12      12.4996      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2484      2.00000
      2       0.7157      2.00000
      3       1.2954      2.00000
      4       3.5183      2.00000
      5       6.7055      0.02231
      6       8.5001      0.00000
      7       8.7247      0.00000
      8       8.9489      0.00000
      9      10.1847      0.00000
     10      11.0397      0.00000
     11      11.1898      0.00000
     12      13.5125      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8342      2.00000
      2       0.3269      2.00000
      3       1.3423      2.00000
      4       3.0675      2.00000
      5       7.1305      0.00032
      6       8.2042      0.00000
      7       8.8476      0.00000
      8       9.2121      0.00000
      9       9.9467      0.00000
     10      10.6197      0.00000
     11      10.8993      0.00000
     12      13.4367      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1186      2.00000
      2      -0.6080      2.00000
      3       5.9447      1.91573
      4       5.9483      1.91277
      5       7.0402      0.00079
      6       7.0408      0.00079
      7       7.4134      0.00002
      8       7.4228      0.00002
      9       8.1035      0.00000
     10      11.2690      0.00000
     11      14.1645      0.00000
     12      14.5262      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5654      2.00000
      3       5.2530      1.99991
      4       5.9932      1.86656
      5       6.3377      0.61731
      6       7.0899      0.00048
      7       7.6126      0.00000
      8       8.1214      0.00000
      9       8.6769      0.00000
     10      11.4408      0.00000
     11      13.1101      0.00000
     12      14.1392      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4389      2.00000
      3       4.1857      2.00000
      4       5.4048      1.99960
      5       6.1387      1.53134
      6       7.2366      0.00011
      7       7.7948      0.00000
      8       8.9630      0.00000
      9       9.8313      0.00000
     10      11.9824      0.00000
     11      11.9851      0.00000
     12      13.4134      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6476      2.00000
      2      -0.2345      2.00000
      3       3.1482      2.00000
      4       4.5151      2.00000
      5       6.3800      0.45273
      6       7.4783      0.00001
      7       8.0552      0.00000
      8       9.4692      0.00000
      9      10.9551      0.00000
     10      11.2560      0.00000
     11      12.3628      0.00000
     12      12.4823      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2862      2.00000
      2       0.0330      2.00000
      3       2.1930      2.00000
      4       3.7194      2.00000
      5       6.7143      0.02046
      6       7.8073      0.00000
      7       8.4082      0.00000
      8       9.7685      0.00000
      9      10.0281      0.00000
     10      11.4219      0.00000
     11      11.6701      0.00000
     12      12.7935      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8343      2.00000
      2       0.3252      2.00000
      3       1.3443      2.00000
      4       3.0676      2.00000
      5       7.1313      0.00032
      6       8.2000      0.00000
      7       8.8464      0.00000
      8       9.2160      0.00000
      9       9.9486      0.00000
     10      10.6194      0.00000
     11      10.8990      0.00000
     12      13.4351      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3495      2.00000
      2       0.5047      2.00000
      3       0.7065      2.00000
      4       2.6610      2.00000
      5       7.5689      0.00000
      6       8.5280      0.00000
      7       8.6113      0.00000
      8       9.3174      0.00000
      9      10.0081      0.00000
     10      10.0557      0.00000
     11      10.2879      0.00000
     12      13.3312      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6438      2.00000
      3       3.8795      2.00000
      4       4.5795      2.00000
      5       6.1459      1.50468
      6       7.1327      0.00031
      7       8.6170      0.00000
      8       9.8253      0.00000
      9      10.5032      0.00000
     10      11.7943      0.00000
     11      11.8425      0.00000
     12      12.8796      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6797      2.00000
      3       3.7665      2.00000
      4       4.1254      2.00000
      5       6.7045      0.02255
      6       7.3004      0.00006
      7       8.6616      0.00000
      8       9.6980      0.00000
      9      10.0557      0.00000
     10      11.1934      0.00000
     11      12.2586      0.00000
     12      13.2255      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6334      2.00000
      3       3.0700      2.00000
      4       4.1443      2.00000
      5       7.0868      0.00050
      6       8.0889      0.00000
      7       8.7027      0.00000
      8       9.0990      0.00000
      9       9.8202      0.00000
     10      10.4908      0.00000
     11      12.4848      0.00000
     12      13.1058      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8178      2.00000
      3       3.1477      2.00000
      4       4.3602      2.00000
      5       7.1864      0.00018
      6       8.0210      0.00000
      7       8.4998      0.00000
      8       9.1914      0.00000
      9       9.9028      0.00000
     10      10.6021      0.00000
     11      11.9390      0.00000
     12      13.1297      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9331      2.00000
      3       3.4592      2.00000
      4       4.6639      2.00000
      5       6.7388      0.01604
      6       7.8615      0.00000
      7       8.0763      0.00000
      8       9.1136      0.00000
      9      10.5286      0.00000
     10      11.1440      0.00000
     11      11.7101      0.00000
     12      12.8246      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       0.1584      2.00000
      3       3.8512      2.00000
      4       5.0214      1.99999
      5       6.0483      1.77946
      6       7.3004      0.00006
      7       8.2574      0.00000
      8       9.2719      0.00000
      9      10.4506      0.00000
     10      10.9435      0.00000
     11      12.3352      0.00000
     12      13.1558      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8553      2.00000
      2      -0.3932      2.00000
      3       4.2284      2.00000
      4       5.2810      1.99988
      5       5.5679      1.99797
      6       6.8021      0.00855
      7       8.5621      0.00000
      8       9.4137      0.00000
      9       9.9424      0.00000
     10      11.2843      0.00000
     11      11.9801      0.00000
     12      13.0359      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6595      2.00000
      3       4.1138      2.00000
      4       4.8225      2.00000
      5       6.3899      0.41890
      6       7.4361      0.00002
      7       8.8208      0.00000
      8       9.4732      0.00000
      9       9.8980      0.00000
     10      10.9715      0.00000
     11      12.0646      0.00000
     12      12.5079      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0873      2.00000
      2       1.7015      2.00000
      3       4.0183      2.00000
      4       4.3388      2.00000
      5       6.9464      0.00203
      6       7.5967      0.00000
      7       8.6976      0.00000
      8       9.0951      0.00000
      9       9.9679      0.00000
     10      11.3750      0.00000
     11      11.4272      0.00000
     12      12.7741      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9389      2.00000
      2       1.8145      2.00000
      3       3.1515      2.00000
      4       4.3603      2.00000
      5       7.1858      0.00019
      6       8.0219      0.00000
      7       8.5043      0.00000
      8       9.1895      0.00000
      9       9.8994      0.00000
     10      10.6043      0.00000
     11      11.9342      0.00000
     12      13.1312      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8131      2.00000
      3       2.4037      2.00000
      4       4.5731      2.00000
      5       6.6593      0.03518
      6       7.9144      0.00000
      7       8.9564      0.00000
      8       9.4168      0.00000
      9       9.9121      0.00000
     10      10.6813      0.00000
     11      11.9760      0.00000
     12      12.8206      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3619      2.00000
      2       1.1244      2.00000
      3       2.5047      2.00000
      4       4.8510      2.00000
      5       5.9062      1.94188
      6       8.0925      0.00000
      7       8.3532      0.00000
      8       9.6001      0.00000
      9      10.3429      0.00000
     10      11.5356      0.00000
     11      11.7920      0.00000
     12      12.8187      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9633      2.00000
      2       0.3677      2.00000
      3       2.8547      2.00000
      4       4.9213      2.00000
      5       5.4884      1.99908
      6       7.5292      0.00001
      7       8.5228      0.00000
      8       9.9292      0.00000
      9      10.3434      0.00000
     10      11.2554      0.00000
     11      12.3439      0.00000
     12      12.8026      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5946      2.00000
      2      -0.1878      2.00000
      3       3.1938      2.00000
      4       4.5149      2.00000
      5       5.7226      1.99050
      6       6.9991      0.00120
      7       8.8226      0.00000
      8       9.9917      0.00000
      9      10.3160      0.00000
     10      11.2912      0.00000
     11      11.8066      0.00000
     12      13.0891      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7581      2.00000
      3       4.4428      2.00000
      4       5.1583      1.99997
      5       6.6783      0.02920
      6       7.5834      0.00000
      7       8.0342      0.00000
      8       8.5408      0.00000
      9      10.1178      0.00000
     10      11.3382      0.00000
     11      12.1076      0.00000
     12      12.3921      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7586      2.00000
      2       0.8020      2.00000
      3       4.3681      2.00000
      4       4.6365      2.00000
      5       7.2144      0.00014
      6       7.6057      0.00000
      7       7.8499      0.00000
      8       8.4810      0.00000
      9      10.5657      0.00000
     10      11.3327      0.00000
     11      11.6484      0.00000
     12      12.4220      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6088      2.00000
      2       0.9302      2.00000
      3       3.4632      2.00000
      4       4.6639      2.00000
      5       6.7386      0.01608
      6       7.8600      0.00000
      7       8.0784      0.00000
      8       9.1173      0.00000
      9      10.5310      0.00000
     10      11.1505      0.00000
     11      11.6953      0.00000
     12      12.8223      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1218      2.00000
      3       2.5078      2.00000
      4       4.8509      2.00000
      5       5.9064      1.94178
      6       8.0910      0.00000
      7       8.3527      0.00000
      8       9.6026      0.00000
      9      10.3481      0.00000
     10      11.5398      0.00000
     11      11.7810      0.00000
     12      12.8234      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0251      2.00000
      2       1.1881      2.00000
      3       1.8359      2.00000
      4       4.8112      2.00000
      5       5.4341      1.99947
      6       8.3994      0.00000
      7       8.4307      0.00000
      8       8.9543      0.00000
      9      11.1884      0.00000
     10      11.8072      0.00000
     11      12.0680      0.00000
     12      12.1251      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6184      2.00000
      2       0.6301      2.00000
      3       1.9580      2.00000
      4       4.2140      2.00000
      5       5.7009      1.99234
      6       7.8217      0.00000
      7       8.8206      0.00000
      8       9.0841      0.00000
      9      10.8214      0.00000
     10      11.4636      0.00000
     11      12.1830      0.00000
     12      12.6121      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2337      2.00000
      2       0.0815      2.00000
      3       2.2403      2.00000
      4       3.7366      2.00000
      5       6.0540      1.76788
      6       7.2810      0.00007
      7       9.1589      0.00000
      8       9.3703      0.00000
      9      10.3108      0.00000
     10      11.0840      0.00000
     11      12.4046      0.00000
     12      12.8554      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0186      2.00000
      3       4.8472      2.00000
      4       5.5742      1.99784
      5       6.7485      0.01457
      6       7.4446      0.00001
      7       7.7270      0.00000
      8       7.8889      0.00000
      9       9.3427      0.00000
     10      11.6120      0.00000
     11      12.7666      0.00000
     12      13.0841      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3675      2.00000
      2       0.0255      2.00000
      3       4.8084      2.00000
      4       4.9874      1.99999
      5       6.8202      0.00714
      6       7.2150      0.00014
      7       7.8667      0.00000
      8       8.3029      0.00000
      9       9.7576      0.00000
     10      11.6872      0.00000
     11      12.0900      0.00000
     12      13.2288      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2152      2.00000
      2       0.1560      2.00000
      3       3.8553      2.00000
      4       5.0214      1.99999
      5       6.0483      1.77941
      6       7.2989      0.00006
      7       8.2577      0.00000
      8       9.2773      0.00000
      9      10.4527      0.00000
     10      10.9462      0.00000
     11      12.3333      0.00000
     12      13.1482      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       0.3654      2.00000
      3       2.8580      2.00000
      4       4.9218      2.00000
      5       5.4882      1.99908
      6       7.5271      0.00001
      7       8.5225      0.00000
      8       9.9327      0.00000
      9      10.3466      0.00000
     10      11.2579      0.00000
     11      12.3454      0.00000
     12      12.8018      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6186      2.00000
      2       0.6281      2.00000
      3       1.9605      2.00000
      4       4.2142      2.00000
      5       5.7008      1.99236
      6       7.8195      0.00000
      7       8.8212      0.00000
      8       9.0859      0.00000
      9      10.8206      0.00000
     10      11.4663      0.00000
     11      12.1815      0.00000
     12      12.6191      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.1971      2.00000
      2       0.7680      2.00000
      3       1.3396      2.00000
      4       3.5393      2.00000
      5       6.0839      1.69929
      6       8.0146      0.00000
      7       8.4361      0.00000
      8       9.2139      0.00000
      9      10.6950      0.00000
     10      10.9775      0.00000
     11      11.7560      0.00000
     12      13.9025      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7821      2.00000
      2       0.3763      2.00000
      3       1.3929      2.00000
      4       3.0891      2.00000
      5       6.4743      0.20450
      6       7.6019      0.00000
      7       8.5573      0.00000
      8       9.5802      0.00000
      9      10.1483      0.00000
     10      10.7909      0.00000
     11      11.6503      0.00000
     12      13.8538      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5654      2.00000
      3       5.2481      1.99992
      4       5.9984      1.86003
      5       6.3328      0.63848
      6       7.0973      0.00045
      7       7.6197      0.00000
      8       8.1167      0.00000
      9       8.6723      0.00000
     10      11.4398      0.00000
     11      13.1097      0.00000
     12      14.1423      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0134      2.00000
      2      -0.5225      2.00000
      3       5.2736      1.99989
      4       5.3143      1.99984
      5       6.1683      1.41663
      6       6.7922      0.00944
      7       8.3190      0.00000
      8       8.3855      0.00000
      9       9.0295      0.00000
     10      11.5643      0.00000
     11      12.3708      0.00000
     12      13.8884      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8561      2.00000
      2      -0.3954      2.00000
      3       4.2330      2.00000
      4       5.2826      1.99988
      5       5.5657      1.99801
      6       6.8010      0.00864
      7       8.5607      0.00000
      8       9.4205      0.00000
      9       9.9448      0.00000
     10      11.2876      0.00000
     11      11.9759      0.00000
     12      13.0413      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.5952      2.00000
      2      -0.1899      2.00000
      3       3.1974      2.00000
      4       4.5154      2.00000
      5       5.7221      1.99054
      6       6.9971      0.00122
      7       8.8212      0.00000
      8       9.9972      0.00000
      9      10.3158      0.00000
     10      11.2970      0.00000
     11      11.8072      0.00000
     12      13.0894      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2340      2.00000
      2       0.0795      2.00000
      3       2.2431      2.00000
      4       3.7369      2.00000
      5       6.0539      1.76817
      6       7.2788      0.00007
      7       9.1574      0.00000
      8       9.3749      0.00000
      9      10.3076      0.00000
     10      11.0879      0.00000
     11      12.4049      0.00000
     12      12.8629      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7822      2.00000
      2       0.3745      2.00000
      3       1.3949      2.00000
      4       3.0892      2.00000
      5       6.4744      0.20433
      6       7.5996      0.00000
      7       8.5598      0.00000
      8       9.5813      0.00000
      9      10.1430      0.00000
     10      10.7963      0.00000
     11      11.6495      0.00000
     12      13.8521      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.2975      2.00000
      2       0.5571      2.00000
      3       0.7575      2.00000
      4       2.6818      2.00000
      5       6.9189      0.00267
      6       7.8178      0.00000
      7       7.9636      0.00000
      8       9.7139      0.00000
      9      10.0872      0.00000
     10      10.8063      0.00000
     11      11.0584      0.00000
     12      13.7138      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7692      2.00000
      3       3.1255      2.00000
      4       4.9690      1.99999
      5       6.5679      0.08554
      6       7.9135      0.00000
      7       8.5949      0.00000
      8       9.6104      0.00000
      9      10.0254      0.00000
     10      10.9322      0.00000
     11      11.3341      0.00000
     12      12.6387      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8141      2.00000
      3       3.1479      2.00000
      4       4.3653      2.00000
      5       7.1875      0.00018
      6       8.0205      0.00000
      7       8.5012      0.00000
      8       9.1927      0.00000
      9       9.8993      0.00000
     10      10.6049      0.00000
     11      11.9370      0.00000
     12      13.1324      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7903      2.00000
      2       1.9387      2.00000
      3       3.0438      2.00000
      4       3.6111      2.00000
      5       7.6256      0.00000
      6       7.9993      0.00000
      7       8.6186      0.00000
      8       9.0846      0.00000
      9       9.3074      0.00000
     10      10.5950      0.00000
     11      12.7752      0.00000
     12      13.6455      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5455      2.00000
      2       1.9684      2.00000
      3       2.4551      2.00000
      4       3.6317      2.00000
      5       6.8640      0.00462
      6       7.9181      0.00000
      7       8.5389      0.00000
      8       9.0996      0.00000
      9      10.0723      0.00000
     10      10.9311      0.00000
     11      13.0618      0.00000
     12      13.0794      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2643      2.00000
      3       2.6050      2.00000
      4       3.8881      2.00000
      5       6.0120      1.84120
      6       7.3191      0.00005
      7       8.6475      0.00000
      8       9.4148      0.00000
      9      10.6290      0.00000
     10      11.8670      0.00000
     11      12.3463      0.00000
     12      12.6968      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8110      2.00000
      2       0.5045      2.00000
      3       2.9780      2.00000
      4       4.1972      2.00000
      5       5.2625      1.99990
      6       6.6657      0.03306
      7       8.9711      0.00000
      8       9.7737      0.00000
      9      10.8979      0.00000
     10      11.3872      0.00000
     11      12.0327      0.00000
     12      13.5829      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4380      2.00000
      2      -0.0552      2.00000
      3       3.3396      2.00000
      4       4.4057      2.00000
      5       4.7682      2.00000
      6       6.2229      1.16903
      7       9.2535      0.00000
      8      10.1326      0.00000
      9      10.8117      0.00000
     10      11.1098      0.00000
     11      11.5731      0.00000
     12      13.5006      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6592      2.00000
      2       0.8850      2.00000
      3       3.4284      2.00000
      4       5.3046      1.99985
      5       6.4558      0.24102
      6       7.4665      0.00001
      7       8.6844      0.00000
      8       8.8197      0.00000
      9      10.6498      0.00000
     10      11.2460      0.00000
     11      11.4923      0.00000
     12      12.5242      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9300      2.00000
      3       3.4592      2.00000
      4       4.6689      2.00000
      5       6.7361      0.01648
      6       7.8600      0.00000
      7       8.0856      0.00000
      8       9.1137      0.00000
      9      10.5317      0.00000
     10      11.1509      0.00000
     11      11.6956      0.00000
     12      12.8188      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4590      2.00000
      2       1.0618      2.00000
      3       3.4000      2.00000
      4       3.8514      2.00000
      5       6.7318      0.01721
      6       7.3090      0.00005
      7       8.9248      0.00000
      8       9.3971      0.00000
      9       9.6709      0.00000
     10      11.8287      0.00000
     11      12.0280      0.00000
     12      12.9237      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2120      2.00000
      2       1.2616      2.00000
      3       2.6080      2.00000
      4       3.8881      2.00000
      5       6.0117      1.84163
      6       7.3182      0.00005
      7       8.6497      0.00000
      8       9.4151      0.00000
      9      10.6344      0.00000
     10      11.8645      0.00000
     11      12.3475      0.00000
     12      12.6891      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       1.3444      2.00000
      3       1.9422      2.00000
      4       4.1189      2.00000
      5       5.2392      1.99992
      6       7.3390      0.00004
      7       8.0484      0.00000
      8       9.7309      0.00000
      9      11.2763      0.00000
     10      11.8873      0.00000
     11      12.5373      0.00000
     12      12.7945      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4658      2.00000
      2       0.7747      2.00000
      3       2.0891      2.00000
      4       4.1378      2.00000
      5       4.8455      2.00000
      6       6.8533      0.00513
      7       8.1216      0.00000
      8      10.0378      0.00000
      9      10.6852      0.00000
     10      11.9998      0.00000
     11      12.8464      0.00000
     12      13.3141      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0774      2.00000
      2       0.2199      2.00000
      3       2.3898      2.00000
      4       3.7751      2.00000
      5       5.0139      1.99999
      6       6.3866      0.42990
      7       8.3404      0.00000
      8      10.0568      0.00000
      9      10.5438      0.00000
     10      11.6768      0.00000
     11      13.0078      0.00000
     12      13.6643      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2663      2.00000
      2       0.1110      2.00000
      3       3.8126      2.00000
      4       5.7202      1.99073
      5       5.9115      1.93879
      6       7.5765      0.00000
      7       7.8743      0.00000
      8       8.9556      0.00000
      9      10.1163      0.00000
     10      11.6289      0.00000
     11      12.2044      0.00000
     12      12.8436      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2153      2.00000
      2       0.1558      2.00000
      3       3.8512      2.00000
      4       5.0260      1.99999
      5       6.0454      1.78504
      6       7.3033      0.00006
      7       8.2634      0.00000
      8       9.2732      0.00000
      9      10.4517      0.00000
     10      10.9459      0.00000
     11      12.3307      0.00000
     12      13.1471      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0630      2.00000
      2       0.2884      2.00000
      3       3.8507      2.00000
      4       4.1406      2.00000
      5       5.8988      1.94590
      6       6.6920      0.02550
      7       9.3597      0.00000
      8       9.6959      0.00000
      9       9.9411      0.00000
     10      11.2580      0.00000
     11      12.1503      0.00000
     12      12.9855      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8114      2.00000
      2       0.5021      2.00000
      3       2.9813      2.00000
      4       4.1971      2.00000
      5       5.2618      1.99990
      6       6.6653      0.03317
      7       8.9738      0.00000
      8       9.7736      0.00000
      9      10.9042      0.00000
     10      11.3846      0.00000
     11      12.0368      0.00000
     12      13.5805      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4660      2.00000
      2       0.7726      2.00000
      3       2.0916      2.00000
      4       4.1380      2.00000
      5       4.8449      2.00000
      6       6.8524      0.00518
      7       8.1234      0.00000
      8      10.0381      0.00000
      9      10.6841      0.00000
     10      12.0025      0.00000
     11      12.8515      0.00000
     12      13.3138      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0436      2.00000
      2       0.9248      2.00000
      3       1.4701      2.00000
      4       3.5894      2.00000
      5       5.0878      1.99998
      6       6.9434      0.00209
      7       7.5403      0.00001
      8       9.8478      0.00000
      9      10.6264      0.00000
     10      12.2759      0.00000
     11      12.9054      0.00000
     12      14.0776      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6262      2.00000
      2       0.5237      2.00000
      3       1.5440      2.00000
      4       3.1494      2.00000
      5       5.4296      1.99949
      6       6.6105      0.05672
      7       7.5315      0.00001
      8       9.4949      0.00000
      9      10.9396      0.00000
     10      11.9955      0.00000
     11      12.9253      0.00000
     12      14.5565      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9087      2.00000
      2      -0.4391      2.00000
      3       4.1815      2.00000
      4       5.4009      1.99962
      5       6.1437      1.51299
      6       7.2439      0.00010
      7       7.8025      0.00000
      8       8.9606      0.00000
      9       9.8237      0.00000
     10      11.9617      0.00000
     11      12.0018      0.00000
     12      13.3971      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8562      2.00000
      2      -0.3956      2.00000
      3       4.2288      2.00000
      4       5.2824      1.99988
      5       5.5674      1.99798
      6       6.8061      0.00822
      7       8.5677      0.00000
      8       9.4186      0.00000
      9       9.9388      0.00000
     10      11.2878      0.00000
     11      11.9730      0.00000
     12      13.0461      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.6990      2.00000
      2      -0.2665      2.00000
      3       4.3451      2.00000
      4       4.3875      2.00000
      5       5.1942      1.99995
      6       6.2924      0.82501
      7       9.8250      0.00000
      8       9.8926      0.00000
      9      10.2719      0.00000
     10      10.5577      0.00000
     11      11.5891      0.00000
     12      12.9212      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4385      2.00000
      2      -0.0574      2.00000
      3       3.3433      2.00000
      4       4.4072      2.00000
      5       4.7650      2.00000
      6       6.2233      1.16708
      7       9.2563      0.00000
      8      10.1336      0.00000
      9      10.8068      0.00000
     10      11.1164      0.00000
     11      11.5776      0.00000
     12      13.5044      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0776      2.00000
      2       0.2178      2.00000
      3       2.3927      2.00000
      4       3.7753      2.00000
      5       5.0127      1.99999
      6       6.3862      0.43109
      7       8.3425      0.00000
      8      10.0586      0.00000
      9      10.5397      0.00000
     10      11.6796      0.00000
     11      13.0155      0.00000
     12      13.6658      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6262      2.00000
      2       0.5217      2.00000
      3       1.5462      2.00000
      4       3.1494      2.00000
      5       5.4291      1.99949
      6       6.6099      0.05702
      7       7.5328      0.00001
      8       9.4951      0.00000
      9      10.9381      0.00000
     10      11.9971      0.00000
     11      12.9257      0.00000
     12      14.5631      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1416      2.00000
      2       0.7141      2.00000
      3       0.9100      2.00000
      4       2.7416      2.00000
      5       5.8752      1.95702
      6       6.7442      0.01521
      7       6.9306      0.00237
      8       9.1426      0.00000
      9      11.3837      0.00000
     10      12.1301      0.00000
     11      12.3504      0.00000
     12      14.6294      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4127      2.00000
      2       1.0735      2.00000
      3       2.4669      2.00000
      4       5.5471      1.99835
      5       5.7099      1.99163
      6       7.5427      0.00001
      7       8.9183      0.00000
      8      10.0113      0.00000
      9      10.2119      0.00000
     10      11.0935      0.00000
     11      11.4291      0.00000
     12      12.6280      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3624      2.00000
      2       1.1210      2.00000
      3       2.5049      2.00000
      4       4.8554      2.00000
      5       5.9043      1.94296
      6       8.0889      0.00000
      7       8.3650      0.00000
      8       9.6039      0.00000
      9      10.3436      0.00000
     10      11.5395      0.00000
     11      11.7815      0.00000
     12      12.8242      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2121      2.00000
      2       1.2611      2.00000
      3       2.6053      2.00000
      4       3.8917      2.00000
      5       6.0093      1.84512
      6       7.3211      0.00005
      7       8.6507      0.00000
      8       9.4213      0.00000
      9      10.6282      0.00000
     10      11.8637      0.00000
     11      12.3474      0.00000
     12      12.6944      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9643      2.00000
      2       1.4800      2.00000
      3       2.5862      2.00000
      4       3.1542      2.00000
      5       5.9539      1.90793
      6       6.5484      0.10301
      7       7.8202      0.00000
      8      10.6622      0.00000
      9      10.8579      0.00000
     10      11.3774      0.00000
     11      12.5396      0.00000
     12      13.5743      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6251      2.00000
      2       1.6039      2.00000
      3       2.0813      2.00000
      4       3.2279      2.00000
      5       5.3107      1.99984
      6       6.3079      0.75111
      7       7.2559      0.00009
      8      10.3469      0.00000
      9      11.2276      0.00000
     10      12.2143      0.00000
     11      13.0077      0.00000
     12      13.9538      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2137      2.00000
      2       1.0106      2.00000
      3       2.2943      2.00000
      4       3.5077      2.00000
      5       4.5849      2.00000
      6       5.9189      1.93427
      7       7.2065      0.00015
      8       9.7499      0.00000
      9      11.6140      0.00000
     10      12.7706      0.00000
     11      13.6189      0.00000
     12      14.2443      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8182      2.00000
      2       0.4458      2.00000
      3       2.6354      2.00000
      4       3.7116      2.00000
      5       4.0869      2.00000
      6       5.5495      1.99831
      7       7.3386      0.00004
      8       9.3710      0.00000
      9      11.9773      0.00000
     10      12.8724      0.00000
     11      13.3023      0.00000
     12      14.9003      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0150      2.00000
      2       0.3187      2.00000
      3       2.8112      2.00000
      4       5.0221      1.99999
      5       5.9622      1.90043
      6       7.8065      0.00000
      7       8.1146      0.00000
      8       9.7719      0.00000
      9      10.5955      0.00000
     10      11.1159      0.00000
     11      12.1669      0.00000
     12      12.9202      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       0.3648      2.00000
      3       2.8546      2.00000
      4       4.9211      2.00000
      5       5.4909      1.99906
      6       7.5315      0.00001
      7       8.5292      0.00000
      8       9.9341      0.00000
      9      10.3461      0.00000
     10      11.2520      0.00000
     11      12.3456      0.00000
     12      12.8066      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8116      2.00000
      2       0.5017      2.00000
      3       2.9781      2.00000
      4       4.2004      2.00000
      5       5.2601      1.99991
      6       6.6685      0.03215
      7       8.9744      0.00000
      8       9.7803      0.00000
      9      10.8989      0.00000
     10      11.3847      0.00000
     11      12.0383      0.00000
     12      13.5784      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5598      2.00000
      2       0.7232      2.00000
      3       3.0412      2.00000
      4       3.3947      2.00000
      5       5.1057      1.99998
      6       6.0292      1.81420
      7       8.0360      0.00000
      8      10.4489      0.00000
      9      11.0969      0.00000
     10      11.5126      0.00000
     11      12.9366      0.00000
     12      13.9331      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2138      2.00000
      2       1.0083      2.00000
      3       2.2969      2.00000
      4       3.5077      2.00000
      5       4.5839      2.00000
      6       5.9195      1.93390
      7       7.2074      0.00015
      8       9.7502      0.00000
      9      11.6137      0.00000
     10      12.7771      0.00000
     11      13.6229      0.00000
     12      14.2343      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7898      2.00000
      2       1.1852      2.00000
      3       1.6788      2.00000
      4       3.5569      2.00000
      5       4.2326      2.00000
      6       5.9071      1.94135
      7       6.6359      0.04427
      8       9.1724      0.00000
      9      12.0182      0.00000
     10      13.6296      0.00000
     11      14.2003      0.00000
     12      14.3562      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3676      2.00000
      2       0.7658      2.00000
      3       1.7937      2.00000
      4       3.2304      2.00000
      5       4.4140      2.00000
      6       5.6391      1.99587
      7       6.5261      0.12711
      8       8.8308      0.00000
      9      12.3986      0.00000
     10      13.3736      0.00000
     11      14.3268      0.00000
     12      14.8132      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6479      2.00000
      2      -0.2351      2.00000
      3       3.1446      2.00000
      4       4.5122      2.00000
      5       6.3849      0.43581
      6       7.4852      0.00001
      7       8.0631      0.00000
      8       9.4682      0.00000
      9      10.9556      0.00000
     10      11.2473      0.00000
     11      12.3496      0.00000
     12      12.4957      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.5955      2.00000
      2      -0.1904      2.00000
      3       3.1938      2.00000
      4       4.5128      2.00000
      5       5.7266      1.99011
      6       7.0027      0.00115
      7       8.8284      0.00000
      8       9.9979      0.00000
      9      10.3167      0.00000
     10      11.2884      0.00000
     11      11.8073      0.00000
     12      13.0946      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4386      2.00000
      2      -0.0577      2.00000
      3       3.3398      2.00000
      4       4.4073      2.00000
      5       4.7671      2.00000
      6       6.2263      1.15238
      7       9.2569      0.00000
      8      10.1410      0.00000
      9      10.8070      0.00000
     10      11.1159      0.00000
     11      11.5722      0.00000
     12      13.5034      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1785      2.00000
      2       0.1579      2.00000
      3       3.5492      2.00000
      4       3.6006      2.00000
      5       4.3908      2.00000
      6       5.6755      1.99406
      7       8.2596      0.00000
      8      10.0638      0.00000
      9      11.5924      0.00000
     10      11.6452      0.00000
     11      12.2890      0.00000
     12      14.0132      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4434      2.00000
      3       2.6386      2.00000
      4       3.7129      2.00000
      5       4.0833      2.00000
      6       5.5510      1.99829
      7       7.3398      0.00004
      8       9.3714      0.00000
      9      11.9761      0.00000
     10      12.8764      0.00000
     11      13.3082      0.00000
     12      14.9048      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3675      2.00000
      2       0.7635      2.00000
      3       1.7962      2.00000
      4       3.2304      2.00000
      5       4.4128      2.00000
      6       5.6399      1.99583
      7       6.5264      0.12673
      8       8.8310      0.00000
      9      12.3979      0.00000
     10      13.3742      0.00000
     11      14.3281      0.00000
     12      14.8209      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1170      2.00000
      2       0.9749      2.00000
      3       1.1620      2.00000
      4       2.8314      2.00000
      5       4.8512      2.00000
      6       5.7056      1.99197
      7       5.9176      1.93508
      8       8.5230      0.00000
      9      12.8450      0.00000
     10      13.5718      0.00000
     11      13.7783      0.00000
     12      15.8028      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6702      2.00000
      2       0.5784      2.00000
      3       1.9134      2.00000
      4       4.2049      2.00000
      5       6.2967      0.80457
      6       8.1203      0.00000
      7       8.4406      0.00000
      8       9.6678      0.00000
      9      10.1352      0.00000
     10      11.5200      0.00000
     11      11.9910      0.00000
     12      12.4958      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6191      2.00000
      2       0.6270      2.00000
      3       1.9579      2.00000
      4       4.2123      2.00000
      5       5.7054      1.99199
      6       7.8231      0.00000
      7       8.8280      0.00000
      8       9.0883      0.00000
      9      10.8220      0.00000
     10      11.4699      0.00000
     11      12.1860      0.00000
     12      12.6118      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4664      2.00000
      2       0.7716      2.00000
      3       2.0892      2.00000
      4       4.1378      2.00000
      5       4.8470      2.00000
      6       6.8557      0.00501
      7       8.1247      0.00000
      8      10.0440      0.00000
      9      10.6861      0.00000
     10      12.0057      0.00000
     11      12.8466      0.00000
     12      13.3169      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2141      2.00000
      2       1.0077      2.00000
      3       2.2948      2.00000
      4       3.5101      2.00000
      5       4.5829      2.00000
      6       5.9215      1.93260
      7       7.2081      0.00015
      8       9.7508      0.00000
      9      11.6213      0.00000
     10      12.7713      0.00000
     11      13.6260      0.00000
     12      14.2349      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8669      2.00000
      2       1.3194      2.00000
      3       2.4223      2.00000
      4       2.8169      2.00000
      5       4.4997      2.00000
      6       5.2025      1.99995
      7       6.4042      0.37333
      8       9.0730      0.00000
      9      12.9888      0.00000
     10      13.3112      0.00000
     11      14.6428      0.00000
     12      14.6730      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4398      2.00000
      2       1.5473      2.00000
      3       1.9390      2.00000
      4       2.9883      2.00000
      5       4.0277      2.00000
      6       4.9523      2.00000
      7       5.8215      1.97465
      8       8.5462      0.00000
      9      13.5350      0.00000
     10      14.5158      0.00000
     11      15.1145      0.00000
     12      15.2270      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0094      2.00000
      2       1.0947      2.00000
      3       2.1361      2.00000
      4       3.2167      2.00000
      5       3.5708      2.00000
      6       4.7723      2.00000
      7       5.6016      1.99716
      8       8.2497      0.00000
      9      13.9390      0.00000
     10      14.7579      0.00000
     11      15.1588      0.00000
     12      15.7463      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2867      2.00000
      2       0.0320      2.00000
      3       2.1898      2.00000
      4       3.7175      2.00000
      5       6.7190      0.01953
      6       7.8137      0.00000
      7       8.4161      0.00000
      8       9.7678      0.00000
      9      10.0298      0.00000
     10      11.4252      0.00000
     11      11.6750      0.00000
     12      12.7853      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2344      2.00000
      2       0.0786      2.00000
      3       2.2400      2.00000
      4       3.7351      2.00000
      5       6.0583      1.75901
      6       7.2841      0.00007
      7       9.1643      0.00000
      8       9.3767      0.00000
      9      10.3081      0.00000
     10      11.0926      0.00000
     11      12.4093      0.00000
     12      12.8541      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0780      2.00000
      2       0.2170      2.00000
      3       2.3897      2.00000
      4       3.7738      2.00000
      5       5.0165      1.99999
      6       6.3897      0.41952
      7       8.3436      0.00000
      8      10.0600      0.00000
      9      10.5470      0.00000
     10      11.6844      0.00000
     11      13.0060      0.00000
     12      13.6711      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8185      2.00000
      2       0.4429      2.00000
      3       2.6357      2.00000
      4       3.7133      2.00000
      5       4.0852      2.00000
      6       5.5528      1.99825
      7       7.3403      0.00004
      8       9.3721      0.00000
      9      11.9846      0.00000
     10      12.8787      0.00000
     11      13.3008      0.00000
     12      14.9040      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4591      2.00000
      2       0.7451      2.00000
      3       2.9351      2.00000
      4       3.0021      2.00000
      5       3.7820      2.00000
      6       4.9686      1.99999
      7       6.4166      0.33717
      8       8.7335      0.00000
      9      13.4607      0.00000
     10      13.5817      0.00000
     11      14.1468      0.00000
     12      15.4905      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0091      2.00000
      2       1.0919      2.00000
      3       2.1392      2.00000
      4       3.2178      2.00000
      5       3.5674      2.00000
      6       4.7751      2.00000
      7       5.6010      1.99718
      8       8.2499      0.00000
      9      13.9385      0.00000
     10      14.7597      0.00000
     11      15.1664      0.00000
     12      15.7487      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4758      2.00000
      2       1.3376      2.00000
      3       1.5082      2.00000
      4       2.9331      2.00000
      5       3.9096      2.00000
      6       4.7490      2.00000
      7       4.9852      1.99999
      8       7.9839      0.00000
      9      14.3840      0.00000
     10      15.0538      0.00000
     11      15.2625      0.00000
     12      16.3995      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8349      2.00000
      2       0.3235      2.00000
      3       1.3416      2.00000
      4       3.0667      2.00000
      5       7.1359      0.00030
      6       8.2055      0.00000
      7       8.8545      0.00000
      8       9.2179      0.00000
      9       9.9482      0.00000
     10      10.6258      0.00000
     11      10.9036      0.00000
     12      13.4408      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7828      2.00000
      2       0.3729      2.00000
      3       1.3922      2.00000
      4       3.0883      2.00000
      5       6.4787      0.19663
      6       7.6043      0.00000
      7       8.5617      0.00000
      8       9.5884      0.00000
      9      10.1441      0.00000
     10      10.8027      0.00000
     11      11.6541      0.00000
     12      13.8584      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6267      2.00000
      2       0.5203      2.00000
      3       1.5436      2.00000
      4       3.1487      2.00000
      5       5.4328      1.99947
      6       6.6131      0.05528
      7       7.5343      0.00001
      8       9.4971      0.00000
      9      10.9458      0.00000
     10      12.0033      0.00000
     11      12.9309      0.00000
     12      14.5552      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3679      2.00000
      2       0.7624      2.00000
      3       1.7937      2.00000
      4       3.2300      2.00000
      5       4.4158      2.00000
      6       5.6419      1.99575
      7       6.5273      0.12567
      8       8.8324      0.00000
      9      12.4064      0.00000
     10      13.3811      0.00000
     11      14.3334      0.00000
     12      14.8117      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0092      2.00000
      2       1.0911      2.00000
      3       2.1370      2.00000
      4       3.2186      2.00000
      5       3.5690      2.00000
      6       4.7760      2.00000
      7       5.6013      1.99717
      8       8.2506      0.00000
      9      13.9477      0.00000
     10      14.7652      0.00000
     11      15.1567      0.00000
     12      15.7557      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4403      2.00000
      2       1.4821      2.00000
      3       2.5198      2.00000
      4       2.5980      2.00000
      5       3.3740      2.00000
      6       4.1247      2.00000
      7       4.7854      2.00000
      8       7.8191      0.00000
      9      15.4032      0.00000
     10      15.6136      0.00000
     11      15.9935      0.00000
     12      16.8479      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9271      2.00000
      2       1.7962      2.00000
      3       1.9319      2.00000
      4       2.9384      2.00000
      5       3.1611      2.00000
      6       3.8910      2.00000
      7       4.1601      2.00000
      8       7.5869      0.00000
      9      15.9335      0.00000
     10      16.4665      0.00000
     11      16.7205      0.00000
     12      16.8088      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264   0.000   0.000  -0.000
  5.264  22.370   0.000   0.000  -0.000
  0.000   0.000  -0.285   0.000  -0.000
  0.000   0.000   0.000  -0.285  -0.000
 -0.000  -0.000  -0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.075  -0.022   0.000   0.000   0.007
 -0.022   0.000   0.000   0.000  -0.000
  0.000   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.007  -0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1745: real time    0.1746
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3435: real time    0.3435
    STRESS:  cpu time    4.1360: real time    4.1362
    FORCOR:  cpu time    0.0449: real time    0.0450
    FORHAR:  cpu time    0.0126: real time    0.0126
    MIXING:  cpu time    0.0051: real time    0.0051
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.36805   -72.35846   -72.31612     0.00000    -0.00000     0.00000
  Hartree     1.13077     1.13368     1.13646    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42282   -27.42278   -27.42408     0.00000    -0.00000     0.00000
  Local      -3.97172    -3.99510    -4.04344     0.00000    -0.00000     0.00000
  n-local    58.91455    58.91355    58.92959     0.25614     0.02318     0.18925
  augment    -3.03525    -3.03522    -3.03611    -0.00000     0.00000    -0.00000
  Kinetic    46.89691    46.88453    46.88413    -3.62003    -0.57654    -2.94431
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03116     0.00697     0.01719     0.00000     0.00000     0.00000
  in kB       0.76482     0.17101     0.42192     0.00000     0.00000     0.00000
  external pressure =        0.45 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.298E+00 0.615E-16 -.399E-15   -.282E+00 -.543E-15 0.203E-16   -.845E-01 -.218E-19 0.331E-19   -.326E-05 -.143E-05 -.119E-15
   -.101E+01 0.354E-13 -.646E-07   0.683E+00 0.350E-15 -.251E-15   0.524E+00 -.107E-18 0.642E-18   -.315E-03 0.111E-04 -.260E-14
   -.402E+00 0.199E-15 -.108E-12   0.444E+00 -.117E-14 -.216E-15   -.597E-01 0.386E-18 -.978E-20   0.610E-03 -.123E-04 0.845E-15
   0.104E+01 -.325E-14 -.394E-14   -.845E+00 0.130E-14 0.271E-15   -.312E+00 -.336E-18 -.600E-19   0.810E-04 0.111E-04 0.105E-14
 -----------------------------------------------------------------------------------------------
   -.676E-01 0.325E-13 -.646E-07   -.111E-15 -.674E-16 -.175E-15   0.673E-01 -.790E-19 0.605E-18   0.373E-03 0.837E-05 -.820E-15
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.068276      0.000000     -0.000000
      1.96274      2.01342      0.00000         0.198416     -0.000000      0.000000
      2.01274      0.00000      2.01342        -0.017281     -0.000000     -0.000000
      0.00000      2.01342      2.01342        -0.112859      0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000055      0.000008     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54874333 eV

  energy  without entropy=      -13.50869455  energy(sigma->0) =      -13.52871894
 
 d Force =-0.7492265E-05[-0.198E-01, 0.198E-01]  d Energy = 0.6873825E-07-0.756E-05
 d Force =-0.6938894E-17[-0.683E-01, 0.683E-01]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0540: real time    0.0540


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   9/ 13
  Displacement:        2/  2
  Total:              18/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.461538  0.000000 -0.153846      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.153846  0.000000 -0.307692      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.230769  0.000000 -0.307692      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.307692  0.000000 -0.307692      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.384615  0.000000 -0.307692      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.384615  0.000000 -0.384615      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.153846  0.000000 -0.461538      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.230769  0.000000 -0.461538      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.307692  0.000000 -0.461538      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.384615  0.000000 -0.461538      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
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  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.4023: real time    1.1031
    FEWALD:  cpu time    0.0029: real time    0.0029
    GENKIN:  cpu time    0.1029: real time    0.1029
    ORTHCH:  cpu time    2.0615: real time    2.0617
     LOOP+:  cpu time  127.1505: real time  127.9064


--------------------------------------- Iteration     20(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0470: real time    0.0477
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   21.3295: real time   21.3417
       DOS:  cpu time    0.0122: real time    0.0122
    CHARGE:  cpu time    0.1702: real time    0.1703
    MIXING:  cpu time    0.0029: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time   21.5650: real time   21.5780

 eigenvalue-minimisations  :  8280
 total energy-change (2. order) :-0.7702152E-04  (-0.5590679E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060596 magnetization 

 Broyden mixing:
  rms(total) = 0.15242E-01    rms(broyden)= 0.15241E-01
  rms(prec ) = 0.43688E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.39665043
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80178719
  PAW double counting   =       428.73277040     -327.38576753
  entropy T*S    EENTRO =        -0.04003833
  eigenvalues    EBANDS =        22.58296973
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54881349 eV

  energy without entropy =      -13.50877515  energy(sigma->0) =      -13.52879432


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0463: real time    0.0466
    SETDIJ:  cpu time    0.0030: real time    0.0030
     EDDAV:  cpu time   22.6469: real time   22.6536
       DOS:  cpu time    0.0179: real time    0.0179
    CHARGE:  cpu time    0.1742: real time    0.1742
    MIXING:  cpu time    0.0037: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time   22.8919: real time   22.8989

 eigenvalue-minimisations  : 10572
 total energy-change (2. order) :-0.4478143E-03  (-0.1550649E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060453 magnetization 

 Broyden mixing:
  rms(total) = 0.82342E-02    rms(broyden)= 0.82341E-02
  rms(prec ) = 0.22863E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9416
  0.9416

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.39846825
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80175266
  PAW double counting   =       429.00191256     -327.65488505
  entropy T*S    EENTRO =        -0.04004439
  eigenvalues    EBANDS =        22.58428663
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54926130 eV

  energy without entropy =      -13.50921691  energy(sigma->0) =      -13.52923911


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0522: real time    0.0526
    SETDIJ:  cpu time    0.0040: real time    0.0040
     EDDAV:  cpu time   24.0675: real time   24.0799
       DOS:  cpu time    0.0156: real time    0.0156
    CHARGE:  cpu time    0.1743: real time    0.1743
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   24.3180: real time   24.3308

 eigenvalue-minimisations  :  9560
 total energy-change (2. order) : 0.4000715E-03  (-0.1230034E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060354 magnetization 

 Broyden mixing:
  rms(total) = 0.35481E-02    rms(broyden)= 0.35481E-02
  rms(prec ) = 0.82979E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6568
  1.1071  2.2065

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.40077297
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80165899
  PAW double counting   =       428.57859559     -327.23160887
  entropy T*S    EENTRO =        -0.04004909
  eigenvalues    EBANDS =        22.58694324
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54886123 eV

  energy without entropy =      -13.50881214  energy(sigma->0) =      -13.52883669


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0520: real time    0.0527
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   24.8405: real time   24.8527
       DOS:  cpu time    0.0159: real time    0.0159
    CHARGE:  cpu time    0.1739: real time    0.1739
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   25.0904: real time   25.1033

 eigenvalue-minimisations  : 10308
 total energy-change (2. order) : 0.7212801E-04  (-0.1879069E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060275 magnetization 

 Broyden mixing:
  rms(total) = 0.16157E-02    rms(broyden)= 0.16157E-02
  rms(prec ) = 0.42636E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7737
  1.0230  1.5892  2.7090

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.40094157
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80166803
  PAW double counting   =       428.53029294     -327.18329680
  entropy T*S    EENTRO =        -0.04004916
  eigenvalues    EBANDS =        22.58718366
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54878910 eV

  energy without entropy =      -13.50873995  energy(sigma->0) =      -13.52876452


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0510: real time    0.0513
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   23.4960: real time   23.5029
       DOS:  cpu time    0.0144: real time    0.0144
    CHARGE:  cpu time    0.1729: real time    0.1729
    MIXING:  cpu time    0.0047: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time   23.7422: real time   23.7495

 eigenvalue-minimisations  :  9516
 total energy-change (2. order) : 0.3884241E-04  (-0.1160131E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060254 magnetization 

 Broyden mixing:
  rms(total) = 0.38549E-03    rms(broyden)= 0.38549E-03
  rms(prec ) = 0.85047E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6557
  2.8027  0.9691  1.5407  1.3102

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.40102257
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167285
  PAW double counting   =       428.67563503     -327.32863011
  entropy T*S    EENTRO =        -0.04004889
  eigenvalues    EBANDS =        22.58729927
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54875026 eV

  energy without entropy =      -13.50870137  energy(sigma->0) =      -13.52872581


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0568: real time    0.0573
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   25.2107: real time   25.2228
       DOS:  cpu time    0.0151: real time    0.0151
    --------------------------------------------
      LOOP:  cpu time   25.2858: real time   25.2983

 eigenvalue-minimisations  : 10404
 total energy-change (2. order) :-0.1970167E-06  (-0.1101001E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060254 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.40098056
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167258
  PAW double counting   =       428.71971266     -327.37270566
  entropy T*S    EENTRO =        -0.04004881
  eigenvalues    EBANDS =        22.58725463
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54875046 eV

  energy without entropy =      -13.50870165  energy(sigma->0) =      -13.52872605


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2475       2 -74.2394       3 -74.2386       4 -74.2402
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5664     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6247      2.00000
      2       4.3271      2.00000
      3       4.3274      2.00000
      4       4.3326      2.00000
      5       5.5480      1.99834
      6       5.5546      1.99822
      7       7.5999      0.00000
      8      12.4869      0.00000
      9      12.5081      0.00000
     10      12.5174      0.00000
     11      12.8144      0.00000
     12      12.8292      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6435      2.00000
      3       4.3761      2.00000
      4       4.3785      2.00000
      5       5.6016      1.99716
      6       6.1566      1.46391
      7       7.8007      0.00000
      8      11.5721      0.00000
      9      11.5774      0.00000
     10      12.1708      0.00000
     11      12.8549      0.00000
     12      12.9908      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4282      2.00000
      2       2.6149      2.00000
      3       4.5229      2.00000
      4       4.5253      2.00000
      5       5.7600      1.98621
      6       6.7582      0.01323
      7       8.5738      0.00000
      8      10.4564      0.00000
      9      10.4600      0.00000
     10      11.4069      0.00000
     11      12.8111      0.00000
     12      12.9987      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6214      2.00000
      3       4.7662      2.00000
      4       4.7687      2.00000
      5       6.0229      1.82447
      6       7.0415      0.00078
      7       9.4204      0.00000
      8       9.4223      0.00000
      9       9.8459      0.00000
     10      10.5265      0.00000
     11      12.3281      0.00000
     12      13.2313      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8583      2.00000
      2       0.7171      2.00000
      3       5.1024      1.99998
      4       5.1049      1.99998
      5       6.3885      0.42346
      6       7.2156      0.00014
      7       8.4855      0.00000
      8       8.4884      0.00000
      9       9.6535      0.00000
     10      11.2329      0.00000
     11      12.0134      0.00000
     12      13.5406      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4687      2.00000
      2      -0.0604      2.00000
      3       5.5189      1.99876
      4       5.5216      1.99872
      5       6.8531      0.00514
      6       7.3400      0.00004
      7       7.6687      0.00000
      8       7.6735      0.00000
      9       8.8359      0.00000
     10      11.4224      0.00000
     11      13.1397      0.00000
     12      13.8878      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1175      2.00000
      2      -0.6064      2.00000
      3       5.9442      1.91613
      4       5.9475      1.91340
      5       7.0390      0.00080
      6       7.0430      0.00077
      7       7.4117      0.00002
      8       7.4141      0.00002
      9       8.1023      0.00000
     10      11.2696      0.00000
     11      14.1641      0.00000
     12      14.5250      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6402      2.00000
      3       4.3761      2.00000
      4       4.3815      2.00000
      5       5.6046      1.99707
      6       6.1558      1.46714
      7       7.7985      0.00000
      8      11.5689      0.00000
      9      11.5759      0.00000
     10      12.1744      0.00000
     11      12.8611      0.00000
     12      12.9903      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5627      2.00000
      3       3.8413      2.00000
      4       4.4251      2.00000
      5       5.9330      1.92467
      6       6.5063      0.15279
      7       7.9521      0.00000
      8      10.8403      0.00000
      9      11.4661      0.00000
     10      11.8648      0.00000
     11      12.3604      0.00000
     12      12.8501      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6472      2.00000
      3       3.8816      2.00000
      4       4.5719      2.00000
      5       6.1445      1.50996
      6       7.1311      0.00032
      7       8.6221      0.00000
      8       9.8319      0.00000
      9      10.4967      0.00000
     10      11.7940      0.00000
     11      11.8406      0.00000
     12      12.8802      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6625      2.00000
      3       4.1159      2.00000
      4       4.8151      2.00000
      5       6.3888      0.42251
      6       7.4326      0.00002
      7       8.8255      0.00000
      8       9.4673      0.00000
      9       9.9062      0.00000
     10      10.9719      0.00000
     11      12.0646      0.00000
     12      12.5047      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7606      2.00000
      3       4.4452      2.00000
      4       5.1512      1.99997
      5       6.6777      0.02935
      6       7.5801      0.00000
      7       8.0379      0.00000
      8       8.5337      0.00000
      9      10.1184      0.00000
     10      11.3457      0.00000
     11      12.1158      0.00000
     12      12.3822      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4178      2.00000
      2      -0.0166      2.00000
      3       4.8499      2.00000
      4       5.5676      1.99798
      5       6.7503      0.01432
      6       7.4466      0.00001
      7       7.7174      0.00000
      8       7.8863      0.00000
      9       9.3430      0.00000
     10      11.6137      0.00000
     11      12.7630      0.00000
     12      13.0935      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0650      2.00000
      2      -0.5637      2.00000
      3       5.2512      1.99991
      4       5.9927      1.86729
      5       6.3354      0.62737
      6       7.0921      0.00047
      7       7.6134      0.00000
      8       8.1158      0.00000
      9       8.6722      0.00000
     10      11.4412      0.00000
     11      13.1086      0.00000
     12      14.1431      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6119      2.00000
      3       4.5227      2.00000
      4       4.5282      2.00000
      5       5.7629      1.98581
      6       6.7616      0.01280
      7       8.5661      0.00000
      8      10.4539      0.00000
      9      10.4592      0.00000
     10      11.4113      0.00000
     11      12.8135      0.00000
     12      13.0044      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6444      2.00000
      3       3.8846      2.00000
      4       4.5717      2.00000
      5       6.1453      1.50714
      6       7.1358      0.00031
      7       8.6151      0.00000
      8       9.8323      0.00000
      9      10.4943      0.00000
     10      11.7964      0.00000
     11      11.8438      0.00000
     12      12.8799      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5808      2.00000
      3       3.0733      2.00000
      4       4.7184      2.00000
      5       6.4082      0.36135
      6       8.0476      0.00000
      7       8.6500      0.00000
      8       9.1626      0.00000
      9      10.4885      0.00000
     10      10.8512      0.00000
     11      11.8456      0.00000
     12      12.6346      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7720      2.00000
      3       3.1273      2.00000
      4       4.9615      2.00000
      5       6.5669      0.08638
      6       7.9150      0.00000
      7       8.5942      0.00000
      8       9.6035      0.00000
      9      10.0336      0.00000
     10      10.9306      0.00000
     11      11.3322      0.00000
     12      12.6390      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6587      2.00000
      2       0.8875      2.00000
      3       3.4302      2.00000
      4       5.2974      1.99986
      5       6.4571      0.23829
      6       7.4664      0.00001
      7       8.6773      0.00000
      8       8.8173      0.00000
      9      10.6499      0.00000
     10      11.2437      0.00000
     11      11.5007      0.00000
     12      12.5248      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2656      2.00000
      2       0.1131      2.00000
      3       3.8148      2.00000
      4       5.7135      1.99132
      5       5.9137      1.93749
      6       7.5783      0.00000
      7       7.8629      0.00000
      8       8.9535      0.00000
      9      10.1158      0.00000
     10      11.6288      0.00000
     11      12.2047      0.00000
     12      12.8493      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9078      2.00000
      2      -0.4373      2.00000
      3       4.1842      2.00000
      4       5.4027      1.99961
      5       6.1378      1.53440
      6       7.2388      0.00011
      7       7.7962      0.00000
      8       8.9600      0.00000
      9       9.8222      0.00000
     10      11.9830      0.00000
     11      11.9844      0.00000
     12      13.3990      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6189      2.00000
      3       4.7656      2.00000
      4       4.7713      2.00000
      5       6.0256      1.82015
      6       7.0465      0.00075
      7       9.4187      0.00000
      8       9.4235      0.00000
      9       9.8265      0.00000
     10      10.5394      0.00000
     11      12.3310      0.00000
     12      13.2377      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6602      2.00000
      3       4.1188      2.00000
      4       4.8146      2.00000
      5       6.3893      0.42068
      6       7.4399      0.00001
      7       8.8240      0.00000
      8       9.4657      0.00000
      9       9.8946      0.00000
     10      10.9788      0.00000
     11      12.0676      0.00000
     12      12.5080      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7700      2.00000
      3       3.1297      2.00000
      4       4.9612      2.00000
      5       6.5669      0.08633
      6       7.9171      0.00000
      7       8.5983      0.00000
      8       9.6021      0.00000
      9      10.0245      0.00000
     10      10.9326      0.00000
     11      11.3360      0.00000
     12      12.6390      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7447      2.00000
      2       1.7599      2.00000
      3       2.3779      2.00000
      4       5.2041      1.99995
      5       6.3584      0.53271
      6       7.4618      0.00001
      7       9.7033      0.00000
      8       9.7346      0.00000
      9      10.0274      0.00000
     10      10.3562      0.00000
     11      11.2957      0.00000
     12      12.4490      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4123      2.00000
      2       1.0759      2.00000
      3       2.4689      2.00000
      4       5.5397      1.99847
      5       5.7123      1.99143
      6       7.5414      0.00001
      7       8.9100      0.00000
      8      10.0070      0.00000
      9      10.2104      0.00000
     10      11.0880      0.00000
     11      11.4418      0.00000
     12      12.6303      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3209      2.00000
      3       2.8134      2.00000
      4       5.0240      1.99999
      5       5.9552      1.90681
      6       7.8089      0.00000
      7       8.1023      0.00000
      8       9.7698      0.00000
      9      10.5938      0.00000
     10      11.1095      0.00000
     11      12.1752      0.00000
     12      12.9231      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6471      2.00000
      2      -0.2331      2.00000
      3       3.1474      2.00000
      4       4.5135      2.00000
      5       6.3786      0.45756
      6       7.4804      0.00001
      7       8.0567      0.00000
      8       9.4673      0.00000
      9      10.9555      0.00000
     10      11.2379      0.00000
     11      12.3601      0.00000
     12      12.4942      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7152      2.00000
      3       5.1013      1.99998
      4       5.1071      1.99998
      5       6.3909      0.41551
      6       7.2212      0.00013
      7       8.4848      0.00000
      8       8.4892      0.00000
      9       9.6510      0.00000
     10      11.2315      0.00000
     11      12.0142      0.00000
     12      13.5462      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       0.7588      2.00000
      3       4.4477      2.00000
      4       5.1502      1.99997
      5       6.6780      0.02926
      6       7.5886      0.00000
      7       8.0366      0.00000
      8       8.5331      0.00000
      9      10.1155      0.00000
     10      11.3444      0.00000
     11      12.1180      0.00000
     12      12.3847      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6592      2.00000
      2       0.8858      2.00000
      3       3.4325      2.00000
      4       5.2966      1.99987
      5       6.4581      0.23616
      6       7.4667      0.00001
      7       8.6768      0.00000
      8       8.8230      0.00000
      9      10.6466      0.00000
     10      11.2452      0.00000
     11      11.4987      0.00000
     12      12.5287      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4126      2.00000
      2       1.0745      2.00000
      3       2.4705      2.00000
      4       5.5392      1.99848
      5       5.7129      1.99137
      6       7.5412      0.00001
      7       8.9098      0.00000
      8      10.0106      0.00000
      9      10.2110      0.00000
     10      11.0939      0.00000
     11      11.4334      0.00000
     12      12.6294      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0759      2.00000
      2       1.1345      2.00000
      3       1.8009      2.00000
      4       4.9127      2.00000
      5       5.8743      1.95741
      6       7.7987      0.00000
      7       9.1138      0.00000
      8       9.4000      0.00000
      9      10.4683      0.00000
     10      11.3153      0.00000
     11      11.9624      0.00000
     12      12.7766      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6697      2.00000
      2       0.5804      2.00000
      3       1.9160      2.00000
      4       4.2065      2.00000
      5       6.2892      0.84080
      6       8.1242      0.00000
      7       8.4261      0.00000
      8       9.6678      0.00000
      9      10.1320      0.00000
     10      11.5068      0.00000
     11      11.9892      0.00000
     12      12.5051      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2863      2.00000
      2       0.0342      2.00000
      3       2.1931      2.00000
      4       3.7183      2.00000
      5       6.7120      0.02094
      6       7.8095      0.00000
      7       8.4094      0.00000
      8       9.7670      0.00000
      9      10.0299      0.00000
     10      11.4192      0.00000
     11      11.6572      0.00000
     12      12.8010      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4698      2.00000
      2      -0.0617      2.00000
      3       5.5168      1.99878
      4       5.5230      1.99870
      5       6.8555      0.00502
      6       7.3470      0.00004
      7       7.6692      0.00000
      8       7.6732      0.00000
      9       8.8368      0.00000
     10      11.4261      0.00000
     11      13.1321      0.00000
     12      13.8918      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8518      2.00000
      4       5.5656      1.99802
      5       6.7528      0.01397
      6       7.4474      0.00001
      7       7.7180      0.00000
      8       7.8903      0.00000
      9       9.3450      0.00000
     10      11.6180      0.00000
     11      12.7646      0.00000
     12      13.0862      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2665      2.00000
      2       0.1120      2.00000
      3       3.8166      2.00000
      4       5.7116      1.99148
      5       5.9158      1.93618
      6       7.5776      0.00000
      7       7.8637      0.00000
      8       8.9568      0.00000
      9      10.1206      0.00000
     10      11.6294      0.00000
     11      12.2100      0.00000
     12      12.8435      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0151      2.00000
      2       0.3200      2.00000
      3       2.8147      2.00000
      4       5.0254      1.99999
      5       5.9537      1.90816
      6       7.8083      0.00000
      7       8.1034      0.00000
      8       9.7693      0.00000
      9      10.5935      0.00000
     10      11.1241      0.00000
     11      12.1648      0.00000
     12      12.9253      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6702      2.00000
      2       0.5799      2.00000
      3       1.9167      2.00000
      4       4.2072      2.00000
      5       6.2882      0.84562
      6       8.1239      0.00000
      7       8.4277      0.00000
      8       9.6665      0.00000
      9      10.1306      0.00000
     10      11.5158      0.00000
     11      11.9904      0.00000
     12      12.5006      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2490      2.00000
      2       0.7143      2.00000
      3       1.2985      2.00000
      4       3.5181      2.00000
      5       6.7028      0.02292
      6       8.5001      0.00000
      7       8.7208      0.00000
      8       8.9565      0.00000
      9      10.1836      0.00000
     10      11.0374      0.00000
     11      11.1887      0.00000
     12      13.5188      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8352      2.00000
      2       0.3259      2.00000
      3       1.3458      2.00000
      4       3.0668      2.00000
      5       7.1271      0.00033
      6       8.2022      0.00000
      7       8.8473      0.00000
      8       9.2204      0.00000
      9       9.9473      0.00000
     10      10.6164      0.00000
     11      10.8954      0.00000
     12      13.4390      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1192      2.00000
      2      -0.6070      2.00000
      3       5.9399      1.91950
      4       5.9472      1.91370
      5       7.0458      0.00075
      6       7.0487      0.00073
      7       7.4051      0.00002
      8       7.4194      0.00002
      9       8.1064      0.00000
     10      11.2735      0.00000
     11      14.1663      0.00000
     12      14.5224      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5643      2.00000
      3       5.2519      1.99991
      4       5.9884      1.87243
      5       6.3398      0.60819
      6       7.0950      0.00046
      7       7.6124      0.00000
      8       8.1162      0.00000
      9       8.6797      0.00000
     10      11.4456      0.00000
     11      13.1087      0.00000
     12      14.1366      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9093      2.00000
      2      -0.4378      2.00000
      3       4.1851      2.00000
      4       5.4059      1.99960
      5       6.1338      1.54868
      6       7.2419      0.00011
      7       7.7952      0.00000
      8       8.9586      0.00000
      9       9.8329      0.00000
     10      11.9835      0.00000
     11      11.9882      0.00000
     12      13.4133      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6484      2.00000
      2      -0.2333      2.00000
      3       3.1480      2.00000
      4       4.5157      2.00000
      5       6.3749      0.47078
      6       7.4838      0.00001
      7       8.0558      0.00000
      8       9.4660      0.00000
      9      10.9537      0.00000
     10      11.2561      0.00000
     11      12.3639      0.00000
     12      12.4786      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2873      2.00000
      2       0.0343      2.00000
      3       2.1933      2.00000
      4       3.7197      2.00000
      5       6.7088      0.02160
      6       7.8135      0.00000
      7       8.4087      0.00000
      8       9.7658      0.00000
      9      10.0271      0.00000
     10      11.4221      0.00000
     11      11.6691      0.00000
     12      12.7910      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8359      2.00000
      2       0.3265      2.00000
      3       1.3455      2.00000
      4       3.0674      2.00000
      5       7.1249      0.00034
      6       8.2071      0.00000
      7       8.8470      0.00000
      8       9.2163      0.00000
      9       9.9462      0.00000
     10      10.6181      0.00000
     11      10.8981      0.00000
     12      13.4382      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3526      2.00000
      2       0.5033      2.00000
      3       0.7122      2.00000
      4       2.6604      2.00000
      5       7.5598      0.00000
      6       8.5251      0.00000
      7       8.6269      0.00000
      8       9.3179      0.00000
      9      10.0072      0.00000
     10      10.0516      0.00000
     11      10.2857      0.00000
     12      13.3334      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5261      2.00000
      2       3.5615      2.00000
      3       3.8377      2.00000
      4       4.4305      2.00000
      5       5.9359      1.92256
      6       6.5041      0.15596
      7       7.9507      0.00000
      8      10.8355      0.00000
      9      11.4739      0.00000
     10      11.8621      0.00000
     11      12.3616      0.00000
     12      12.8501      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4767      2.00000
      2       3.5937      2.00000
      3       3.6348      2.00000
      4       4.0642      2.00000
      5       6.5333      0.11879
      6       6.5777      0.07783
      7       8.0762      0.00000
      8      10.7236      0.00000
      9      10.7726      0.00000
     10      11.3226      0.00000
     11      12.6517      0.00000
     12      13.3223      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3293      2.00000
      2       2.6829      2.00000
      3       3.7655      2.00000
      4       4.1227      2.00000
      5       6.7025      0.02298
      6       7.2982      0.00006
      7       8.6662      0.00000
      8       9.7003      0.00000
      9      10.0553      0.00000
     10      11.1898      0.00000
     11      12.2615      0.00000
     12      13.2361      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0871      2.00000
      2       1.7044      2.00000
      3       4.0175      2.00000
      4       4.3359      2.00000
      5       6.9451      0.00205
      6       7.5924      0.00000
      7       8.6979      0.00000
      8       9.0951      0.00000
      9       9.9754      0.00000
     10      11.3480      0.00000
     11      11.4535      0.00000
     12      12.7736      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7581      2.00000
      2       0.8045      2.00000
      3       4.3677      2.00000
      4       4.6337      2.00000
      5       7.2159      0.00014
      6       7.6007      0.00000
      7       7.8483      0.00000
      8       8.4791      0.00000
      9      10.5639      0.00000
     10      11.3398      0.00000
     11      11.6505      0.00000
     12      12.4224      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3668      2.00000
      2       0.0275      2.00000
      3       4.8087      2.00000
      4       4.9845      1.99999
      5       6.8223      0.00699
      6       7.2120      0.00014
      7       7.8637      0.00000
      8       8.2986      0.00000
      9       9.7561      0.00000
     10      11.6899      0.00000
     11      12.0881      0.00000
     12      13.2387      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0125      2.00000
      2      -0.5209      2.00000
      3       5.2778      1.99989
      4       5.3082      1.99985
      5       6.1690      1.41409
      6       6.7898      0.00967
      7       8.3151      0.00000
      8       8.3821      0.00000
      9       9.0277      0.00000
     10      11.5660      0.00000
     11      12.3713      0.00000
     12      13.8824      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6445      2.00000
      3       3.8797      2.00000
      4       4.5772      2.00000
      5       6.1480      1.49684
      6       7.1326      0.00032
      7       8.6149      0.00000
      8       9.8281      0.00000
      9      10.4999      0.00000
     10      11.7977      0.00000
     11      11.8427      0.00000
     12      12.8804      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6802      2.00000
      3       3.7672      2.00000
      4       4.1237      2.00000
      5       6.7059      0.02222
      6       7.3000      0.00006
      7       8.6593      0.00000
      8       9.7011      0.00000
      9      10.0537      0.00000
     10      11.1924      0.00000
     11      12.2628      0.00000
     12      13.2355      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6321      2.00000
      3       3.0720      2.00000
      4       4.1436      2.00000
      5       7.0877      0.00049
      6       8.0884      0.00000
      7       8.6986      0.00000
      8       9.1027      0.00000
      9       9.8189      0.00000
     10      10.4919      0.00000
     11      12.4855      0.00000
     12      13.1093      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8168      2.00000
      3       3.1496      2.00000
      4       4.3595      2.00000
      5       7.1867      0.00018
      6       8.0210      0.00000
      7       8.4981      0.00000
      8       9.1895      0.00000
      9       9.9041      0.00000
     10      10.6052      0.00000
     11      11.9364      0.00000
     12      13.1327      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9325      2.00000
      3       3.4611      2.00000
      4       4.6633      2.00000
      5       6.7384      0.01610
      6       7.8622      0.00000
      7       8.0753      0.00000
      8       9.1110      0.00000
      9      10.5291      0.00000
     10      11.1530      0.00000
     11      11.7028      0.00000
     12      12.8214      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       0.1578      2.00000
      3       3.8534      2.00000
      4       5.0210      1.99999
      5       6.0473      1.78140
      6       7.3000      0.00006
      7       8.2574      0.00000
      8       9.2702      0.00000
      9      10.4475      0.00000
     10      10.9496      0.00000
     11      12.3340      0.00000
     12      13.1522      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8553      2.00000
      2      -0.3938      2.00000
      3       4.2315      2.00000
      4       5.2816      1.99988
      5       5.5649      1.99803
      6       6.8017      0.00858
      7       8.5612      0.00000
      8       9.4166      0.00000
      9       9.9362      0.00000
     10      11.2903      0.00000
     11      11.9784      0.00000
     12      13.0342      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6602      2.00000
      3       4.1138      2.00000
      4       4.8202      2.00000
      5       6.3923      0.41092
      6       7.4358      0.00002
      7       8.8212      0.00000
      8       9.4705      0.00000
      9       9.8944      0.00000
     10      10.9790      0.00000
     11      12.0670      0.00000
     12      12.5069      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0874      2.00000
      2       1.7021      2.00000
      3       4.0190      2.00000
      4       4.3367      2.00000
      5       6.9485      0.00198
      6       7.5963      0.00000
      7       8.6957      0.00000
      8       9.0945      0.00000
      9       9.9670      0.00000
     10      11.3574      0.00000
     11      11.4502      0.00000
     12      12.7761      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8147      2.00000
      3       3.1519      2.00000
      4       4.3593      2.00000
      5       7.1872      0.00018
      6       8.0229      0.00000
      7       8.4999      0.00000
      8       9.1900      0.00000
      9       9.9010      0.00000
     10      10.6019      0.00000
     11      11.9394      0.00000
     12      13.1341      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6947      2.00000
      2       1.8118      2.00000
      3       2.4059      2.00000
      4       4.5723      2.00000
      5       6.6597      0.03505
      6       7.9143      0.00000
      7       8.9525      0.00000
      8       9.4202      0.00000
      9       9.9099      0.00000
     10      10.6826      0.00000
     11      11.9770      0.00000
     12      12.8234      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3620      2.00000
      2       1.1233      2.00000
      3       2.5068      2.00000
      4       4.8503      2.00000
      5       5.9059      1.94201
      6       8.0930      0.00000
      7       8.3508      0.00000
      8       9.6019      0.00000
      9      10.3406      0.00000
     10      11.5407      0.00000
     11      11.7884      0.00000
     12      12.8229      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9634      2.00000
      2       0.3670      2.00000
      3       2.8568      2.00000
      4       4.9212      2.00000
      5       5.4872      1.99909
      6       7.5284      0.00001
      7       8.5220      0.00000
      8       9.9310      0.00000
      9      10.3430      0.00000
     10      11.2526      0.00000
     11      12.3448      0.00000
     12      12.8083      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5947      2.00000
      2      -0.1885      2.00000
      3       3.1966      2.00000
      4       4.5141      2.00000
      5       5.7214      1.99061
      6       6.9983      0.00121
      7       8.8214      0.00000
      8       9.9961      0.00000
      9      10.3132      0.00000
     10      11.2888      0.00000
     11      11.8064      0.00000
     12      13.0903      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7588      2.00000
      3       4.4426      2.00000
      4       5.1560      1.99997
      5       6.6812      0.02836
      6       7.5826      0.00000
      7       8.0358      0.00000
      8       8.5375      0.00000
      9      10.1158      0.00000
     10      11.3430      0.00000
     11      12.1178      0.00000
     12      12.3843      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7587      2.00000
      2       0.8027      2.00000
      3       4.3688      2.00000
      4       4.6341      2.00000
      5       7.2201      0.00013
      6       7.6018      0.00000
      7       7.8482      0.00000
      8       8.4811      0.00000
      9      10.5612      0.00000
     10      11.3375      0.00000
     11      11.6520      0.00000
     12      12.4241      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9308      2.00000
      3       3.4632      2.00000
      4       4.6626      2.00000
      5       6.7400      0.01586
      6       7.8594      0.00000
      7       8.0777      0.00000
      8       9.1174      0.00000
      9      10.5313      0.00000
     10      11.1412      0.00000
     11      11.7072      0.00000
     12      12.8262      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3623      2.00000
      2       1.1220      2.00000
      3       2.5084      2.00000
      4       4.8500      2.00000
      5       5.9066      1.94165
      6       8.0905      0.00000
      7       8.3529      0.00000
      8       9.6032      0.00000
      9      10.3464      0.00000
     10      11.5277      0.00000
     11      11.7960      0.00000
     12      12.8233      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       1.1867      2.00000
      3       1.8383      2.00000
      4       4.8111      2.00000
      5       5.4330      1.99947
      6       8.4020      0.00000
      7       8.4254      0.00000
      8       8.9578      0.00000
      9      11.1831      0.00000
     10      11.8050      0.00000
     11      12.0785      0.00000
     12      12.1219      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6187      2.00000
      2       0.6290      2.00000
      3       1.9605      2.00000
      4       4.2138      2.00000
      5       5.6995      1.99245
      6       7.8203      0.00000
      7       8.8184      0.00000
      8       9.0890      0.00000
      9      10.8205      0.00000
     10      11.4625      0.00000
     11      12.1689      0.00000
     12      12.6301      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2340      2.00000
      2       0.0807      2.00000
      3       2.2432      2.00000
      4       3.7358      2.00000
      5       6.0524      1.77118
      6       7.2800      0.00007
      7       9.1541      0.00000
      8       9.3791      0.00000
      9      10.3083      0.00000
     10      11.0845      0.00000
     11      12.3811      0.00000
     12      12.8824      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8463      2.00000
      4       5.5718      1.99789
      5       6.7521      0.01406
      6       7.4481      0.00001
      7       7.7219      0.00000
      8       7.8877      0.00000
      9       9.3440      0.00000
     10      11.6168      0.00000
     11      12.7641      0.00000
     12      13.0867      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3678      2.00000
      2       0.0263      2.00000
      3       4.8093      2.00000
      4       4.9841      1.99999
      5       6.8252      0.00679
      6       7.2123      0.00014
      7       7.8648      0.00000
      8       8.3031      0.00000
      9       9.7579      0.00000
     10      11.6927      0.00000
     11      12.0878      0.00000
     12      13.2322      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2156      2.00000
      2       0.1568      2.00000
      3       3.8551      2.00000
      4       5.0198      1.99999
      5       6.0494      1.77726
      6       7.2992      0.00006
      7       8.2574      0.00000
      8       9.2762      0.00000
      9      10.4525      0.00000
     10      10.9459      0.00000
     11      12.3395      0.00000
     12      13.1486      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9641      2.00000
      2       0.3661      2.00000
      3       2.8581      2.00000
      4       4.9218      2.00000
      5       5.4869      1.99910
      6       7.5279      0.00001
      7       8.5226      0.00000
      8       9.9325      0.00000
      9      10.3440      0.00000
     10      11.2588      0.00000
     11      12.3478      0.00000
     12      12.8024      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6191      2.00000
      2       0.6285      2.00000
      3       1.9612      2.00000
      4       4.2144      2.00000
      5       5.6988      1.99250
      6       7.8203      0.00000
      7       8.8212      0.00000
      8       9.0865      0.00000
      9      10.8185      0.00000
     10      11.4658      0.00000
     11      12.1823      0.00000
     12      12.6191      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1977      2.00000
      2       0.7666      2.00000
      3       1.3427      2.00000
      4       3.5391      2.00000
      5       6.0816      1.70495
      6       8.0125      0.00000
      7       8.4401      0.00000
      8       9.2142      0.00000
      9      10.6949      0.00000
     10      10.9752      0.00000
     11      11.7546      0.00000
     12      13.9260      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7831      2.00000
      2       0.3753      2.00000
      3       1.3964      2.00000
      4       3.0884      2.00000
      5       6.4715      0.20978
      6       7.6005      0.00000
      7       8.5618      0.00000
      8       9.5822      0.00000
      9      10.1438      0.00000
     10      10.7924      0.00000
     11      11.6468      0.00000
     12      13.8560      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5643      2.00000
      3       5.2457      1.99992
      4       5.9957      1.86346
      5       6.3372      0.61930
      6       7.0978      0.00045
      7       7.6185      0.00000
      8       8.1132      0.00000
      9       8.6761      0.00000
     10      11.4447      0.00000
     11      13.1082      0.00000
     12      14.1393      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0141      2.00000
      2      -0.5214      2.00000
      3       5.2870      1.99988
      4       5.2962      1.99987
      5       6.1735      1.39519
      6       6.7910      0.00955
      7       8.3212      0.00000
      8       8.3797      0.00000
      9       9.0325      0.00000
     10      11.5697      0.00000
     11      12.3695      0.00000
     12      13.8867      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8568      2.00000
      2      -0.3942      2.00000
      3       4.2324      2.00000
      4       5.2810      1.99988
      5       5.5662      1.99800
      6       6.8024      0.00853
      7       8.5608      0.00000
      8       9.4168      0.00000
      9       9.9471      0.00000
     10      11.2861      0.00000
     11      11.9845      0.00000
     12      13.0378      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5961      2.00000
      2      -0.1886      2.00000
      3       3.1972      2.00000
      4       4.5160      2.00000
      5       5.7193      1.99080
      6       6.9994      0.00119
      7       8.8214      0.00000
      8       9.9954      0.00000
      9      10.3144      0.00000
     10      11.2961      0.00000
     11      11.8122      0.00000
     12      13.0869      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2351      2.00000
      2       0.0809      2.00000
      3       2.2434      2.00000
      4       3.7372      2.00000
      5       6.0505      1.77502
      6       7.2816      0.00007
      7       9.1577      0.00000
      8       9.3743      0.00000
      9      10.3074      0.00000
     10      11.0867      0.00000
     11      12.4042      0.00000
     12      12.8615      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7838      2.00000
      2       0.3759      2.00000
      3       1.3961      2.00000
      4       3.0890      2.00000
      5       6.4701      0.21230
      6       7.6027      0.00000
      7       8.5608      0.00000
      8       9.5813      0.00000
      9      10.1443      0.00000
     10      10.7923      0.00000
     11      11.6493      0.00000
     12      13.8548      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3005      2.00000
      2       0.5557      2.00000
      3       0.7632      2.00000
      4       2.6813      2.00000
      5       6.9123      0.00285
      6       7.8158      0.00000
      7       7.9729      0.00000
      8       9.7150      0.00000
      9      10.0847      0.00000
     10      10.8048      0.00000
     11      11.0576      0.00000
     12      13.7159      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2314      2.00000
      2       2.5798      2.00000
      3       3.0699      2.00000
      4       4.7238      2.00000
      5       6.4125      0.34896
      6       8.0437      0.00000
      7       8.6502      0.00000
      8       9.1573      0.00000
      9      10.4955      0.00000
     10      10.8489      0.00000
     11      11.8490      0.00000
     12      12.6349      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1818      2.00000
      2       2.6312      2.00000
      3       3.0689      2.00000
      4       4.1481      2.00000
      5       7.0921      0.00047
      6       8.0849      0.00000
      7       8.6990      0.00000
      8       9.0979      0.00000
      9       9.8223      0.00000
     10      10.4922      0.00000
     11      12.4879      0.00000
     12      13.1096      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0337      2.00000
      2       2.7651      2.00000
      3       2.8092      2.00000
      4       3.5481      2.00000
      5       8.1195      0.00000
      6       8.1996      0.00000
      7       8.8205      0.00000
      8       8.8529      0.00000
      9       8.8812      0.00000
     10      10.1772      0.00000
     11      13.0619      0.00000
     12      13.7790      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7902      2.00000
      2       1.9412      2.00000
      3       3.0433      2.00000
      4       3.6089      2.00000
      5       7.6294      0.00000
      6       7.9958      0.00000
      7       8.6131      0.00000
      8       9.0830      0.00000
      9       9.3094      0.00000
     10      10.5994      0.00000
     11      12.7760      0.00000
     12      13.6504      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4587      2.00000
      2       1.0641      2.00000
      3       3.3997      2.00000
      4       3.8489      2.00000
      5       6.7341      0.01682
      6       7.3068      0.00006
      7       8.9190      0.00000
      8       9.3947      0.00000
      9       9.6701      0.00000
     10      11.8350      0.00000
     11      12.0301      0.00000
     12      12.9280      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0624      2.00000
      2       0.2904      2.00000
      3       3.8511      2.00000
      4       4.1380      2.00000
      5       5.9001      1.94518
      6       6.6899      0.02604
      7       9.3532      0.00000
      8       9.6899      0.00000
      9       9.9438      0.00000
     10      11.2586      0.00000
     11      12.1544      0.00000
     12      12.9804      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6982      2.00000
      2      -0.2648      2.00000
      3       4.3501      2.00000
      4       4.3811      2.00000
      5       5.1949      1.99995
      6       6.2901      0.83615
      7       9.8154      0.00000
      8       9.8846      0.00000
      9      10.2753      0.00000
     10      10.5631      0.00000
     11      11.5919      0.00000
     12      12.9129      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7700      2.00000
      3       3.1252      2.00000
      4       4.9667      2.00000
      5       6.5706      0.08333
      6       7.9135      0.00000
      7       8.5954      0.00000
      8       9.6072      0.00000
      9      10.0238      0.00000
     10      10.9321      0.00000
     11      11.3380      0.00000
     12      12.6399      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9391      2.00000
      2       1.8148      2.00000
      3       3.1477      2.00000
      4       4.3640      2.00000
      5       7.1898      0.00018
      6       8.0207      0.00000
      7       8.4997      0.00000
      8       9.1911      0.00000
      9       9.9004      0.00000
     10      10.6019      0.00000
     11      11.9415      0.00000
     12      13.1339      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7904      2.00000
      2       1.9391      2.00000
      3       3.0444      2.00000
      4       3.6099      2.00000
      5       7.6299      0.00000
      6       7.9952      0.00000
      7       8.6173      0.00000
      8       9.0843      0.00000
      9       9.3092      0.00000
     10      10.5933      0.00000
     11      12.7795      0.00000
     12      13.6533      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5456      2.00000
      2       1.9671      2.00000
      3       2.4574      2.00000
      4       3.6308      2.00000
      5       6.8647      0.00458
      6       7.9159      0.00000
      7       8.5397      0.00000
      8       9.1007      0.00000
      9      10.0709      0.00000
     10      10.9316      0.00000
     11      13.0671      0.00000
     12      13.0758      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2633      2.00000
      3       2.6071      2.00000
      4       3.8873      2.00000
      5       6.0119      1.84139
      6       7.3181      0.00005
      7       8.6476      0.00000
      8       9.4160      0.00000
      9      10.6271      0.00000
     10      11.8683      0.00000
     11      12.3518      0.00000
     12      12.6905      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5037      2.00000
      3       2.9802      2.00000
      4       4.1965      2.00000
      5       5.2614      1.99991
      6       6.6652      0.03321
      7       8.9710      0.00000
      8       9.7749      0.00000
      9      10.8973      0.00000
     10      11.3851      0.00000
     11      12.0357      0.00000
     12      13.5837      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4380      2.00000
      2      -0.0559      2.00000
      3       3.3425      2.00000
      4       4.4067      2.00000
      5       4.7645      2.00000
      6       6.2229      1.16931
      7       9.2530      0.00000
      8      10.1352      0.00000
      9      10.8075      0.00000
     10      11.1126      0.00000
     11      11.5727      0.00000
     12      13.4989      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8858      2.00000
      3       3.4279      2.00000
      4       5.3023      1.99986
      5       6.4578      0.23676
      6       7.4688      0.00001
      7       8.6812      0.00000
      8       8.8187      0.00000
      9      10.6493      0.00000
     10      11.2452      0.00000
     11      11.4958      0.00000
     12      12.5271      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6091      2.00000
      2       0.9307      2.00000
      3       3.4589      2.00000
      4       4.6674      2.00000
      5       6.7379      0.01619
      6       7.8659      0.00000
      7       8.0782      0.00000
      8       9.1135      0.00000
      9      10.5316      0.00000
     10      11.1455      0.00000
     11      11.7031      0.00000
     12      12.8243      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4592      2.00000
      2       1.0624      2.00000
      3       3.4005      2.00000
      4       3.8497      2.00000
      5       6.7345      0.01675
      6       7.3067      0.00006
      7       8.9241      0.00000
      8       9.3974      0.00000
      9       9.6708      0.00000
     10      11.8045      0.00000
     11      12.0547      0.00000
     12      12.9310      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2121      2.00000
      2       1.2620      2.00000
      3       2.6086      2.00000
      4       3.8870      2.00000
      5       6.0125      1.84046
      6       7.3171      0.00005
      7       8.6502      0.00000
      8       9.4150      0.00000
      9      10.6342      0.00000
     10      11.8579      0.00000
     11      12.3500      0.00000
     12      12.6972      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8744      2.00000
      2       1.3430      2.00000
      3       1.9447      2.00000
      4       4.1181      2.00000
      5       5.2391      1.99992
      6       7.3372      0.00004
      7       8.0502      0.00000
      8       9.7311      0.00000
      9      11.2770      0.00000
     10      11.8805      0.00000
     11      12.5427      0.00000
     12      12.7949      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4661      2.00000
      2       0.7736      2.00000
      3       2.0917      2.00000
      4       4.1377      2.00000
      5       4.8439      2.00000
      6       6.8522      0.00519
      7       8.1233      0.00000
      8      10.0386      0.00000
      9      10.6839      0.00000
     10      11.9983      0.00000
     11      12.8376      0.00000
     12      13.3274      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0776      2.00000
      2       0.2191      2.00000
      3       2.3928      2.00000
      4       3.7745      2.00000
      5       5.0117      1.99999
      6       6.3862      0.43127
      7       8.3421      0.00000
      8      10.0589      0.00000
      9      10.5402      0.00000
     10      11.6779      0.00000
     11      12.9951      0.00000
     12      13.6819      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1119      2.00000
      3       3.8118      2.00000
      4       5.7178      1.99094
      5       5.9133      1.93769
      6       7.5830      0.00000
      7       7.8675      0.00000
      8       8.9542      0.00000
      9      10.1187      0.00000
     10      11.6294      0.00000
     11      12.2060      0.00000
     12      12.8441      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2156      2.00000
      2       0.1567      2.00000
      3       3.8504      2.00000
      4       5.0246      1.99999
      5       6.0475      1.78103
      6       7.3028      0.00006
      7       8.2626      0.00000
      8       9.2721      0.00000
      9      10.4528      0.00000
     10      10.9464      0.00000
     11      12.3348      0.00000
     12      13.1499      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0633      2.00000
      2       0.2893      2.00000
      3       3.8512      2.00000
      4       4.1383      2.00000
      5       5.9014      1.94449
      6       6.6903      0.02593
      7       9.3590      0.00000
      8       9.6957      0.00000
      9       9.9403      0.00000
     10      11.2581      0.00000
     11      12.1564      0.00000
     12      12.9817      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8118      2.00000
      2       0.5029      2.00000
      3       2.9814      2.00000
      4       4.1957      2.00000
      5       5.2628      1.99990
      6       6.6648      0.03332
      7       8.9736      0.00000
      8       9.7734      0.00000
      9      10.9035      0.00000
     10      11.3851      0.00000
     11      12.0370      0.00000
     12      13.5837      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4665      2.00000
      2       0.7731      2.00000
      3       2.0923      2.00000
      4       4.1379      2.00000
      5       4.8438      2.00000
      6       6.8521      0.00520
      7       8.1240      0.00000
      8      10.0384      0.00000
      9      10.6842      0.00000
     10      11.9991      0.00000
     11      12.8523      0.00000
     12      13.3143      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0443      2.00000
      2       0.9234      2.00000
      3       1.4732      2.00000
      4       3.5893      2.00000
      5       5.0858      1.99998
      6       6.9417      0.00212
      7       7.5432      0.00001
      8       9.8488      0.00000
      9      10.6250      0.00000
     10      12.2732      0.00000
     11      12.9043      0.00000
     12      14.0818      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6271      2.00000
      2       0.5226      2.00000
      3       1.5477      2.00000
      4       3.1488      2.00000
      5       5.4268      1.99950
      6       6.6096      0.05720
      7       7.5346      0.00001
      8       9.4954      0.00000
      9      10.9376      0.00000
     10      11.9954      0.00000
     11      12.9216      0.00000
     12      14.5644      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9093      2.00000
      2      -0.4379      2.00000
      3       4.1797      2.00000
      4       5.4036      1.99961
      5       6.1411      1.52261
      6       7.2445      0.00010
      7       7.8019      0.00000
      8       8.9594      0.00000
      9       9.8261      0.00000
     10      11.9833      0.00000
     11      11.9851      0.00000
     12      13.3954      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8568      2.00000
      2      -0.3944      2.00000
      3       4.2270      2.00000
      4       5.2821      1.99988
      5       5.5696      1.99794
      6       6.8048      0.00833
      7       8.5674      0.00000
      8       9.4159      0.00000
      9       9.9422      0.00000
     10      11.2870      0.00000
     11      11.9811      0.00000
     12      13.0382      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6997      2.00000
      2      -0.2652      2.00000
      3       4.3594      2.00000
      4       4.3695      2.00000
      5       5.1986      1.99995
      6       6.2910      0.83201
      7       9.8306      0.00000
      8       9.8832      0.00000
      9      10.2688      0.00000
     10      10.5627      0.00000
     11      11.5961      0.00000
     12      12.9162      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4393      2.00000
      2      -0.0560      2.00000
      3       3.3431      2.00000
      4       4.4057      2.00000
      5       4.7662      2.00000
      6       6.2233      1.16742
      7       9.2555      0.00000
      8      10.1332      0.00000
      9      10.8083      0.00000
     10      11.1125      0.00000
     11      11.5823      0.00000
     12      13.5041      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0787      2.00000
      2       0.2193      2.00000
      3       2.3929      2.00000
      4       3.7757      2.00000
      5       5.0107      1.99999
      6       6.3869      0.42874
      7       8.3425      0.00000
      8      10.0598      0.00000
      9      10.5391      0.00000
     10      11.6775      0.00000
     11      13.0161      0.00000
     12      13.6635      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6278      2.00000
      2       0.5232      2.00000
      3       1.5473      2.00000
      4       3.1494      2.00000
      5       5.4260      1.99951
      6       6.6108      0.05654
      7       7.5341      0.00001
      8       9.4959      0.00000
      9      10.9369      0.00000
     10      11.9951      0.00000
     11      12.9254      0.00000
     12      14.5605      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1446      2.00000
      2       0.7128      2.00000
      3       0.9158      2.00000
      4       2.7411      2.00000
      5       5.8699      1.95921
      6       6.7426      0.01546
      7       6.9370      0.00223
      8       9.1431      0.00000
      9      11.3813      0.00000
     10      12.1283      0.00000
     11      12.3514      0.00000
     12      14.6315      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7449      2.00000
      2       1.7592      2.00000
      3       2.3745      2.00000
      4       5.2096      1.99994
      5       6.3583      0.53303
      6       7.4643      0.00001
      7       9.7103      0.00000
      8       9.7357      0.00000
      9      10.0253      0.00000
     10      10.3502      0.00000
     11      11.2984      0.00000
     12      12.4492      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6950      2.00000
      2       1.8112      2.00000
      3       2.4025      2.00000
      4       4.5770      2.00000
      5       6.6580      0.03563
      6       7.9192      0.00000
      7       8.9585      0.00000
      8       9.4184      0.00000
      9       9.9080      0.00000
     10      10.6791      0.00000
     11      11.9803      0.00000
     12      12.8243      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5457      2.00000
      2       1.9666      2.00000
      3       2.4544      2.00000
      4       3.6345      2.00000
      5       6.8619      0.00471
      6       7.9200      0.00000
      7       8.5412      0.00000
      8       9.1047      0.00000
      9      10.0679      0.00000
     10      10.9286      0.00000
     11      13.0645      0.00000
     12      13.0814      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2998      2.00000
      2       2.2040      2.00000
      3       2.2489      2.00000
      4       3.0642      2.00000
      5       6.8725      0.00424
      6       6.9265      0.00247
      7       7.9361      0.00000
      8      10.3015      0.00000
      9      10.3358      0.00000
     10      11.1692      0.00000
     11      12.3425      0.00000
     12      13.7476      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9641      2.00000
      2       1.4818      2.00000
      3       2.5862      2.00000
      4       3.1522      2.00000
      5       5.9561      1.90598
      6       6.5459      0.10546
      7       7.8192      0.00000
      8      10.6562      0.00000
      9      10.8608      0.00000
     10      11.3743      0.00000
     11      12.5469      0.00000
     12      13.5744      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5594      2.00000
      2       0.7251      2.00000
      3       3.0417      2.00000
      4       3.3925      2.00000
      5       5.1072      1.99998
      6       6.0268      1.81811
      7       8.0344      0.00000
      8      10.4474      0.00000
      9      11.0973      0.00000
     10      11.5057      0.00000
     11      12.9359      0.00000
     12      13.9403      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1780      2.00000
      2       0.1595      2.00000
      3       3.5534      2.00000
      4       3.5952      2.00000
      5       4.3916      2.00000
      6       5.6730      1.99421
      7       8.2578      0.00000
      8      10.0632      0.00000
      9      11.5999      0.00000
     10      11.6310      0.00000
     11      12.2874      0.00000
     12      14.0082      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4128      2.00000
      2       1.0745      2.00000
      3       2.4663      2.00000
      4       5.5448      1.99839
      5       5.7109      1.99154
      6       7.5463      0.00001
      7       8.9143      0.00000
      8      10.0102      0.00000
      9      10.2111      0.00000
     10      11.0950      0.00000
     11      11.4314      0.00000
     12      12.6272      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3625      2.00000
      2       1.1219      2.00000
      3       2.5043      2.00000
      4       4.8543      2.00000
      5       5.9049      1.94260
      6       8.0973      0.00000
      7       8.3559      0.00000
      8       9.6034      0.00000
      9      10.3428      0.00000
     10      11.5366      0.00000
     11      11.7881      0.00000
     12      12.8219      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2123      2.00000
      2       1.2620      2.00000
      3       2.6048      2.00000
      4       3.8909      2.00000
      5       6.0104      1.84346
      6       7.3205      0.00005
      7       8.6503      0.00000
      8       9.4210      0.00000
      9      10.6282      0.00000
     10      11.8625      0.00000
     11      12.3459      0.00000
     12      12.6990      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       1.4805      2.00000
      3       2.5867      2.00000
      4       3.1530      2.00000
      5       5.9559      1.90621
      6       6.5462      0.10518
      7       7.8205      0.00000
      8      10.6607      0.00000
      9      10.8615      0.00000
     10      11.3747      0.00000
     11      12.5375      0.00000
     12      13.5803      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6253      2.00000
      2       1.6025      2.00000
      3       2.0840      2.00000
      4       3.2267      2.00000
      5       5.3112      1.99984
      6       6.3063      0.75845
      7       7.2570      0.00009
      8      10.3471      0.00000
      9      11.2283      0.00000
     10      12.2105      0.00000
     11      13.0099      0.00000
     12      13.9548      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2138      2.00000
      2       1.0095      2.00000
      3       2.2971      2.00000
      4       3.5067      2.00000
      5       4.5840      2.00000
      6       5.9182      1.93472
      7       7.2076      0.00015
      8       9.7501      0.00000
      9      11.6140      0.00000
     10      12.7672      0.00000
     11      13.6224      0.00000
     12      14.2438      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4449      2.00000
      3       2.6386      2.00000
      4       3.7125      2.00000
      5       4.0827      2.00000
      6       5.5496      1.99831
      7       7.3397      0.00004
      8       9.3711      0.00000
      9      11.9765      0.00000
     10      12.8735      0.00000
     11      13.2990      0.00000
     12      14.9017      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0153      2.00000
      2       0.3197      2.00000
      3       2.8104      2.00000
      4       5.0233      1.99999
      5       5.9598      1.90263
      6       7.8142      0.00000
      7       8.1069      0.00000
      8       9.7721      0.00000
      9      10.5939      0.00000
     10      11.1184      0.00000
     11      12.1687      0.00000
     12      12.9268      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9643      2.00000
      2       0.3659      2.00000
      3       2.8538      2.00000
      4       4.9215      2.00000
      5       5.4905      1.99906
      6       7.5317      0.00001
      7       8.5283      0.00000
      8       9.9325      0.00000
      9      10.3459      0.00000
     10      11.2559      0.00000
     11      12.3457      0.00000
     12      12.8056      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8119      2.00000
      2       0.5028      2.00000
      3       2.9773      2.00000
      4       4.1995      2.00000
      5       5.2618      1.99990
      6       6.6673      0.03252
      7       8.9737      0.00000
      8       9.7800      0.00000
      9      10.8979      0.00000
     10      11.3896      0.00000
     11      12.0348      0.00000
     12      13.5763      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5601      2.00000
      2       0.7243      2.00000
      3       3.0415      2.00000
      4       3.3930      2.00000
      5       5.1080      1.99998
      6       6.0273      1.81742
      7       8.0359      0.00000
      8      10.4496      0.00000
      9      11.0977      0.00000
     10      11.5109      0.00000
     11      12.9338      0.00000
     12      13.9373      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2143      2.00000
      2       1.0091      2.00000
      3       2.2976      2.00000
      4       3.5063      2.00000
      5       4.5848      2.00000
      6       5.9181      1.93478
      7       7.2082      0.00015
      8       9.7507      0.00000
      9      11.6134      0.00000
     10      12.7747      0.00000
     11      13.6184      0.00000
     12      14.2429      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7903      2.00000
      2       1.1838      2.00000
      3       1.6821      2.00000
      4       3.5567      2.00000
      5       4.2309      2.00000
      6       5.9056      1.94221
      7       6.6380      0.04338
      8       9.1728      0.00000
      9      12.0175      0.00000
     10      13.6239      0.00000
     11      14.1923      0.00000
     12      14.3688      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3683      2.00000
      2       0.7647      2.00000
      3       1.7976      2.00000
      4       3.2300      2.00000
      5       4.4108      2.00000
      6       5.6387      1.99588
      7       6.5282      0.12462
      8       8.8310      0.00000
      9      12.3972      0.00000
     10      13.3732      0.00000
     11      14.3125      0.00000
     12      14.8326      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6485      2.00000
      2      -0.2337      2.00000
      3       3.1431      2.00000
      4       4.5140      2.00000
      5       6.3823      0.44452
      6       7.4860      0.00001
      7       8.0624      0.00000
      8       9.4694      0.00000
      9      10.9538      0.00000
     10      11.2481      0.00000
     11      12.3659      0.00000
     12      12.4863      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5961      2.00000
      2      -0.1890      2.00000
      3       3.1923      2.00000
      4       4.5145      2.00000
      5       5.7256      1.99021
      6       7.0020      0.00116
      7       8.8280      0.00000
      8       9.9961      0.00000
      9      10.3188      0.00000
     10      11.2900      0.00000
     11      11.8089      0.00000
     12      13.0911      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4394      2.00000
      2      -0.0562      2.00000
      3       3.3383      2.00000
      4       4.4065      2.00000
      5       4.7697      2.00000
      6       6.2249      1.15942
      7       9.2557      0.00000
      8      10.1387      0.00000
      9      10.8152      0.00000
     10      11.1117      0.00000
     11      11.5730      0.00000
     12      13.5008      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1794      2.00000
      2       0.1595      2.00000
      3       3.5568      2.00000
      4       3.5895      2.00000
      5       4.3949      2.00000
      6       5.6737      1.99416
      7       8.2591      0.00000
      8      10.0650      0.00000
      9      11.6005      0.00000
     10      11.6340      0.00000
     11      12.2917      0.00000
     12      14.0118      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8194      2.00000
      2       0.4452      2.00000
      3       2.6386      2.00000
      4       3.7112      2.00000
      5       4.0846      2.00000
      6       5.5499      1.99830
      7       7.3401      0.00004
      8       9.3722      0.00000
      9      11.9752      0.00000
     10      12.8732      0.00000
     11      13.3105      0.00000
     12      14.9006      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3691      2.00000
      2       0.7654      2.00000
      3       1.7971      2.00000
      4       3.2305      2.00000
      5       4.4105      2.00000
      6       5.6393      1.99586
      7       6.5280      0.12484
      8       8.8315      0.00000
      9      12.3964      0.00000
     10      13.3723      0.00000
     11      14.3278      0.00000
     12      14.8205      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1142      2.00000
      2       0.9736      2.00000
      3       1.1680      2.00000
      4       2.8310      2.00000
      5       4.8462      2.00000
      6       5.7042      1.99209
      7       5.9227      1.93178
      8       8.5233      0.00000
      9      12.8423      0.00000
     10      13.5696      0.00000
     11      13.7797      0.00000
     12      15.8051      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0763      2.00000
      2       1.1341      2.00000
      3       1.7972      2.00000
      4       4.9109      2.00000
      5       5.8799      1.95500
      6       7.8041      0.00000
      7       9.1209      0.00000
      8       9.3976      0.00000
      9      10.4753      0.00000
     10      11.3200      0.00000
     11      11.9531      0.00000
     12      12.7715      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0257      2.00000
      2       1.1863      2.00000
      3       1.8347      2.00000
      4       4.8110      2.00000
      5       5.4363      1.99945
      6       8.4027      0.00000
      7       8.4361      0.00000
      8       8.9569      0.00000
      9      11.1912      0.00000
     10      11.8088      0.00000
     11      12.0654      0.00000
     12      12.1255      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8747      2.00000
      2       1.3427      2.00000
      3       1.9412      2.00000
      4       4.1214      2.00000
      5       5.2381      1.99992
      6       7.3412      0.00004
      7       8.0503      0.00000
      8       9.7375      0.00000
      9      11.2772      0.00000
     10      11.8838      0.00000
     11      12.5360      0.00000
     12      12.7982      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6254      2.00000
      2       1.6024      2.00000
      3       2.0808      2.00000
      4       3.2298      2.00000
      5       5.3094      1.99985
      6       6.3094      0.74396
      7       7.2569      0.00009
      8      10.3480      0.00000
      9      11.2339      0.00000
     10      12.2095      0.00000
     11      13.0047      0.00000
     12      13.9579      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2836      2.00000
      2       1.9423      2.00000
      3       1.9873      2.00000
      4       2.6960      2.00000
      5       5.3320      1.99981
      6       5.3801      1.99969
      7       6.6489      0.03896
      8       9.6501      0.00000
      9      12.5453      0.00000
     10      12.5825      0.00000
     11      13.5022      0.00000
     12      14.7094      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8667      2.00000
      2       1.3210      2.00000
      3       2.4230      2.00000
      4       2.8150      2.00000
      5       4.5014      2.00000
      6       5.1997      1.99995
      7       6.4044      0.37290
      8       9.0726      0.00000
      9      12.9875      0.00000
     10      13.3036      0.00000
     11      14.6456      0.00000
     12      14.6787      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4590      2.00000
      2       0.7469      2.00000
      3       2.9385      2.00000
      4       2.9979      2.00000
      5       3.7830      2.00000
      6       4.9656      2.00000
      7       6.4168      0.33680
      8       8.7330      0.00000
      9      13.4631      0.00000
     10      13.5699      0.00000
     11      14.1445      0.00000
     12      15.4855      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6705      2.00000
      2       0.5796      2.00000
      3       1.9125      2.00000
      4       4.2056      2.00000
      5       6.2944      0.81546
      6       8.1298      0.00000
      7       8.4312      0.00000
      8       9.6667      0.00000
      9      10.1362      0.00000
     10      11.5212      0.00000
     11      11.9930      0.00000
     12      12.4925      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6194      2.00000
      2       0.6282      2.00000
      3       1.9571      2.00000
      4       4.2130      2.00000
      5       5.7042      1.99209
      6       7.8242      0.00000
      7       8.8263      0.00000
      8       9.0874      0.00000
      9      10.8259      0.00000
     10      11.4663      0.00000
     11      12.1873      0.00000
     12      12.6106      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4667      2.00000
      2       0.7729      2.00000
      3       2.0883      2.00000
      4       4.1379      2.00000
      5       4.8470      2.00000
      6       6.8552      0.00504
      7       8.1241      0.00000
      8      10.0437      0.00000
      9      10.6876      0.00000
     10      12.0037      0.00000
     11      12.8461      0.00000
     12      13.3174      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2144      2.00000
      2       1.0090      2.00000
      3       2.2939      2.00000
      4       3.5094      2.00000
      5       4.5844      2.00000
      6       5.9202      1.93344
      7       7.2081      0.00015
      8       9.7513      0.00000
      9      11.6210      0.00000
     10      12.7705      0.00000
     11      13.6225      0.00000
     12      14.2385      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8672      2.00000
      2       1.3206      2.00000
      3       2.4225      2.00000
      4       2.8154      2.00000
      5       4.5019      2.00000
      6       5.1999      1.99995
      7       6.4049      0.37126
      8       9.0732      0.00000
      9      12.9897      0.00000
     10      13.3089      0.00000
     11      14.5925      0.00000
     12      14.7263      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4402      2.00000
      2       1.5459      2.00000
      3       1.9426      2.00000
      4       2.9866      2.00000
      5       4.0277      2.00000
      6       4.9509      2.00000
      7       5.8228      1.97433
      8       8.5464      0.00000
      9      13.5351      0.00000
     10      14.5087      0.00000
     11      15.1195      0.00000
     12      15.2267      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0098      2.00000
      2       1.0934      2.00000
      3       2.1405      2.00000
      4       3.2173      2.00000
      5       3.5661      2.00000
      6       4.7727      2.00000
      7       5.6027      1.99713
      8       8.2498      0.00000
      9      13.9383      0.00000
     10      14.7572      0.00000
     11      15.1489      0.00000
     12      15.7623      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2874      2.00000
      2       0.0336      2.00000
      3       2.1887      2.00000
      4       3.7186      2.00000
      5       6.7166      0.02000
      6       7.8149      0.00000
      7       8.4151      0.00000
      8       9.7706      0.00000
      9      10.0271      0.00000
     10      11.4253      0.00000
     11      11.6746      0.00000
     12      12.7850      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2351      2.00000
      2       0.0802      2.00000
      3       2.2388      2.00000
      4       3.7362      2.00000
      5       6.0571      1.76160
      6       7.2840      0.00007
      7       9.1642      0.00000
      8       9.3733      0.00000
      9      10.3156      0.00000
     10      11.0871      0.00000
     11      12.4097      0.00000
     12      12.8537      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0787      2.00000
      2       0.2188      2.00000
      3       2.3884      2.00000
      4       3.7748      2.00000
      5       5.0163      1.99999
      6       6.3889      0.42216
      7       8.3427      0.00000
      8      10.0597      0.00000
      9      10.5495      0.00000
     10      11.6820      0.00000
     11      13.0062      0.00000
     12      13.6700      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8194      2.00000
      2       0.4449      2.00000
      3       2.6342      2.00000
      4       3.7122      2.00000
      5       4.0879      2.00000
      6       5.5510      1.99828
      7       7.3402      0.00004
      8       9.3727      0.00000
      9      11.9842      0.00000
     10      12.8769      0.00000
     11      13.3019      0.00000
     12      14.9012      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4602      2.00000
      2       0.7473      2.00000
      3       2.9393      2.00000
      4       2.9946      2.00000
      5       3.7859      2.00000
      6       4.9659      2.00000
      7       6.4173      0.33519
      8       8.7339      0.00000
      9      13.4635      0.00000
     10      13.5754      0.00000
     11      14.1482      0.00000
     12      15.4881      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0106      2.00000
      2       1.0942      2.00000
      3       2.1399      2.00000
      4       3.2159      2.00000
      5       3.5681      2.00000
      6       4.7727      2.00000
      7       5.6029      1.99712
      8       8.2502      0.00000
      9      13.9374      0.00000
     10      14.7550      0.00000
     11      15.1683      0.00000
     12      15.7473      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4733      2.00000
      2       1.3362      2.00000
      3       1.5146      2.00000
      4       2.9328      2.00000
      5       3.9046      2.00000
      6       4.7476      2.00000
      7       4.9894      1.99999
      8       7.9841      0.00000
      9      14.3815      0.00000
     10      15.0508      0.00000
     11      15.2628      0.00000
     12      16.4021      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2494      2.00000
      2       0.7140      2.00000
      3       1.2940      2.00000
      4       3.5173      2.00000
      5       6.7094      0.02148
      6       8.5057      0.00000
      7       8.7278      0.00000
      8       8.9521      0.00000
      9      10.1897      0.00000
     10      11.0442      0.00000
     11      11.1925      0.00000
     12      13.5145      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1980      2.00000
      2       0.7664      2.00000
      3       1.3382      2.00000
      4       3.5383      2.00000
      5       6.0873      1.69032
      6       8.0175      0.00000
      7       8.4389      0.00000
      8       9.2197      0.00000
      9      10.6977      0.00000
     10      10.9827      0.00000
     11      11.7604      0.00000
     12      13.9075      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0445      2.00000
      2       0.9233      2.00000
      3       1.4689      2.00000
      4       3.5886      2.00000
      5       5.0906      1.99998
      6       6.9457      0.00204
      7       7.5424      0.00001
      8       9.8504      0.00000
      9      10.6323      0.00000
     10      12.2816      0.00000
     11      12.9105      0.00000
     12      14.0718      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7904      2.00000
      2       1.1839      2.00000
      3       1.6779      2.00000
      4       3.5571      2.00000
      5       4.2338      2.00000
      6       5.9088      1.94040
      7       6.6372      0.04370
      8       9.1736      0.00000
      9      12.0255      0.00000
     10      13.6346      0.00000
     11      14.2051      0.00000
     12      14.3516      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4402      2.00000
      2       1.5462      2.00000
      3       1.9385      2.00000
      4       2.9895      2.00000
      5       4.0273      2.00000
      6       4.9534      2.00000
      7       5.8221      1.97450
      8       8.5468      0.00000
      9      13.5429      0.00000
     10      14.5119      0.00000
     11      15.1173      0.00000
     12      15.2248      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0067      2.00000
      2       1.9833      2.00000
      3       2.0277      2.00000
      4       2.4585      2.00000
      5       4.0720      2.00000
      6       4.1174      2.00000
      7       5.1656      1.99996
      8       8.0757      0.00000
      9      14.9440      0.00000
     10      14.9796      0.00000
     11      15.8012      0.00000
     12      15.9526      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4399      2.00000
      2       1.4844      2.00000
      3       2.5227      2.00000
      4       2.5940      2.00000
      5       3.3752      2.00000
      6       4.1210      2.00000
      7       4.7871      2.00000
      8       7.8188      0.00000
      9      15.4042      0.00000
     10      15.6013      0.00000
     11      15.9913      0.00000
     12      16.8441      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8357      2.00000
      2       0.3255      2.00000
      3       1.3407      2.00000
      4       3.0671      2.00000
      5       7.1338      0.00031
      6       8.2076      0.00000
      7       8.8529      0.00000
      8       9.2151      0.00000
      9       9.9518      0.00000
     10      10.6230      0.00000
     11      10.9043      0.00000
     12      13.4405      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7835      2.00000
      2       0.3750      2.00000
      3       1.3913      2.00000
      4       3.0887      2.00000
      5       6.4774      0.19897
      6       7.6049      0.00000
      7       8.5601      0.00000
      8       9.5857      0.00000
      9      10.1518      0.00000
     10      10.7959      0.00000
     11      11.6555      0.00000
     12      13.8580      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6275      2.00000
      2       0.5224      2.00000
      3       1.5426      2.00000
      4       3.1492      2.00000
      5       5.4321      1.99948
      6       6.6129      0.05538
      7       7.5337      0.00001
      8       9.4973      0.00000
      9      10.9457      0.00000
     10      12.0015      0.00000
     11      12.9312      0.00000
     12      14.5548      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3688      2.00000
      2       0.7648      2.00000
      3       1.7924      2.00000
      4       3.2303      2.00000
      5       4.4157      2.00000
      6       5.6408      1.99579
      7       6.5276      0.12527
      8       8.8324      0.00000
      9      12.4057      0.00000
     10      13.3802      0.00000
     11      14.3333      0.00000
     12      14.8110      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0103      2.00000
      2       1.0939      2.00000
      3       2.1352      2.00000
      4       3.2172      2.00000
      5       3.5715      2.00000
      6       4.7735      2.00000
      7       5.6025      1.99713
      8       8.2505      0.00000
      9      13.9467      0.00000
     10      14.7640      0.00000
     11      15.1573      0.00000
     12      15.7530      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4390      2.00000
      2       1.4855      2.00000
      3       2.5225      2.00000
      4       2.5916      2.00000
      5       3.3779      2.00000
      6       4.1202      2.00000
      7       4.7877      2.00000
      8       7.8191      0.00000
      9      15.4051      0.00000
     10      15.6079      0.00000
     11      15.9928      0.00000
     12      16.8430      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9251      2.00000
      2       1.7948      2.00000
      3       1.9390      2.00000
      4       2.9362      2.00000
      5       3.1578      2.00000
      6       3.8897      2.00000
      7       4.1632      2.00000
      8       7.5870      0.00000
      9      15.9331      0.00000
     10      16.4590      0.00000
     11      16.7039      0.00000
     12      16.8299      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3510      2.00000
      2       0.5031      2.00000
      3       0.7049      2.00000
      4       2.6607      2.00000
      5       7.5723      0.00000
      6       8.5311      0.00000
      7       8.6144      0.00000
      8       9.3228      0.00000
      9      10.0132      0.00000
     10      10.0590      0.00000
     11      10.2929      0.00000
     12      13.3350      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2989      2.00000
      2       0.5555      2.00000
      3       0.7559      2.00000
      4       2.6816      2.00000
      5       6.9220      0.00259
      6       7.8208      0.00000
      7       7.9665      0.00000
      8       9.7172      0.00000
      9      10.0927      0.00000
     10      10.8117      0.00000
     11      11.0636      0.00000
     12      13.7181      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1429      2.00000
      2       0.7126      2.00000
      3       0.9085      2.00000
      4       2.7415      2.00000
      5       5.8778      1.95593
      6       6.7466      0.01486
      7       6.9328      0.00232
      8       9.1449      0.00000
      9      11.3901      0.00000
     10      12.1361      0.00000
     11      12.3563      0.00000
     12      14.6347      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1159      2.00000
      2       0.9737      2.00000
      3       1.1607      2.00000
      4       2.8314      2.00000
      5       4.8531      2.00000
      6       5.7074      1.99183
      7       5.9192      1.93406
      8       8.5245      0.00000
      9      12.8522      0.00000
     10      13.5785      0.00000
     11      13.7850      0.00000
     12      15.8090      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4750      2.00000
      2       1.3366      2.00000
      3       1.5073      2.00000
      4       2.9333      2.00000
      5       3.9109      2.00000
      6       4.7501      2.00000
      7       4.9861      1.99999
      8       7.9847      0.00000
      9      14.3919      0.00000
     10      15.0609      0.00000
     11      15.2698      0.00000
     12      16.3930      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9266      2.00000
      2       1.7956      2.00000
      3       1.9313      2.00000
      4       2.9389      2.00000
      5       3.1616      2.00000
      6       3.8915      2.00000
      7       4.1605      2.00000
      8       7.5872      0.00000
      9      15.9416      0.00000
     10      16.4727      0.00000
     11      16.7274      0.00000
     12      16.8028      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4222      2.00000
      2       2.2954      2.00000
      3       2.3297      2.00000
      4       2.3732      2.00000
      5       3.1542      2.00000
      6       3.1904      2.00000
      7       3.5024      2.00000
      8       7.3751      0.00003
      9      17.2345      0.00000
     10      17.2746      0.00000
     11      17.4614      0.00000
     12      17.9440      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6393      2.00000
      3       4.3777      2.00000
      4       4.3816      2.00000
      5       5.6036      1.99710
      6       6.1559      1.46670
      7       7.7989      0.00000
      8      11.5710      0.00000
      9      11.5752      0.00000
     10      12.1711      0.00000
     11      12.8616      0.00000
     12      12.9893      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5634      2.00000
      3       3.8387      2.00000
      4       4.4280      2.00000
      5       5.9306      1.92637
      6       6.5076      0.15102
      7       7.9525      0.00000
      8      10.8367      0.00000
      9      11.4791      0.00000
     10      11.8537      0.00000
     11      12.3625      0.00000
     12      12.8463      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6473      2.00000
      3       3.8796      2.00000
      4       4.5749      2.00000
      5       6.1421      1.51882
      6       7.1326      0.00032
      7       8.6224      0.00000
      8       9.8286      0.00000
      9      10.5018      0.00000
     10      11.7639      0.00000
     11      11.8710      0.00000
     12      12.8767      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6626      2.00000
      3       4.1140      2.00000
      4       4.8182      2.00000
      5       6.3862      0.43117
      6       7.4346      0.00002
      7       8.8230      0.00000
      8       9.4703      0.00000
      9       9.9060      0.00000
     10      10.9700      0.00000
     11      12.0681      0.00000
     12      12.5052      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7607      2.00000
      3       4.4432      2.00000
      4       5.1544      1.99997
      5       6.6748      0.03020
      6       7.5838      0.00000
      7       8.0334      0.00000
      8       8.5369      0.00000
      9      10.1173      0.00000
     10      11.3459      0.00000
     11      12.1155      0.00000
     12      12.3857      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4177      2.00000
      2      -0.0166      2.00000
      3       4.8477      2.00000
      4       5.5711      1.99790
      5       6.7487      0.01454
      6       7.4439      0.00001
      7       7.7211      0.00000
      8       7.8858      0.00000
      9       9.3427      0.00000
     10      11.6139      0.00000
     11      12.7660      0.00000
     12      13.0930      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0650      2.00000
      2      -0.5637      2.00000
      3       5.2485      1.99992
      4       5.9969      1.86196
      5       6.3353      0.62759
      6       7.0920      0.00047
      7       7.6108      0.00000
      8       8.1165      0.00000
      9       8.6729      0.00000
     10      11.4413      0.00000
     11      13.1116      0.00000
     12      14.1375      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6113      2.00000
      3       4.5244      2.00000
      4       4.5283      2.00000
      5       5.7618      1.98597
      6       6.7610      0.01288
      7       8.5681      0.00000
      8      10.4560      0.00000
      9      10.4583      0.00000
     10      11.4063      0.00000
     11      12.8064      0.00000
     12      13.0047      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6439      2.00000
      3       3.8836      2.00000
      4       4.5747      2.00000
      5       6.1427      1.51671
      6       7.1364      0.00030
      7       8.6174      0.00000
      8       9.8289      0.00000
      9      10.4989      0.00000
     10      11.7919      0.00000
     11      11.8425      0.00000
     12      12.8791      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5814      2.00000
      3       3.0713      2.00000
      4       4.7214      2.00000
      5       6.4050      0.37103
      6       8.0497      0.00000
      7       8.6527      0.00000
      8       9.1576      0.00000
      9      10.4995      0.00000
     10      10.8432      0.00000
     11      11.8448      0.00000
     12      12.6312      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7723      2.00000
      3       3.1257      2.00000
      4       4.9646      2.00000
      5       6.5636      0.08907
      6       7.9159      0.00000
      7       8.5942      0.00000
      8       9.6075      0.00000
      9      10.0328      0.00000
     10      10.9256      0.00000
     11      11.3367      0.00000
     12      12.6360      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6586      2.00000
      2       0.8876      2.00000
      3       3.4287      2.00000
      4       5.3007      1.99986
      5       6.4554      0.24201
      6       7.4642      0.00001
      7       8.6806      0.00000
      8       8.8181      0.00000
      9      10.6458      0.00000
     10      11.2489      0.00000
     11      11.5002      0.00000
     12      12.5253      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2655      2.00000
      2       0.1131      2.00000
      3       3.8131      2.00000
      4       5.7170      1.99101
      5       5.9131      1.93781
      6       7.5723      0.00000
      7       7.8676      0.00000
      8       8.9541      0.00000
      9      10.1152      0.00000
     10      11.6324      0.00000
     11      12.2057      0.00000
     12      12.8456      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9077      2.00000
      2      -0.4374      2.00000
      3       4.1820      2.00000
      4       5.4028      1.99961
      5       6.1422      1.51867
      6       7.2387      0.00011
      7       7.7932      0.00000
      8       8.9599      0.00000
      9       9.8238      0.00000
     10      11.9777      0.00000
     11      11.9937      0.00000
     12      13.3890      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1867      2.00000
      2       1.6183      2.00000
      3       4.7674      2.00000
      4       4.7714      2.00000
      5       6.0245      1.82202
      6       7.0457      0.00075
      7       9.4209      0.00000
      8       9.4224      0.00000
      9       9.8371      0.00000
     10      10.5260      0.00000
     11      12.3264      0.00000
     12      13.2377      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1370      2.00000
      2       1.6596      2.00000
      3       4.1180      2.00000
      4       4.8177      2.00000
      5       6.3866      0.42995
      6       7.4402      0.00001
      7       8.8243      0.00000
      8       9.4688      0.00000
      9       9.8978      0.00000
     10      10.9704      0.00000
     11      12.0648      0.00000
     12      12.5099      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9887      2.00000
      2       1.7696      2.00000
      3       3.1288      2.00000
      4       4.9644      2.00000
      5       6.5637      0.08906
      6       7.9164      0.00000
      7       8.6004      0.00000
      8       9.6062      0.00000
      9      10.0253      0.00000
     10      10.9315      0.00000
     11      11.3303      0.00000
     12      12.6376      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7605      2.00000
      3       2.3761      2.00000
      4       5.2074      1.99994
      5       6.3564      0.54050
      6       7.4597      0.00001
      7       9.7122      0.00000
      8       9.7416      0.00000
      9      10.0197      0.00000
     10      10.3529      0.00000
     11      11.2930      0.00000
     12      12.4462      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4122      2.00000
      2       1.0762      2.00000
      3       2.4672      2.00000
      4       5.5431      1.99842
      5       5.7114      1.99150
      6       7.5377      0.00001
      7       8.9142      0.00000
      8      10.0095      0.00000
      9      10.2087      0.00000
     10      11.0944      0.00000
     11      11.4335      0.00000
     12      12.6281      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0142      2.00000
      2       0.3209      2.00000
      3       2.8117      2.00000
      4       5.0237      1.99999
      5       5.9589      1.90344
      6       7.8023      0.00000
      7       8.1072      0.00000
      8       9.7695      0.00000
      9      10.5919      0.00000
     10      11.1209      0.00000
     11      12.1638      0.00000
     12      12.9236      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6468      2.00000
      2      -0.2332      2.00000
      3       3.1452      2.00000
      4       4.5138      2.00000
      5       6.3832      0.44146
      6       7.4803      0.00001
      7       8.0532      0.00000
      8       9.4671      0.00000
      9      10.9494      0.00000
     10      11.2572      0.00000
     11      12.3545      0.00000
     12      12.4866      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8588      2.00000
      2       0.7146      2.00000
      3       5.1032      1.99998
      4       5.1075      1.99998
      5       6.3896      0.41988
      6       7.2202      0.00013
      7       8.4875      0.00000
      8       8.4878      0.00000
      9       9.6535      0.00000
     10      11.2265      0.00000
     11      12.0093      0.00000
     12      13.5461      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7582      2.00000
      3       4.4471      2.00000
      4       5.1535      1.99997
      5       6.6747      0.03023
      6       7.5889      0.00000
      7       8.0361      0.00000
      8       8.5362      0.00000
      9      10.1172      0.00000
     10      11.3387      0.00000
     11      12.1088      0.00000
     12      12.3922      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6590      2.00000
      2       0.8852      2.00000
      3       3.4320      2.00000
      4       5.3000      1.99986
      5       6.4557      0.24129
      6       7.4646      0.00001
      7       8.6800      0.00000
      8       8.8249      0.00000
      9      10.6475      0.00000
     10      11.2453      0.00000
     11      11.4922      0.00000
     12      12.5272      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0741      2.00000
      3       2.4697      2.00000
      4       5.5426      1.99842
      5       5.7118      1.99147
      6       7.5377      0.00001
      7       8.9141      0.00000
      8      10.0139      0.00000
      9      10.2104      0.00000
     10      11.0939      0.00000
     11      11.4279      0.00000
     12      12.6271      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0756      2.00000
      2       1.1351      2.00000
      3       1.7989      2.00000
      4       4.9120      2.00000
      5       5.8780      1.95585
      6       7.7942      0.00000
      7       9.1255      0.00000
      8       9.3922      0.00000
      9      10.4710      0.00000
     10      11.3174      0.00000
     11      11.9533      0.00000
     12      12.7748      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5807      2.00000
      3       1.9139      2.00000
      4       4.2063      2.00000
      5       6.2932      0.82104
      6       8.1168      0.00000
      7       8.4319      0.00000
      8       9.6668      0.00000
      9      10.1337      0.00000
     10      11.5137      0.00000
     11      11.9889      0.00000
     12      12.4973      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2856      2.00000
      2       0.0341      2.00000
      3       2.1905      2.00000
      4       3.7187      2.00000
      5       6.7171      0.01989
      6       7.8094      0.00000
      7       8.4046      0.00000
      8       9.7661      0.00000
      9      10.0333      0.00000
     10      11.4182      0.00000
     11      11.6699      0.00000
     12      12.7872      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4695      2.00000
      2      -0.0624      2.00000
      3       5.5191      1.99875
      4       5.5239      1.99869
      5       6.8530      0.00515
      6       7.3441      0.00004
      7       7.6712      0.00000
      8       7.6752      0.00000
      9       8.8364      0.00000
     10      11.4219      0.00000
     11      13.1286      0.00000
     12      13.8913      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0186      2.00000
      3       4.8515      2.00000
      4       5.5694      1.99794
      5       6.7489      0.01452
      6       7.4441      0.00001
      7       7.7226      0.00000
      8       7.8921      0.00000
      9       9.3435      0.00000
     10      11.6133      0.00000
     11      12.7667      0.00000
     12      13.0838      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2662      2.00000
      2       0.1112      2.00000
      3       3.8163      2.00000
      4       5.7155      1.99115
      5       5.9140      1.93731
      6       7.5713      0.00000
      7       7.8698      0.00000
      8       8.9586      0.00000
      9      10.1179      0.00000
     10      11.6282      0.00000
     11      12.2083      0.00000
     12      12.8423      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0147      2.00000
      2       0.3192      2.00000
      3       2.8143      2.00000
      4       5.0243      1.99999
      5       5.9577      1.90457
      6       7.8007      0.00000
      7       8.1104      0.00000
      8       9.7697      0.00000
      9      10.5940      0.00000
     10      11.1221      0.00000
     11      12.1644      0.00000
     12      12.9192      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6696      2.00000
      2       0.5793      2.00000
      3       1.9157      2.00000
      4       4.2066      2.00000
      5       6.2925      0.82484
      6       8.1146      0.00000
      7       8.4367      0.00000
      8       9.6656      0.00000
      9      10.1307      0.00000
     10      11.5165      0.00000
     11      11.9891      0.00000
     12      12.5041      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2482      2.00000
      2       0.7148      2.00000
      3       1.2955      2.00000
      4       3.5181      2.00000
      5       6.7076      0.02185
      6       8.4847      0.00000
      7       8.7420      0.00000
      8       8.9484      0.00000
      9      10.1833      0.00000
     10      11.0375      0.00000
     11      11.1922      0.00000
     12      13.5191      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8337      2.00000
      2       0.3259      2.00000
      3       1.3423      2.00000
      4       3.0674      2.00000
      5       7.1336      0.00031
      6       8.2024      0.00000
      7       8.8331      0.00000
      8       9.2302      0.00000
      9       9.9480      0.00000
     10      10.6165      0.00000
     11      10.8991      0.00000
     12      13.4381      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1186      2.00000
      2      -0.6080      2.00000
      3       5.9434      1.91672
      4       5.9495      1.91176
      5       7.0357      0.00083
      6       7.0453      0.00075
      7       7.4155      0.00002
      8       7.4206      0.00002
      9       8.1035      0.00000
     10      11.2690      0.00000
     11      14.1645      0.00000
     12      14.5269      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5654      2.00000
      3       5.2526      1.99991
      4       5.9936      1.86614
      5       6.3360      0.62461
      6       7.0928      0.00047
      7       7.6137      0.00000
      8       8.1200      0.00000
      9       8.6756      0.00000
     10      11.4409      0.00000
     11      13.1097      0.00000
     12      14.1401      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4389      2.00000
      3       4.1854      2.00000
      4       5.4037      1.99961
      5       6.1390      1.53007
      6       7.2395      0.00011
      7       7.7961      0.00000
      8       8.9597      0.00000
      9       9.8305      0.00000
     10      11.9634      0.00000
     11      12.0029      0.00000
     12      13.4122      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6476      2.00000
      2      -0.2346      2.00000
      3       3.1478      2.00000
      4       4.5145      2.00000
      5       6.3803      0.45138
      6       7.4810      0.00001
      7       8.0567      0.00000
      8       9.4648      0.00000
      9      10.9542      0.00000
     10      11.2556      0.00000
     11      12.3486      0.00000
     12      12.4931      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2861      2.00000
      2       0.0328      2.00000
      3       2.1925      2.00000
      4       3.7191      2.00000
      5       6.7147      0.02037
      6       7.8098      0.00000
      7       8.4099      0.00000
      8       9.7633      0.00000
      9      10.0277      0.00000
     10      11.4233      0.00000
     11      11.6710      0.00000
     12      12.7945      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8340      2.00000
      2       0.3248      2.00000
      3       1.3437      2.00000
      4       3.0676      2.00000
      5       7.1320      0.00032
      6       8.2020      0.00000
      7       8.8487      0.00000
      8       9.2151      0.00000
      9       9.9433      0.00000
     10      10.6231      0.00000
     11      10.8990      0.00000
     12      13.4379      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3487      2.00000
      2       0.5038      2.00000
      3       0.7056      2.00000
      4       2.6612      2.00000
      5       7.5703      0.00000
      6       8.5290      0.00000
      7       8.6096      0.00000
      8       9.3221      0.00000
      9       9.9980      0.00000
     10      10.0641      0.00000
     11      10.2868      0.00000
     12      13.3318      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6438      2.00000
      3       3.8807      2.00000
      4       4.5772      2.00000
      5       6.1477      1.49793
      6       7.1319      0.00032
      7       8.6168      0.00000
      8       9.8282      0.00000
      9      10.4990      0.00000
     10      11.7953      0.00000
     11      11.8434      0.00000
     12      12.8735      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6797      2.00000
      3       3.7665      2.00000
      4       4.1254      2.00000
      5       6.7044      0.02255
      6       7.3004      0.00006
      7       8.6616      0.00000
      8       9.6980      0.00000
      9      10.0557      0.00000
     10      11.1933      0.00000
     11      12.2586      0.00000
     12      13.2275      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6327      2.00000
      3       3.0701      2.00000
      4       4.1455      2.00000
      5       7.0852      0.00051
      6       8.0910      0.00000
      7       8.7017      0.00000
      8       9.0971      0.00000
      9       9.8224      0.00000
     10      10.4913      0.00000
     11      12.4843      0.00000
     12      13.1060      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8170      2.00000
      3       3.1480      2.00000
      4       4.3614      2.00000
      5       7.1846      0.00019
      6       8.0215      0.00000
      7       8.4990      0.00000
      8       9.1916      0.00000
      9       9.9033      0.00000
     10      10.6047      0.00000
     11      11.9370      0.00000
     12      13.1310      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9325      2.00000
      3       3.4596      2.00000
      4       4.6652      2.00000
      5       6.7380      0.01617
      6       7.8562      0.00000
      7       8.0812      0.00000
      8       9.1123      0.00000
      9      10.5280      0.00000
     10      11.1529      0.00000
     11      11.7042      0.00000
     12      12.8222      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       0.1579      2.00000
      3       3.8517      2.00000
      4       5.0230      1.99999
      5       6.0474      1.78109
      6       7.2996      0.00006
      7       8.2566      0.00000
      8       9.2716      0.00000
      9      10.4464      0.00000
     10      10.9514      0.00000
     11      12.3346      0.00000
     12      13.1528      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8552      2.00000
      2      -0.3938      2.00000
      3       4.2293      2.00000
      4       5.2825      1.99988
      5       5.5670      1.99799
      6       6.8016      0.00860
      7       8.5591      0.00000
      8       9.4171      0.00000
      9       9.9379      0.00000
     10      11.2911      0.00000
     11      11.9783      0.00000
     12      13.0349      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6595      2.00000
      3       4.1149      2.00000
      4       4.8204      2.00000
      5       6.3918      0.41257
      6       7.4348      0.00002
      7       8.8236      0.00000
      8       9.4694      0.00000
      9       9.8983      0.00000
     10      10.9727      0.00000
     11      12.0678      0.00000
     12      12.5011      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0873      2.00000
      2       1.7015      2.00000
      3       4.0183      2.00000
      4       4.3388      2.00000
      5       6.9464      0.00203
      6       7.5967      0.00000
      7       8.6976      0.00000
      8       9.0950      0.00000
      9       9.9679      0.00000
     10      11.3750      0.00000
     11      11.4272      0.00000
     12      12.7741      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9389      2.00000
      2       1.8144      2.00000
      3       3.1510      2.00000
      4       4.3614      2.00000
      5       7.1843      0.00019
      6       8.0220      0.00000
      7       8.5039      0.00000
      8       9.1916      0.00000
      9       9.8992      0.00000
     10      10.6044      0.00000
     11      11.9334      0.00000
     12      13.1321      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8124      2.00000
      3       2.4041      2.00000
      4       4.5743      2.00000
      5       6.6588      0.03537
      6       7.9112      0.00000
      7       8.9612      0.00000
      8       9.4158      0.00000
      9       9.9117      0.00000
     10      10.6826      0.00000
     11      11.9741      0.00000
     12      12.8208      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3619      2.00000
      2       1.1236      2.00000
      3       2.5052      2.00000
      4       4.8521      2.00000
      5       5.9059      1.94205
      6       8.0852      0.00000
      7       8.3589      0.00000
      8       9.6022      0.00000
      9      10.3427      0.00000
     10      11.5391      0.00000
     11      11.7884      0.00000
     12      12.8195      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9632      2.00000
      2       0.3670      2.00000
      3       2.8551      2.00000
      4       4.9213      2.00000
      5       5.4894      1.99907
      6       7.5282      0.00001
      7       8.5207      0.00000
      8       9.9325      0.00000
      9      10.3441      0.00000
     10      11.2549      0.00000
     11      12.3443      0.00000
     12      12.8048      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5945      2.00000
      2      -0.1885      2.00000
      3       3.1944      2.00000
      4       4.5143      2.00000
      5       5.7245      1.99031
      6       6.9982      0.00121
      7       8.8181      0.00000
      8       9.9959      0.00000
      9      10.3180      0.00000
     10      11.2915      0.00000
     11      11.8059      0.00000
     12      13.0901      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7581      2.00000
      3       4.4439      2.00000
      4       5.1564      1.99997
      5       6.6801      0.02868
      6       7.5815      0.00000
      7       8.0385      0.00000
      8       8.5360      0.00000
      9      10.1196      0.00000
     10      11.3378      0.00000
     11      12.1122      0.00000
     12      12.3852      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7586      2.00000
      2       0.8020      2.00000
      3       4.3681      2.00000
      4       4.6365      2.00000
      5       7.2143      0.00014
      6       7.6059      0.00000
      7       7.8498      0.00000
      8       8.4810      0.00000
      9      10.5657      0.00000
     10      11.3327      0.00000
     11      11.6484      0.00000
     12      12.4220      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6088      2.00000
      2       0.9302      2.00000
      3       3.4626      2.00000
      4       4.6649      2.00000
      5       6.7380      0.01617
      6       7.8547      0.00000
      7       8.0841      0.00000
      8       9.1182      0.00000
      9      10.5310      0.00000
     10      11.1482      0.00000
     11      11.6961      0.00000
     12      12.8223      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1216      2.00000
      3       2.5076      2.00000
      4       4.8519      2.00000
      5       5.9060      1.94197
      6       8.0833      0.00000
      7       8.3613      0.00000
      8       9.6027      0.00000
      9      10.3489      0.00000
     10      11.5366      0.00000
     11      11.7811      0.00000
     12      12.8219      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0251      2.00000
      2       1.1873      2.00000
      3       1.8363      2.00000
      4       4.8110      2.00000
      5       5.4350      1.99946
      6       8.3613      0.00000
      7       8.4694      0.00000
      8       8.9547      0.00000
      9      11.1889      0.00000
     10      11.8069      0.00000
     11      12.0399      0.00000
     12      12.1534      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6183      2.00000
      2       0.6293      2.00000
      3       1.9584      2.00000
      4       4.2136      2.00000
      5       5.7024      1.99223
      6       7.8204      0.00000
      7       8.8119      0.00000
      8       9.0950      0.00000
      9      10.8211      0.00000
     10      11.4642      0.00000
     11      12.1813      0.00000
     12      12.6144      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2334      2.00000
      2       0.0806      2.00000
      3       2.2406      2.00000
      4       3.7362      2.00000
      5       6.0560      1.76373
      6       7.2799      0.00007
      7       9.1361      0.00000
      8       9.3966      0.00000
      9      10.3090      0.00000
     10      11.0844      0.00000
     11      12.4033      0.00000
     12      12.8568      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0186      2.00000
      3       4.8480      2.00000
      4       5.5727      1.99787
      5       6.7495      0.01442
      6       7.4493      0.00001
      7       7.7200      0.00000
      8       7.8896      0.00000
      9       9.3443      0.00000
     10      11.6122      0.00000
     11      12.7654      0.00000
     12      13.0840      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3675      2.00000
      2       0.0255      2.00000
      3       4.8084      2.00000
      4       4.9874      1.99999
      5       6.8201      0.00715
      6       7.2151      0.00014
      7       7.8667      0.00000
      8       8.3029      0.00000
      9       9.7576      0.00000
     10      11.6873      0.00000
     11      12.0900      0.00000
     12      13.2288      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2152      2.00000
      2       0.1559      2.00000
      3       3.8548      2.00000
      4       5.0222      1.99999
      5       6.0476      1.78077
      6       7.2998      0.00006
      7       8.2580      0.00000
      8       9.2777      0.00000
      9      10.4511      0.00000
     10      10.9457      0.00000
     11      12.3339      0.00000
     12      13.1467      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       0.3653      2.00000
      3       2.8576      2.00000
      4       4.9216      2.00000
      5       5.4887      1.99908
      6       7.5278      0.00001
      7       8.5231      0.00000
      8       9.9325      0.00000
      9      10.3461      0.00000
     10      11.2557      0.00000
     11      12.3453      0.00000
     12      12.8042      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6186      2.00000
      2       0.6278      2.00000
      3       1.9602      2.00000
      4       4.2139      2.00000
      5       5.7017      1.99228
      6       7.8197      0.00000
      7       8.8222      0.00000
      8       9.0862      0.00000
      9      10.8173      0.00000
     10      11.4684      0.00000
     11      12.1831      0.00000
     12      12.6191      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.1969      2.00000
      2       0.7672      2.00000
      3       1.3397      2.00000
      4       3.5391      2.00000
      5       6.0851      1.69613
      6       8.0136      0.00000
      7       8.4362      0.00000
      8       9.2161      0.00000
      9      10.6899      0.00000
     10      10.9833      0.00000
     11      11.7551      0.00000
     12      13.9220      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7817      2.00000
      2       0.3752      2.00000
      3       1.3929      2.00000
      4       3.0890      2.00000
      5       6.4761      0.20116
      6       7.6006      0.00000
      7       8.5558      0.00000
      8       9.5862      0.00000
      9      10.1445      0.00000
     10      10.7933      0.00000
     11      11.6494      0.00000
     12      13.8552      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5654      2.00000
      3       5.2484      1.99992
      4       5.9980      1.86049
      5       6.3345      0.63108
      6       7.0944      0.00046
      7       7.6185      0.00000
      8       8.1181      0.00000
      9       8.6735      0.00000
     10      11.4398      0.00000
     11      13.1101      0.00000
     12      14.1414      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0135      2.00000
      2      -0.5225      2.00000
      3       5.2735      1.99989
      4       5.3143      1.99984
      5       6.1683      1.41658
      6       6.7922      0.00944
      7       8.3189      0.00000
      8       8.3855      0.00000
      9       9.0295      0.00000
     10      11.5643      0.00000
     11      12.3708      0.00000
     12      13.8884      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8561      2.00000
      2      -0.3954      2.00000
      3       4.2326      2.00000
      4       5.2823      1.99988
      5       5.5655      1.99802
      6       6.8030      0.00848
      7       8.5611      0.00000
      8       9.4192      0.00000
      9       9.9437      0.00000
     10      11.2873      0.00000
     11      11.9754      0.00000
     12      13.0462      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.5952      2.00000
      2      -0.1900      2.00000
      3       3.1970      2.00000
      4       4.5149      2.00000
      5       5.7224      1.99051
      6       6.9993      0.00120
      7       8.8218      0.00000
      8       9.9943      0.00000
      9      10.3154      0.00000
     10      11.2963      0.00000
     11      11.8076      0.00000
     12      13.0966      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2339      2.00000
      2       0.0793      2.00000
      3       2.2426      2.00000
      4       3.7366      2.00000
      5       6.0543      1.76731
      6       7.2808      0.00007
      7       9.1580      0.00000
      8       9.3746      0.00000
      9      10.3034      0.00000
     10      11.0910      0.00000
     11      12.4052      0.00000
     12      12.8633      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7819      2.00000
      2       0.3741      2.00000
      3       1.3943      2.00000
      4       3.0892      2.00000
      5       6.4750      0.20316
      6       7.6012      0.00000
      7       8.5592      0.00000
      8       9.5824      0.00000
      9      10.1408      0.00000
     10      10.7984      0.00000
     11      11.6492      0.00000
     12      13.8553      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.2966      2.00000
      2       0.5562      2.00000
      3       0.7566      2.00000
      4       2.6821      2.00000
      5       6.9202      0.00263
      6       7.8178      0.00000
      7       7.9637      0.00000
      8       9.7148      0.00000
      9      10.0882      0.00000
     10      10.8078      0.00000
     11      11.0564      0.00000
     12      13.7145      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7694      2.00000
      3       3.1260      2.00000
      4       4.9668      2.00000
      5       6.5703      0.08359
      6       7.9131      0.00000
      7       8.5963      0.00000
      8       9.6061      0.00000
      9      10.0257      0.00000
     10      10.9331      0.00000
     11      11.3353      0.00000
     12      12.6379      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8142      2.00000
      3       3.1484      2.00000
      4       4.3642      2.00000
      5       7.1889      0.00018
      6       8.0205      0.00000
      7       8.5016      0.00000
      8       9.1906      0.00000
      9       9.8994      0.00000
     10      10.6048      0.00000
     11      11.9378      0.00000
     12      13.1315      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7903      2.00000
      2       1.9387      2.00000
      3       3.0438      2.00000
      4       3.6111      2.00000
      5       7.6255      0.00000
      6       7.9994      0.00000
      7       8.6186      0.00000
      8       9.0846      0.00000
      9       9.3074      0.00000
     10      10.5950      0.00000
     11      12.7752      0.00000
     12      13.6455      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5455      2.00000
      2       1.9676      2.00000
      3       2.4556      2.00000
      4       3.6322      2.00000
      5       6.8636      0.00463
      6       7.9171      0.00000
      7       8.5396      0.00000
      8       9.1009      0.00000
      9      10.0714      0.00000
     10      10.9322      0.00000
     11      13.0320      0.00000
     12      13.1093      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2635      2.00000
      3       2.6055      2.00000
      4       3.8888      2.00000
      5       6.0115      1.84194
      6       7.3187      0.00005
      7       8.6468      0.00000
      8       9.4168      0.00000
      9      10.6282      0.00000
     10      11.8671      0.00000
     11      12.3527      0.00000
     12      12.6906      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8109      2.00000
      2       0.5038      2.00000
      3       2.9785      2.00000
      4       4.1980      2.00000
      5       5.2617      1.99990
      6       6.6654      0.03313
      7       8.9692      0.00000
      8       9.7769      0.00000
      9      10.8983      0.00000
     10      11.3849      0.00000
     11      12.0361      0.00000
     12      13.5837      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4378      2.00000
      2      -0.0559      2.00000
      3       3.3403      2.00000
      4       4.4074      2.00000
      5       4.7666      2.00000
      6       6.2227      1.17001
      7       9.2500      0.00000
      8      10.1394      0.00000
      9      10.8085      0.00000
     10      11.1122      0.00000
     11      11.5722      0.00000
     12      13.4997      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6592      2.00000
      2       0.8851      2.00000
      3       3.4289      2.00000
      4       5.3027      1.99986
      5       6.4571      0.23841
      6       7.4691      0.00001
      7       8.6797      0.00000
      8       8.8196      0.00000
      9      10.6530      0.00000
     10      11.2464      0.00000
     11      11.4919      0.00000
     12      12.5218      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9301      2.00000
      3       3.4597      2.00000
      4       4.6678      2.00000
      5       6.7367      0.01638
      6       7.8654      0.00000
      7       8.0797      0.00000
      8       9.1129      0.00000
      9      10.5317      0.00000
     10      11.1533      0.00000
     11      11.6948      0.00000
     12      12.8188      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4590      2.00000
      2       1.0618      2.00000
      3       3.3999      2.00000
      4       3.8514      2.00000
      5       6.7317      0.01721
      6       7.3090      0.00005
      7       8.9248      0.00000
      8       9.3971      0.00000
      9       9.6708      0.00000
     10      11.8287      0.00000
     11      12.0280      0.00000
     12      12.9237      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2120      2.00000
      2       1.2615      2.00000
      3       2.6077      2.00000
      4       3.8887      2.00000
      5       6.0113      1.84228
      6       7.3185      0.00005
      7       8.6497      0.00000
      8       9.4153      0.00000
      9      10.6349      0.00000
     10      11.8635      0.00000
     11      12.3449      0.00000
     12      12.6926      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       1.3435      2.00000
      3       1.9427      2.00000
      4       4.1195      2.00000
      5       5.2389      1.99992
      6       7.3387      0.00004
      7       8.0489      0.00000
      8       9.7313      0.00000
      9      11.2765      0.00000
     10      11.8866      0.00000
     11      12.5400      0.00000
     12      12.7938      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7738      2.00000
      3       2.0895      2.00000
      4       4.1379      2.00000
      5       4.8457      2.00000
      6       6.8529      0.00516
      7       8.1219      0.00000
      8      10.0387      0.00000
      9      10.6850      0.00000
     10      12.0011      0.00000
     11      12.8452      0.00000
     12      13.3157      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0771      2.00000
      2       0.2190      2.00000
      3       2.3902      2.00000
      4       3.7749      2.00000
      5       5.0147      1.99999
      6       6.3861      0.43173
      7       8.3403      0.00000
      8      10.0587      0.00000
      9      10.5431      0.00000
     10      11.6780      0.00000
     11      13.0059      0.00000
     12      13.6673      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2663      2.00000
      2       0.1110      2.00000
      3       3.8131      2.00000
      4       5.7186      1.99086
      5       5.9124      1.93827
      6       7.5830      0.00000
      7       7.8655      0.00000
      8       8.9566      0.00000
      9      10.1186      0.00000
     10      11.6310      0.00000
     11      12.2002      0.00000
     12      12.8456      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2153      2.00000
      2       0.1558      2.00000
      3       3.8517      2.00000
      4       5.0252      1.99999
      5       6.0461      1.78370
      6       7.3025      0.00006
      7       8.2631      0.00000
      8       9.2728      0.00000
      9      10.4534      0.00000
     10      10.9463      0.00000
     11      12.3301      0.00000
     12      13.1486      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0630      2.00000
      2       0.2885      2.00000
      3       3.8507      2.00000
      4       4.1406      2.00000
      5       5.8988      1.94590
      6       6.6920      0.02549
      7       9.3597      0.00000
      8       9.6959      0.00000
      9       9.9411      0.00000
     10      11.2580      0.00000
     11      12.1503      0.00000
     12      12.9855      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8114      2.00000
      2       0.5020      2.00000
      3       2.9809      2.00000
      4       4.1976      2.00000
      5       5.2614      1.99991
      6       6.6661      0.03292
      7       8.9736      0.00000
      8       9.7737      0.00000
      9      10.9050      0.00000
     10      11.3827      0.00000
     11      12.0379      0.00000
     12      13.5799      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4660      2.00000
      2       0.7723      2.00000
      3       2.0914      2.00000
      4       4.1380      2.00000
      5       4.8452      2.00000
      6       6.8531      0.00515
      7       8.1233      0.00000
      8      10.0379      0.00000
      9      10.6841      0.00000
     10      12.0035      0.00000
     11      12.8521      0.00000
     12      13.3130      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0435      2.00000
      2       0.9239      2.00000
      3       1.4703      2.00000
      4       3.5892      2.00000
      5       5.0886      1.99998
      6       6.9433      0.00209
      7       7.5407      0.00001
      8       9.8478      0.00000
      9      10.6270      0.00000
     10      12.2775      0.00000
     11      12.9047      0.00000
     12      14.0777      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6258      2.00000
      2       0.5226      2.00000
      3       1.5441      2.00000
      4       3.1494      2.00000
      5       5.4308      1.99948
      6       6.6097      0.05714
      7       7.5320      0.00001
      8       9.4953      0.00000
      9      10.9404      0.00000
     10      11.9962      0.00000
     11      12.9254      0.00000
     12      14.5566      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9087      2.00000
      2      -0.4390      2.00000
      3       4.1818      2.00000
      4       5.4020      1.99961
      5       6.1433      1.51439
      6       7.2411      0.00011
      7       7.8012      0.00000
      8       8.9638      0.00000
      9       9.8245      0.00000
     10      11.9789      0.00000
     11      11.9858      0.00000
     12      13.3967      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8562      2.00000
      2      -0.3955      2.00000
      3       4.2291      2.00000
      4       5.2828      1.99988
      5       5.5676      1.99797
      6       6.8042      0.00838
      7       8.5672      0.00000
      8       9.4198      0.00000
      9       9.9398      0.00000
     10      11.2880      0.00000
     11      11.9736      0.00000
     12      13.0412      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.6990      2.00000
      2      -0.2665      2.00000
      3       4.3451      2.00000
      4       4.3876      2.00000
      5       5.1942      1.99995
      6       6.2924      0.82489
      7       9.8249      0.00000
      8       9.8926      0.00000
      9      10.2719      0.00000
     10      10.5577      0.00000
     11      11.5891      0.00000
     12      12.9212      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4384      2.00000
      2      -0.0574      2.00000
      3       3.3429      2.00000
      4       4.4071      2.00000
      5       4.7651      2.00000
      6       6.2243      1.16244
      7       9.2562      0.00000
      8      10.1338      0.00000
      9      10.8044      0.00000
     10      11.1180      0.00000
     11      11.5777      0.00000
     12      13.5072      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0775      2.00000
      2       0.2176      2.00000
      3       2.3922      2.00000
      4       3.7751      2.00000
      5       5.0132      1.99999
      6       6.3873      0.42762
      7       8.3422      0.00000
      8      10.0579      0.00000
      9      10.5404      0.00000
     10      11.6801      0.00000
     11      13.0150      0.00000
     12      13.6664      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6259      2.00000
      2       0.5213      2.00000
      3       1.5455      2.00000
      4       3.1495      2.00000
      5       5.4298      1.99949
      6       6.6108      0.05654
      7       7.5324      0.00001
      8       9.4952      0.00000
      9      10.9390      0.00000
     10      11.9978      0.00000
     11      12.9253      0.00000
     12      14.5642      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1408      2.00000
      2       0.7132      2.00000
      3       0.9091      2.00000
      4       2.7419      2.00000
      5       5.8765      1.95647
      6       6.7442      0.01521
      7       6.9302      0.00238
      8       9.1431      0.00000
      9      11.3854      0.00000
     10      12.1311      0.00000
     11      12.3491      0.00000
     12      14.6302      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4128      2.00000
      2       1.0738      2.00000
      3       2.4672      2.00000
      4       5.5451      1.99838
      5       5.7106      1.99157
      6       7.5463      0.00001
      7       8.9128      0.00000
      8      10.0117      0.00000
      9      10.2125      0.00000
     10      11.0943      0.00000
     11      11.4310      0.00000
     12      12.6280      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3624      2.00000
      2       1.1212      2.00000
      3       2.5051      2.00000
      4       4.8545      2.00000
      5       5.9046      1.94277
      6       8.0967      0.00000
      7       8.3562      0.00000
      8       9.6038      0.00000
      9      10.3428      0.00000
     10      11.5428      0.00000
     11      11.7814      0.00000
     12      12.8257      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2122      2.00000
      2       1.2613      2.00000
      3       2.6055      2.00000
      4       3.8911      2.00000
      5       6.0097      1.84448
      6       7.3209      0.00005
      7       8.6507      0.00000
      8       9.4210      0.00000
      9      10.6277      0.00000
     10      11.8646      0.00000
     11      12.3500      0.00000
     12      12.6910      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9643      2.00000
      2       1.4800      2.00000
      3       2.5862      2.00000
      4       3.1542      2.00000
      5       5.9539      1.90793
      6       6.5484      0.10299
      7       7.8202      0.00000
      8      10.6622      0.00000
      9      10.8579      0.00000
     10      11.3774      0.00000
     11      12.5396      0.00000
     12      13.5743      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6251      2.00000
      2       1.6029      2.00000
      3       2.0820      2.00000
      4       3.2282      2.00000
      5       5.3103      1.99985
      6       6.3080      0.75053
      7       7.2562      0.00009
      8      10.3465      0.00000
      9      11.2286      0.00000
     10      12.2131      0.00000
     11      13.0098      0.00000
     12      13.9533      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2136      2.00000
      2       1.0097      2.00000
      3       2.2949      2.00000
      4       3.5083      2.00000
      5       4.5843      2.00000
      6       5.9188      1.93433
      7       7.2069      0.00015
      8       9.7498      0.00000
      9      11.6149      0.00000
     10      12.7697      0.00000
     11      13.6227      0.00000
     12      14.2420      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8179      2.00000
      2       0.4448      2.00000
      3       2.6359      2.00000
      4       3.7134      2.00000
      5       4.0850      2.00000
      6       5.5494      1.99831
      7       7.3391      0.00004
      8       9.3711      0.00000
      9      11.9781      0.00000
     10      12.8741      0.00000
     11      13.3003      0.00000
     12      14.9020      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0150      2.00000
      2       0.3188      2.00000
      3       2.8116      2.00000
      4       5.0227      1.99999
      5       5.9606      1.90193
      6       7.8139      0.00000
      7       8.1048      0.00000
      8       9.7748      0.00000
      9      10.5958      0.00000
     10      11.1167      0.00000
     11      12.1676      0.00000
     12      12.9258      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       0.3650      2.00000
      3       2.8550      2.00000
      4       4.9213      2.00000
      5       5.4904      1.99906
      6       7.5308      0.00001
      7       8.5285      0.00000
      8       9.9343      0.00000
      9      10.3466      0.00000
     10      11.2542      0.00000
     11      12.3457      0.00000
     12      12.8042      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8116      2.00000
      2       0.5018      2.00000
      3       2.9784      2.00000
      4       4.1999      2.00000
      5       5.2605      1.99991
      6       6.6678      0.03237
      7       8.9745      0.00000
      8       9.7803      0.00000
      9      10.8981      0.00000
     10      11.3866      0.00000
     11      12.0372      0.00000
     12      13.5789      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5598      2.00000
      2       0.7232      2.00000
      3       3.0412      2.00000
      4       3.3947      2.00000
      5       5.1057      1.99998
      6       6.0292      1.81416
      7       8.0360      0.00000
      8      10.4489      0.00000
      9      11.0969      0.00000
     10      11.5125      0.00000
     11      12.9366      0.00000
     12      13.9331      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2138      2.00000
      2       1.0081      2.00000
      3       2.2967      2.00000
      4       3.5081      2.00000
      5       4.5837      2.00000
      6       5.9198      1.93365
      7       7.2074      0.00015
      8       9.7501      0.00000
      9      11.6141      0.00000
     10      12.7775      0.00000
     11      13.6230      0.00000
     12      14.2342      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7896      2.00000
      2       1.1843      2.00000
      3       1.6791      2.00000
      4       3.5572      2.00000
      5       4.2328      2.00000
      6       5.9072      1.94129
      7       6.6360      0.04420
      8       9.1725      0.00000
      9      12.0188      0.00000
     10      13.6317      0.00000
     11      14.1972      0.00000
     12      14.3579      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3672      2.00000
      2       0.7646      2.00000
      3       1.7938      2.00000
      4       3.2305      2.00000
      5       4.4146      2.00000
      6       5.6387      1.99588
      7       6.5264      0.12675
      8       8.8311      0.00000
      9      12.3997      0.00000
     10      13.3741      0.00000
     11      14.3266      0.00000
     12      14.8137      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6480      2.00000
      2      -0.2349      2.00000
      3       3.1449      2.00000
      4       4.5129      2.00000
      5       6.3844      0.43723
      6       7.4825      0.00001
      7       8.0616      0.00000
      8       9.4726      0.00000
      9      10.9566      0.00000
     10      11.2476      0.00000
     11      12.3641      0.00000
     12      12.4847      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.5955      2.00000
      2      -0.1902      2.00000
      3       3.1941      2.00000
      4       4.5135      2.00000
      5       5.7263      1.99015
      6       7.0006      0.00118
      7       8.8278      0.00000
      8      10.0008      0.00000
      9      10.3171      0.00000
     10      11.2891      0.00000
     11      11.8070      0.00000
     12      13.0872      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4387      2.00000
      2      -0.0576      2.00000
      3       3.3402      2.00000
      4       4.4074      2.00000
      5       4.7670      2.00000
      6       6.2254      1.15680
      7       9.2570      0.00000
      8      10.1408      0.00000
      9      10.8094      0.00000
     10      11.1142      0.00000
     11      11.5721      0.00000
     12      13.5007      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1785      2.00000
      2       0.1579      2.00000
      3       3.5491      2.00000
      4       3.6006      2.00000
      5       4.3908      2.00000
      6       5.6755      1.99406
      7       8.2596      0.00000
      8      10.0638      0.00000
      9      11.5924      0.00000
     10      11.6452      0.00000
     11      12.2890      0.00000
     12      14.0132      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4433      2.00000
      3       2.6380      2.00000
      4       3.7130      2.00000
      5       4.0836      2.00000
      6       5.5514      1.99828
      7       7.3396      0.00004
      8       9.3715      0.00000
      9      11.9766      0.00000
     10      12.8768      0.00000
     11      13.3076      0.00000
     12      14.9082      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3673      2.00000
      2       0.7632      2.00000
      3       1.7955      2.00000
      4       3.2305      2.00000
      5       4.4135      2.00000
      6       5.6404      1.99581
      7       6.5261      0.12713
      8       8.8312      0.00000
      9      12.3987      0.00000
     10      13.3751      0.00000
     11      14.3273      0.00000
     12      14.8212      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1178      2.00000
      2       0.9740      2.00000
      3       1.1611      2.00000
      4       2.8317      2.00000
      5       4.8525      2.00000
      6       5.7057      1.99197
      7       5.9169      1.93549
      8       8.5234      0.00000
      9      12.8467      0.00000
     10      13.5729      0.00000
     11      13.7774      0.00000
     12      15.8040      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6703      2.00000
      2       0.5787      2.00000
      3       1.9136      2.00000
      4       4.2053      2.00000
      5       6.2949      0.81297
      6       8.1295      0.00000
      7       8.4289      0.00000
      8       9.6689      0.00000
      9      10.1379      0.00000
     10      11.5199      0.00000
     11      11.9925      0.00000
     12      12.4913      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6192      2.00000
      2       0.6273      2.00000
      3       1.9582      2.00000
      4       4.2127      2.00000
      5       5.7044      1.99207
      6       7.8230      0.00000
      7       8.8271      0.00000
      8       9.0881      0.00000
      9      10.8253      0.00000
     10      11.4678      0.00000
     11      12.1843      0.00000
     12      12.6118      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4665      2.00000
      2       0.7719      2.00000
      3       2.0894      2.00000
      4       4.1379      2.00000
      5       4.8467      2.00000
      6       6.8551      0.00504
      7       8.1247      0.00000
      8      10.0442      0.00000
      9      10.6860      0.00000
     10      12.0047      0.00000
     11      12.8460      0.00000
     12      13.3176      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2141      2.00000
      2       1.0079      2.00000
      3       2.2950      2.00000
      4       3.5097      2.00000
      5       4.5832      2.00000
      6       5.9211      1.93283
      7       7.2081      0.00015
      8       9.7509      0.00000
      9      11.6209      0.00000
     10      12.7709      0.00000
     11      13.6259      0.00000
     12      14.2349      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8669      2.00000
      2       1.3194      2.00000
      3       2.4222      2.00000
      4       2.8169      2.00000
      5       4.4997      2.00000
      6       5.2025      1.99995
      7       6.4042      0.37337
      8       9.0730      0.00000
      9      12.9888      0.00000
     10      13.3112      0.00000
     11      14.6428      0.00000
     12      14.6730      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4397      2.00000
      2       1.5462      2.00000
      3       1.9396      2.00000
      4       2.9889      2.00000
      5       4.0273      2.00000
      6       4.9526      2.00000
      7       5.8215      1.97466
      8       8.5463      0.00000
      9      13.5356      0.00000
     10      14.5151      0.00000
     11      15.1239      0.00000
     12      15.2189      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0090      2.00000
      2       1.0934      2.00000
      3       2.1365      2.00000
      4       3.2186      2.00000
      5       3.5691      2.00000
      6       4.7727      2.00000
      7       5.6016      1.99716
      8       8.2498      0.00000
      9      13.9401      0.00000
     10      14.7591      0.00000
     11      15.1559      0.00000
     12      15.7501      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2868      2.00000
      2       0.0323      2.00000
      3       2.1903      2.00000
      4       3.7179      2.00000
      5       6.7185      0.01963
      6       7.8112      0.00000
      7       8.4143      0.00000
      8       9.7730      0.00000
      9      10.0302      0.00000
     10      11.4239      0.00000
     11      11.6741      0.00000
     12      12.7843      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2346      2.00000
      2       0.0788      2.00000
      3       2.2404      2.00000
      4       3.7354      2.00000
      5       6.0578      1.75996
      6       7.2822      0.00007
      7       9.1636      0.00000
      8       9.3770      0.00000
      9      10.3124      0.00000
     10      11.0895      0.00000
     11      12.4090      0.00000
     12      12.8537      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0781      2.00000
      2       0.2172      2.00000
      3       2.3902      2.00000
      4       3.7741      2.00000
      5       5.0160      1.99999
      6       6.3887      0.42279
      7       8.3438      0.00000
      8      10.0607      0.00000
      9      10.5464      0.00000
     10      11.6839      0.00000
     11      13.0064      0.00000
     12      13.6704      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8186      2.00000
      2       0.4431      2.00000
      3       2.6362      2.00000
      4       3.7132      2.00000
      5       4.0849      2.00000
      6       5.5524      1.99826
      7       7.3404      0.00004
      8       9.3721      0.00000
      9      11.9840      0.00000
     10      12.8784      0.00000
     11      13.3014      0.00000
     12      14.9007      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4591      2.00000
      2       0.7451      2.00000
      3       2.9350      2.00000
      4       3.0021      2.00000
      5       3.7820      2.00000
      6       4.9686      1.99999
      7       6.4166      0.33722
      8       8.7336      0.00000
      9      13.4607      0.00000
     10      13.5817      0.00000
     11      14.1468      0.00000
     12      15.4905      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0089      2.00000
      2       1.0917      2.00000
      3       2.1384      2.00000
      4       3.2182      2.00000
      5       3.5679      2.00000
      6       4.7752      2.00000
      7       5.6007      1.99718
      8       8.2501      0.00000
      9      13.9393      0.00000
     10      14.7608      0.00000
     11      15.1649      0.00000
     12      15.7496      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4766      2.00000
      2       1.3365      2.00000
      3       1.5075      2.00000
      4       2.9335      2.00000
      5       3.9108      2.00000
      6       4.7492      2.00000
      7       4.9843      1.99999
      8       7.9841      0.00000
      9      14.3857      0.00000
     10      15.0553      0.00000
     11      15.2614      0.00000
     12      16.3982      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8352      2.00000
      2       0.3239      2.00000
      3       1.3422      2.00000
      4       3.0667      2.00000
      5       7.1352      0.00031
      6       8.2035      0.00000
      7       8.8523      0.00000
      8       9.2187      0.00000
      9       9.9535      0.00000
     10      10.6221      0.00000
     11      10.9036      0.00000
     12      13.4380      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7831      2.00000
      2       0.3733      2.00000
      3       1.3929      2.00000
      4       3.0883      2.00000
      5       6.4780      0.19781
      6       7.6027      0.00000
      7       8.5623      0.00000
      8       9.5873      0.00000
      9      10.1463      0.00000
     10      10.8007      0.00000
     11      11.6543      0.00000
     12      13.8551      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6270      2.00000
      2       0.5206      2.00000
      3       1.5443      2.00000
      4       3.1487      2.00000
      5       5.4321      1.99948
      6       6.6123      0.05572
      7       7.5346      0.00001
      8       9.4971      0.00000
      9      10.9449      0.00000
     10      12.0027      0.00000
     11      12.9312      0.00000
     12      14.5541      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3682      2.00000
      2       0.7627      2.00000
      3       1.7944      2.00000
      4       3.2299      2.00000
      5       4.4151      2.00000
      6       5.6416      1.99576
      7       6.5276      0.12531
      8       8.8322      0.00000
      9      12.4055      0.00000
     10      13.3803      0.00000
     11      14.3343      0.00000
     12      14.8113      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0094      2.00000
      2       1.0914      2.00000
      3       2.1377      2.00000
      4       3.2182      2.00000
      5       3.5685      2.00000
      6       4.7759      2.00000
      7       5.6015      1.99716
      8       8.2504      0.00000
      9      13.9468      0.00000
     10      14.7641      0.00000
     11      15.1582      0.00000
     12      15.7548      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4403      2.00000
      2       1.4821      2.00000
      3       2.5197      2.00000
      4       2.5980      2.00000
      5       3.3740      2.00000
      6       4.1248      2.00000
      7       4.7854      2.00000
      8       7.8191      0.00000
      9      15.4033      0.00000
     10      15.6136      0.00000
     11      15.9935      0.00000
     12      16.8482      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9277      2.00000
      2       1.7949      2.00000
      3       1.9314      2.00000
      4       2.9404      2.00000
      5       3.1606      2.00000
      6       3.8917      2.00000
      7       4.1591      2.00000
      8       7.5870      0.00000
      9      15.9357      0.00000
     10      16.4686      0.00000
     11      16.7113      0.00000
     12      16.8148      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264   0.000  -0.000  -0.000
  5.264  22.370   0.000  -0.000  -0.000
  0.000   0.000  -0.285   0.000  -0.000
 -0.000  -0.000   0.000  -0.285  -0.000
 -0.000  -0.000  -0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.075  -0.022  -0.007   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
 -0.007   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1728: real time    0.1728
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3421: real time    0.3421
    STRESS:  cpu time    4.1353: real time    4.1355
    FORCOR:  cpu time    0.0453: real time    0.0453
    FORHAR:  cpu time    0.0116: real time    0.0116
    MIXING:  cpu time    0.0060: real time    0.0060
    OFIELD:  cpu time    0.0001: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.34857   -72.37789   -72.31618     0.00000    -0.00000    -0.00000
  Hartree     1.13752     1.12704     1.13638    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42295   -27.42267   -27.42409    -0.00001    -0.00000     0.00000
  Local      -4.00624    -3.96092    -4.04326     0.00000     0.00000     0.00000
  n-local    58.91491    58.91329    58.92963     0.25615     0.02310     0.18976
  augment    -3.03541    -3.03502    -3.03609    -0.00000     0.00000     0.00000
  Kinetic    46.89408    46.88744    46.88416    -3.62001    -0.57636    -2.94399
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.02013     0.01805     0.01732     0.00000     0.00000     0.00000
  in kB       0.49405     0.44311     0.42516     0.00000     0.00000     0.00000
  external pressure =        0.45 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.109E-15 -.298E+00 -.134E-15   -.730E-15 0.282E+00 0.225E-16   0.562E-19 0.844E-01 0.525E-20   0.156E-03 -.531E-05 -.708E-16
   -.304E-14 0.101E+01 0.646E-07   -.289E-15 -.683E+00 -.304E-15   -.216E-18 -.525E+00 -.388E-19   -.113E-02 0.221E-03 -.541E-15
   -.385E-14 -.104E+01 -.895E-13   -.982E-17 0.845E+00 0.276E-15   -.508E-18 0.312E+00 0.592E-19   -.121E-02 -.697E-04 0.546E-15
   -.621E-15 0.401E+00 -.433E-14   0.889E-15 -.444E+00 -.170E-15   0.167E-18 0.604E-01 -.251E-19   0.121E-02 -.653E-04 0.539E-15
 -----------------------------------------------------------------------------------------------
   -.740E-14 0.676E-01 0.646E-07   -.140E-15 0.000E+00 -.175E-15   -.500E-18 -.678E-01 0.545E-21   -.964E-03 0.806E-04 0.474E-15
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000      0.068379     -0.000000
      2.01274      2.06342      0.00000         0.000000     -0.197984      0.000000
      2.01274      0.00000      2.01342         0.000000      0.112590     -0.000000
      0.00000      2.01342      2.01342        -0.000000      0.017016     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000964     -0.000053      0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54875046 eV

  energy  without entropy=      -13.50870165  energy(sigma->0) =      -13.52872605
 
 d Force = 0.1080114E-04[-0.990E-02, 0.992E-02]  d Energy = 0.7123357E-05 0.368E-05
 d Force = 0.4891051E-05[-0.341E-01, 0.342E-01]  d Ewald  = 0.4905323E-05-0.143E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0550: real time    0.0550


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:  10/ 13
  Displacement:        1/  2
  Total:              19/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.461538  0.000000 -0.153846      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.153846  0.000000 -0.307692      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.230769  0.000000 -0.307692      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.307692  0.000000 -0.307692      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.384615  0.000000 -0.307692      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.384615  0.000000 -0.384615      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.153846  0.000000 -0.461538      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.230769  0.000000 -0.461538      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.307692  0.000000 -0.461538      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.384615  0.000000 -0.461538      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.000000  0.076923 -0.153846      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.076923  0.076923 -0.153846      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.153846  0.076923 -0.153846      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.230769  0.076923 -0.153846      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.307692  0.076923 -0.153846      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.384615  0.076923 -0.153846      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.461538  0.076923 -0.153846      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.000000  0.076923 -0.230769      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.076923  0.076923 -0.230769      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.153846  0.076923 -0.230769      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.230769  0.076923 -0.230769      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.307692  0.076923 -0.230769      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.384615  0.076923 -0.230769      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.461538  0.076923 -0.230769      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.000000  0.076923 -0.307692      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.076923  0.076923 -0.307692      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.153846  0.076923 -0.307692      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.230769  0.076923 -0.307692      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.307692  0.076923 -0.307692      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.384615  0.076923 -0.307692      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.461538  0.076923 -0.307692      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.000000  0.076923 -0.384615      4.000000
  0.076923  0.384615  0.076923      8.000000
  0.076923  0.076923 -0.384615      8.000000
  0.153846  0.384615  0.076923      8.000000
  0.153846  0.076923 -0.384615      8.000000
  0.230769  0.384615  0.076923      8.000000
  0.230769  0.076923 -0.384615      8.000000
  0.307692  0.384615  0.076923      8.000000
  0.307692  0.076923 -0.384615      8.000000
  0.384615  0.384615  0.076923      8.000000
  0.384615  0.076923 -0.384615      8.000000
  0.461538  0.384615  0.076923      8.000000
  0.461538  0.076923 -0.384615      8.000000
  0.000000  0.461538  0.076923      4.000000
  0.000000  0.076923 -0.461538      4.000000
  0.076923  0.461538  0.076923      8.000000
  0.076923  0.076923 -0.461538      8.000000
  0.153846  0.461538  0.076923      8.000000
  0.153846  0.076923 -0.461538      8.000000
  0.230769  0.461538  0.076923      8.000000
  0.230769  0.076923 -0.461538      8.000000
  0.307692  0.461538  0.076923      8.000000
  0.307692  0.076923 -0.461538      8.000000
  0.384615  0.461538  0.076923      8.000000
  0.384615  0.076923 -0.461538      8.000000
  0.461538  0.461538  0.076923      8.000000
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  0.038218  0.038205 -0.076411      8.000000
  0.057327  0.076411  0.038205      8.000000
  0.057327  0.038205 -0.076411      8.000000
  0.076436  0.076411  0.038205      8.000000
  0.076436  0.038205 -0.076411      8.000000
  0.095545  0.076411  0.038205      8.000000
  0.095545  0.038205 -0.076411      8.000000
  0.114654  0.076411  0.038205      8.000000
  0.114654  0.038205 -0.076411      8.000000
  0.000000  0.095513  0.038205      4.000000
  0.000000  0.038205 -0.095513      4.000000
  0.019109  0.095513  0.038205      8.000000
  0.019109  0.038205 -0.095513      8.000000
  0.038218  0.095513  0.038205      8.000000
  0.038218  0.038205 -0.095513      8.000000
  0.057327  0.095513  0.038205      8.000000
  0.057327  0.038205 -0.095513      8.000000
  0.076436  0.095513  0.038205      8.000000
  0.076436  0.038205 -0.095513      8.000000
  0.095545  0.095513  0.038205      8.000000
  0.095545  0.038205 -0.095513      8.000000
  0.114654  0.095513  0.038205      8.000000
  0.114654  0.038205 -0.095513      8.000000
  0.000000  0.114616  0.038205      4.000000
  0.000000  0.038205 -0.114616      4.000000
  0.019109  0.114616  0.038205      8.000000
  0.019109  0.038205 -0.114616      8.000000
  0.038218  0.114616  0.038205      8.000000
  0.038218  0.038205 -0.114616      8.000000
  0.057327  0.114616  0.038205      8.000000
  0.057327  0.038205 -0.114616      8.000000
  0.076436  0.114616  0.038205      8.000000
  0.076436  0.038205 -0.114616      8.000000
  0.095545  0.114616  0.038205      8.000000
  0.095545  0.038205 -0.114616      8.000000
  0.114654  0.114616  0.038205      8.000000
  0.114654  0.038205 -0.114616      8.000000
  0.000000  0.057308  0.057308      4.000000
  0.019109  0.057308  0.057308      8.000000
  0.038218  0.057308  0.057308      8.000000
  0.057327  0.057308  0.057308      8.000000
  0.076436  0.057308  0.057308      8.000000
  0.095545  0.057308  0.057308      8.000000
  0.114654  0.057308  0.057308      8.000000
  0.000000  0.076411  0.057308      4.000000
  0.000000  0.057308 -0.076411      4.000000
  0.019109  0.076411  0.057308      8.000000
  0.019109  0.057308 -0.076411      8.000000
  0.038218  0.076411  0.057308      8.000000
  0.038218  0.057308 -0.076411      8.000000
  0.057327  0.076411  0.057308      8.000000
  0.057327  0.057308 -0.076411      8.000000
  0.076436  0.076411  0.057308      8.000000
  0.076436  0.057308 -0.076411      8.000000
  0.095545  0.076411  0.057308      8.000000
  0.095545  0.057308 -0.076411      8.000000
  0.114654  0.076411  0.057308      8.000000
  0.114654  0.057308 -0.076411      8.000000
  0.000000  0.095513  0.057308      4.000000
  0.000000  0.057308 -0.095513      4.000000
  0.019109  0.095513  0.057308      8.000000
  0.019109  0.057308 -0.095513      8.000000
  0.038218  0.095513  0.057308      8.000000
  0.038218  0.057308 -0.095513      8.000000
  0.057327  0.095513  0.057308      8.000000
  0.057327  0.057308 -0.095513      8.000000
  0.076436  0.095513  0.057308      8.000000
  0.076436  0.057308 -0.095513      8.000000
  0.095545  0.095513  0.057308      8.000000
  0.095545  0.057308 -0.095513      8.000000
  0.114654  0.095513  0.057308      8.000000
  0.114654  0.057308 -0.095513      8.000000
  0.000000  0.114616  0.057308      4.000000
  0.000000  0.057308 -0.114616      4.000000
  0.019109  0.114616  0.057308      8.000000
  0.019109  0.057308 -0.114616      8.000000
  0.038218  0.114616  0.057308      8.000000
  0.038218  0.057308 -0.114616      8.000000
  0.057327  0.114616  0.057308      8.000000
  0.057327  0.057308 -0.114616      8.000000
  0.076436  0.114616  0.057308      8.000000
  0.076436  0.057308 -0.114616      8.000000
  0.095545  0.114616  0.057308      8.000000
  0.095545  0.057308 -0.114616      8.000000
  0.114654  0.114616  0.057308      8.000000
  0.114654  0.057308 -0.114616      8.000000
  0.000000  0.076411  0.076411      4.000000
  0.019109  0.076411  0.076411      8.000000
  0.038218  0.076411  0.076411      8.000000
  0.057327  0.076411  0.076411      8.000000
  0.076436  0.076411  0.076411      8.000000
  0.095545  0.076411  0.076411      8.000000
  0.114654  0.076411  0.076411      8.000000
  0.000000  0.095513  0.076411      4.000000
  0.000000  0.076411 -0.095513      4.000000
  0.019109  0.095513  0.076411      8.000000
  0.019109  0.076411 -0.095513      8.000000
  0.038218  0.095513  0.076411      8.000000
  0.038218  0.076411 -0.095513      8.000000
  0.057327  0.095513  0.076411      8.000000
  0.057327  0.076411 -0.095513      8.000000
  0.076436  0.095513  0.076411      8.000000
  0.076436  0.076411 -0.095513      8.000000
  0.095545  0.095513  0.076411      8.000000
  0.095545  0.076411 -0.095513      8.000000
  0.114654  0.095513  0.076411      8.000000
  0.114654  0.076411 -0.095513      8.000000
  0.000000  0.114616  0.076411      4.000000
  0.000000  0.076411 -0.114616      4.000000
  0.019109  0.114616  0.076411      8.000000
  0.019109  0.076411 -0.114616      8.000000
  0.038218  0.114616  0.076411      8.000000
  0.038218  0.076411 -0.114616      8.000000
  0.057327  0.114616  0.076411      8.000000
  0.057327  0.076411 -0.114616      8.000000
  0.076436  0.114616  0.076411      8.000000
  0.076436  0.076411 -0.114616      8.000000
  0.095545  0.114616  0.076411      8.000000
  0.095545  0.076411 -0.114616      8.000000
  0.114654  0.114616  0.076411      8.000000
  0.114654  0.076411 -0.114616      8.000000
  0.000000  0.095513  0.095513      4.000000
  0.019109  0.095513  0.095513      8.000000
  0.038218  0.095513  0.095513      8.000000
  0.057327  0.095513  0.095513      8.000000
  0.076436  0.095513  0.095513      8.000000
  0.095545  0.095513  0.095513      8.000000
  0.114654  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      4.000000
  0.000000  0.095513 -0.114616      4.000000
  0.019109  0.114616  0.095513      8.000000
  0.019109  0.095513 -0.114616      8.000000
  0.038218  0.114616  0.095513      8.000000
  0.038218  0.095513 -0.114616      8.000000
  0.057327  0.114616  0.095513      8.000000
  0.057327  0.095513 -0.114616      8.000000
  0.076436  0.114616  0.095513      8.000000
  0.076436  0.095513 -0.114616      8.000000
  0.095545  0.114616  0.095513      8.000000
  0.095545  0.095513 -0.114616      8.000000
  0.114654  0.114616  0.095513      8.000000
  0.114654  0.095513 -0.114616      8.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.114616      8.000000
  0.038218  0.114616  0.114616      8.000000
  0.057327  0.114616  0.114616      8.000000
  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.4370: real time    0.5597
    FEWALD:  cpu time    0.0033: real time    0.0033
    GENKIN:  cpu time    0.0965: real time    0.0965
    ORTHCH:  cpu time    2.1998: real time    2.1999
     LOOP+:  cpu time  150.6849: real time  150.8768


--------------------------------------- Iteration     21(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0487: real time    0.0499
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   22.0867: real time   22.0986
       DOS:  cpu time    0.0167: real time    0.0167
    CHARGE:  cpu time    0.1720: real time    0.1720
    MIXING:  cpu time    0.0036: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time   22.3311: real time   22.3442

 eigenvalue-minimisations  :  8400
 total energy-change (2. order) :-0.6571705E-03  (-0.8906293E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060797 magnetization 

 Broyden mixing:
  rms(total) = 0.24223E-01    rms(broyden)= 0.24222E-01
  rms(prec ) = 0.75681E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.39233344
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80192467
  PAW double counting   =       428.80524718     -327.45824032
  entropy T*S    EENTRO =        -0.04002600
  eigenvalues    EBANDS =        22.57817995
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54940743 eV

  energy without entropy =      -13.50938143  energy(sigma->0) =      -13.52939443


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0525: real time    0.0529
    SETDIJ:  cpu time    0.0036: real time    0.0036
     EDDAV:  cpu time   23.8736: real time   23.8841
       DOS:  cpu time    0.0162: real time    0.0162
    CHARGE:  cpu time    0.1730: real time    0.1729
    MIXING:  cpu time    0.0032: real time    0.0032
    --------------------------------------------
      LOOP:  cpu time   24.1220: real time   24.1329

 eigenvalue-minimisations  : 10404
 total energy-change (2. order) : 0.2691156E-03  (-0.2679189E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060626 magnetization 

 Broyden mixing:
  rms(total) = 0.12679E-01    rms(broyden)= 0.12679E-01
  rms(prec ) = 0.34486E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8923
  0.8923

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.39585755
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80185951
  PAW double counting   =       429.44719279     -328.10016629
  entropy T*S    EENTRO =        -0.04003867
  eigenvalues    EBANDS =        22.58190108
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54913831 eV

  energy without entropy =      -13.50909964  energy(sigma->0) =      -13.52911898


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0499: real time    0.0505
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   23.6510: real time   23.6596
       DOS:  cpu time    0.0151: real time    0.0151
    CHARGE:  cpu time    0.1746: real time    0.1746
    MIXING:  cpu time    0.0053: real time    0.0053
    --------------------------------------------
      LOOP:  cpu time   23.8994: real time   23.9087

 eigenvalue-minimisations  :  9532
 total energy-change (2. order) : 0.4265536E-03  (-0.2609260E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060450 magnetization 

 Broyden mixing:
  rms(total) = 0.52512E-02    rms(broyden)= 0.52512E-02
  rms(prec ) = 0.86158E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5399
  1.1397  1.9400

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.40027397
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167294
  PAW double counting   =       428.53180772     -327.18484457
  entropy T*S    EENTRO =        -0.04004804
  eigenvalues    EBANDS =        22.58663018
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54871176 eV

  energy without entropy =      -13.50866372  energy(sigma->0) =      -13.52868774


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0502: real time    0.0505
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   25.0843: real time   25.0970
       DOS:  cpu time    0.0158: real time    0.0158
    CHARGE:  cpu time    0.1743: real time    0.1743
    MIXING:  cpu time    0.0049: real time    0.0049
    --------------------------------------------
      LOOP:  cpu time   25.3331: real time   25.3461

 eigenvalue-minimisations  : 10324
 total energy-change (2. order) :-0.3180054E-04  (-0.1955249E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060280 magnetization 

 Broyden mixing:
  rms(total) = 0.25836E-02    rms(broyden)= 0.25836E-02
  rms(prec ) = 0.44557E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6692
  1.0309  1.5229  2.4538

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.40065577
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80168050
  PAW double counting   =       428.41613520     -327.06915327
  entropy T*S    EENTRO =        -0.04004852
  eigenvalues    EBANDS =        22.58696944
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54874356 eV

  energy without entropy =      -13.50869504  energy(sigma->0) =      -13.52871930


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0513: real time    0.0517
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   24.2999: real time   24.3104
       DOS:  cpu time    0.0150: real time    0.0150
    --------------------------------------------
      LOOP:  cpu time   24.3693: real time   24.3802

 eigenvalue-minimisations  :  9816
 total energy-change (2. order) :-0.6829875E-05  (-0.8511435E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060280 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04254755
  -Hartree energ DENC   =        -3.40101232
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167545
  PAW double counting   =       428.65483362     -327.30783445
  entropy T*S    EENTRO =        -0.04004890
  eigenvalues    EBANDS =        22.58729724
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54875039 eV

  energy without entropy =      -13.50870149  energy(sigma->0) =      -13.52872594


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2475       2 -74.2394       3 -74.2386       4 -74.2401
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5664     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6247      2.00000
      2       4.3271      2.00000
      3       4.3275      2.00000
      4       4.3326      2.00000
      5       5.5480      1.99834
      6       5.5546      1.99822
      7       7.5999      0.00000
      8      12.4870      0.00000
      9      12.5081      0.00000
     10      12.5174      0.00000
     11      12.8144      0.00000
     12      12.8291      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6435      2.00000
      3       4.3761      2.00000
      4       4.3785      2.00000
      5       5.6016      1.99716
      6       6.1566      1.46398
      7       7.8008      0.00000
      8      11.5722      0.00000
      9      11.5774      0.00000
     10      12.1708      0.00000
     11      12.8550      0.00000
     12      12.9908      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4282      2.00000
      2       2.6149      2.00000
      3       4.5229      2.00000
      4       4.5253      2.00000
      5       5.7600      1.98621
      6       6.7582      0.01323
      7       8.5738      0.00000
      8      10.4565      0.00000
      9      10.4600      0.00000
     10      11.4069      0.00000
     11      12.8111      0.00000
     12      13.0013      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1865      2.00000
      2       1.6214      2.00000
      3       4.7662      2.00000
      4       4.7687      2.00000
      5       6.0229      1.82447
      6       7.0415      0.00078
      7       9.4204      0.00000
      8       9.4223      0.00000
      9       9.8459      0.00000
     10      10.5265      0.00000
     11      12.3281      0.00000
     12      13.2315      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8583      2.00000
      2       0.7171      2.00000
      3       5.1024      1.99998
      4       5.1049      1.99998
      5       6.3885      0.42347
      6       7.2156      0.00014
      7       8.4855      0.00000
      8       8.4884      0.00000
      9       9.6535      0.00000
     10      11.2329      0.00000
     11      12.0134      0.00000
     12      13.5405      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4687      2.00000
      2      -0.0604      2.00000
      3       5.5189      1.99876
      4       5.5216      1.99872
      5       6.8531      0.00514
      6       7.3400      0.00004
      7       7.6687      0.00000
      8       7.6735      0.00000
      9       8.8359      0.00000
     10      11.4224      0.00000
     11      13.1397      0.00000
     12      13.8881      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1175      2.00000
      2      -0.6064      2.00000
      3       5.9442      1.91614
      4       5.9475      1.91340
      5       7.0390      0.00080
      6       7.0430      0.00077
      7       7.4117      0.00002
      8       7.4141      0.00002
      9       8.1023      0.00000
     10      11.2696      0.00000
     11      14.1640      0.00000
     12      14.5250      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6403      2.00000
      3       4.3761      2.00000
      4       4.3816      2.00000
      5       5.6046      1.99707
      6       6.1558      1.46717
      7       7.7985      0.00000
      8      11.5689      0.00000
      9      11.5759      0.00000
     10      12.1744      0.00000
     11      12.8610      0.00000
     12      12.9901      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5627      2.00000
      3       3.8413      2.00000
      4       4.4251      2.00000
      5       5.9330      1.92467
      6       6.5063      0.15281
      7       7.9521      0.00000
      8      10.8403      0.00000
      9      11.4662      0.00000
     10      11.8648      0.00000
     11      12.3604      0.00000
     12      12.8501      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6472      2.00000
      3       3.8816      2.00000
      4       4.5719      2.00000
      5       6.1445      1.50997
      6       7.1311      0.00032
      7       8.6221      0.00000
      8       9.8319      0.00000
      9      10.4968      0.00000
     10      11.7940      0.00000
     11      11.8406      0.00000
     12      12.8802      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6626      2.00000
      3       4.1159      2.00000
      4       4.8151      2.00000
      5       6.3888      0.42252
      6       7.4326      0.00002
      7       8.8255      0.00000
      8       9.4673      0.00000
      9       9.9062      0.00000
     10      10.9719      0.00000
     11      12.0646      0.00000
     12      12.5047      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7607      2.00000
      3       4.4452      2.00000
      4       5.1512      1.99997
      5       6.6777      0.02935
      6       7.5801      0.00000
      7       8.0379      0.00000
      8       8.5337      0.00000
      9      10.1184      0.00000
     10      11.3457      0.00000
     11      12.1159      0.00000
     12      12.3822      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4178      2.00000
      2      -0.0165      2.00000
      3       4.8499      2.00000
      4       5.5676      1.99798
      5       6.7503      0.01432
      6       7.4466      0.00001
      7       7.7174      0.00000
      8       7.8863      0.00000
      9       9.3430      0.00000
     10      11.6137      0.00000
     11      12.7630      0.00000
     12      13.0935      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0650      2.00000
      2      -0.5637      2.00000
      3       5.2512      1.99991
      4       5.9926      1.86730
      5       6.3354      0.62728
      6       7.0921      0.00047
      7       7.6134      0.00000
      8       8.1158      0.00000
      9       8.6722      0.00000
     10      11.4412      0.00000
     11      13.1085      0.00000
     12      14.1431      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6119      2.00000
      3       4.5227      2.00000
      4       4.5282      2.00000
      5       5.7629      1.98581
      6       6.7616      0.01280
      7       8.5661      0.00000
      8      10.4539      0.00000
      9      10.4592      0.00000
     10      11.4113      0.00000
     11      12.8135      0.00000
     12      13.0044      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6444      2.00000
      3       3.8846      2.00000
      4       4.5717      2.00000
      5       6.1453      1.50716
      6       7.1359      0.00031
      7       8.6151      0.00000
      8       9.8324      0.00000
      9      10.4943      0.00000
     10      11.7964      0.00000
     11      11.8438      0.00000
     12      12.8799      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5808      2.00000
      3       3.0733      2.00000
      4       4.7184      2.00000
      5       6.4082      0.36136
      6       8.0476      0.00000
      7       8.6500      0.00000
      8       9.1626      0.00000
      9      10.4885      0.00000
     10      10.8511      0.00000
     11      11.8456      0.00000
     12      12.6346      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2       1.7721      2.00000
      3       3.1273      2.00000
      4       4.9615      2.00000
      5       6.5669      0.08638
      6       7.9150      0.00000
      7       8.5942      0.00000
      8       9.6035      0.00000
      9      10.0336      0.00000
     10      10.9306      0.00000
     11      11.3322      0.00000
     12      12.6390      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6587      2.00000
      2       0.8875      2.00000
      3       3.4302      2.00000
      4       5.2974      1.99986
      5       6.4571      0.23827
      6       7.4664      0.00001
      7       8.6773      0.00000
      8       8.8173      0.00000
      9      10.6499      0.00000
     10      11.2437      0.00000
     11      11.5007      0.00000
     12      12.5248      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2656      2.00000
      2       0.1131      2.00000
      3       3.8148      2.00000
      4       5.7135      1.99132
      5       5.9137      1.93749
      6       7.5783      0.00000
      7       7.8629      0.00000
      8       8.9536      0.00000
      9      10.1158      0.00000
     10      11.6288      0.00000
     11      12.2047      0.00000
     12      12.8493      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9078      2.00000
      2      -0.4373      2.00000
      3       4.1842      2.00000
      4       5.4027      1.99961
      5       6.1378      1.53444
      6       7.2388      0.00011
      7       7.7962      0.00000
      8       8.9600      0.00000
      9       9.8222      0.00000
     10      11.9830      0.00000
     11      11.9843      0.00000
     12      13.3990      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6189      2.00000
      3       4.7656      2.00000
      4       4.7713      2.00000
      5       6.0256      1.82016
      6       7.0465      0.00075
      7       9.4187      0.00000
      8       9.4235      0.00000
      9       9.8265      0.00000
     10      10.5394      0.00000
     11      12.3310      0.00000
     12      13.2374      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6602      2.00000
      3       4.1188      2.00000
      4       4.8146      2.00000
      5       6.3893      0.42071
      6       7.4399      0.00001
      7       8.8240      0.00000
      8       9.4657      0.00000
      9       9.8946      0.00000
     10      10.9788      0.00000
     11      12.0676      0.00000
     12      12.5080      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7700      2.00000
      3       3.1297      2.00000
      4       4.9612      2.00000
      5       6.5669      0.08633
      6       7.9171      0.00000
      7       8.5983      0.00000
      8       9.6021      0.00000
      9      10.0245      0.00000
     10      10.9326      0.00000
     11      11.3360      0.00000
     12      12.6390      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7447      2.00000
      2       1.7599      2.00000
      3       2.3779      2.00000
      4       5.2041      1.99995
      5       6.3584      0.53269
      6       7.4618      0.00001
      7       9.7033      0.00000
      8       9.7346      0.00000
      9      10.0273      0.00000
     10      10.3562      0.00000
     11      11.2956      0.00000
     12      12.4490      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4123      2.00000
      2       1.0759      2.00000
      3       2.4689      2.00000
      4       5.5397      1.99847
      5       5.7123      1.99143
      6       7.5414      0.00001
      7       8.9100      0.00000
      8      10.0070      0.00000
      9      10.2104      0.00000
     10      11.0880      0.00000
     11      11.4418      0.00000
     12      12.6303      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0144      2.00000
      2       0.3209      2.00000
      3       2.8134      2.00000
      4       5.0240      1.99999
      5       5.9552      1.90681
      6       7.8088      0.00000
      7       8.1023      0.00000
      8       9.7698      0.00000
      9      10.5938      0.00000
     10      11.1095      0.00000
     11      12.1752      0.00000
     12      12.9231      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6471      2.00000
      2      -0.2331      2.00000
      3       3.1474      2.00000
      4       4.5135      2.00000
      5       6.3786      0.45759
      6       7.4804      0.00001
      7       8.0566      0.00000
      8       9.4673      0.00000
      9      10.9555      0.00000
     10      11.2379      0.00000
     11      12.3601      0.00000
     12      12.4942      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7152      2.00000
      3       5.1013      1.99998
      4       5.1071      1.99998
      5       6.3909      0.41553
      6       7.2212      0.00013
      7       8.4847      0.00000
      8       8.4892      0.00000
      9       9.6510      0.00000
     10      11.2315      0.00000
     11      12.0142      0.00000
     12      13.5459      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       0.7588      2.00000
      3       4.4477      2.00000
      4       5.1502      1.99997
      5       6.6780      0.02926
      6       7.5886      0.00000
      7       8.0366      0.00000
      8       8.5330      0.00000
      9      10.1155      0.00000
     10      11.3444      0.00000
     11      12.1180      0.00000
     12      12.3847      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6592      2.00000
      2       0.8858      2.00000
      3       3.4325      2.00000
      4       5.2966      1.99987
      5       6.4581      0.23615
      6       7.4667      0.00001
      7       8.6768      0.00000
      8       8.8230      0.00000
      9      10.6466      0.00000
     10      11.2452      0.00000
     11      11.4987      0.00000
     12      12.5287      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4126      2.00000
      2       1.0745      2.00000
      3       2.4705      2.00000
      4       5.5392      1.99848
      5       5.7129      1.99137
      6       7.5412      0.00001
      7       8.9098      0.00000
      8      10.0106      0.00000
      9      10.2110      0.00000
     10      11.0939      0.00000
     11      11.4334      0.00000
     12      12.6294      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0759      2.00000
      2       1.1345      2.00000
      3       1.8009      2.00000
      4       4.9127      2.00000
      5       5.8743      1.95741
      6       7.7987      0.00000
      7       9.1139      0.00000
      8       9.4000      0.00000
      9      10.4683      0.00000
     10      11.3153      0.00000
     11      11.9624      0.00000
     12      12.7766      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6697      2.00000
      2       0.5805      2.00000
      3       1.9160      2.00000
      4       4.2065      2.00000
      5       6.2892      0.84081
      6       8.1242      0.00000
      7       8.4261      0.00000
      8       9.6677      0.00000
      9      10.1320      0.00000
     10      11.5068      0.00000
     11      11.9892      0.00000
     12      12.5051      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2863      2.00000
      2       0.0342      2.00000
      3       2.1930      2.00000
      4       3.7183      2.00000
      5       6.7119      0.02094
      6       7.8095      0.00000
      7       8.4094      0.00000
      8       9.7670      0.00000
      9      10.0299      0.00000
     10      11.4192      0.00000
     11      11.6572      0.00000
     12      12.8010      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4697      2.00000
      2      -0.0617      2.00000
      3       5.5168      1.99878
      4       5.5230      1.99870
      5       6.8555      0.00502
      6       7.3470      0.00004
      7       7.6692      0.00000
      8       7.6732      0.00000
      9       8.8368      0.00000
     10      11.4261      0.00000
     11      13.1321      0.00000
     12      13.8917      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8518      2.00000
      4       5.5656      1.99802
      5       6.7528      0.01397
      6       7.4474      0.00001
      7       7.7180      0.00000
      8       7.8903      0.00000
      9       9.3450      0.00000
     10      11.6180      0.00000
     11      12.7646      0.00000
     12      13.0862      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2665      2.00000
      2       0.1120      2.00000
      3       3.8166      2.00000
      4       5.7116      1.99148
      5       5.9158      1.93618
      6       7.5776      0.00000
      7       7.8637      0.00000
      8       8.9568      0.00000
      9      10.1206      0.00000
     10      11.6294      0.00000
     11      12.2100      0.00000
     12      12.8435      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0151      2.00000
      2       0.3200      2.00000
      3       2.8147      2.00000
      4       5.0254      1.99999
      5       5.9537      1.90816
      6       7.8083      0.00000
      7       8.1034      0.00000
      8       9.7693      0.00000
      9      10.5935      0.00000
     10      11.1241      0.00000
     11      12.1648      0.00000
     12      12.9253      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6702      2.00000
      2       0.5799      2.00000
      3       1.9167      2.00000
      4       4.2072      2.00000
      5       6.2882      0.84561
      6       8.1239      0.00000
      7       8.4277      0.00000
      8       9.6665      0.00000
      9      10.1306      0.00000
     10      11.5158      0.00000
     11      11.9904      0.00000
     12      12.5006      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2490      2.00000
      2       0.7143      2.00000
      3       1.2985      2.00000
      4       3.5181      2.00000
      5       6.7028      0.02292
      6       8.5001      0.00000
      7       8.7208      0.00000
      8       8.9564      0.00000
      9      10.1836      0.00000
     10      11.0374      0.00000
     11      11.1887      0.00000
     12      13.5187      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8352      2.00000
      2       0.3259      2.00000
      3       1.3458      2.00000
      4       3.0669      2.00000
      5       7.1271      0.00033
      6       8.2023      0.00000
      7       8.8473      0.00000
      8       9.2203      0.00000
      9       9.9473      0.00000
     10      10.6164      0.00000
     11      10.8954      0.00000
     12      13.4390      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1192      2.00000
      2      -0.6070      2.00000
      3       5.9399      1.91949
      4       5.9472      1.91370
      5       7.0458      0.00075
      6       7.0487      0.00073
      7       7.4051      0.00002
      8       7.4194      0.00002
      9       8.1064      0.00000
     10      11.2735      0.00000
     11      14.1663      0.00000
     12      14.5224      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5643      2.00000
      3       5.2519      1.99991
      4       5.9884      1.87241
      5       6.3399      0.60818
      6       7.0950      0.00046
      7       7.6124      0.00000
      8       8.1162      0.00000
      9       8.6797      0.00000
     10      11.4456      0.00000
     11      13.1088      0.00000
     12      14.1366      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9092      2.00000
      2      -0.4378      2.00000
      3       4.1851      2.00000
      4       5.4059      1.99960
      5       6.1338      1.54864
      6       7.2419      0.00011
      7       7.7952      0.00000
      8       8.9586      0.00000
      9       9.8330      0.00000
     10      11.9835      0.00000
     11      11.9882      0.00000
     12      13.3983      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6484      2.00000
      2      -0.2333      2.00000
      3       3.1480      2.00000
      4       4.5157      2.00000
      5       6.3749      0.47074
      6       7.4838      0.00001
      7       8.0558      0.00000
      8       9.4660      0.00000
      9      10.9537      0.00000
     10      11.2562      0.00000
     11      12.3639      0.00000
     12      12.4786      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2873      2.00000
      2       0.0343      2.00000
      3       2.1933      2.00000
      4       3.7197      2.00000
      5       6.7088      0.02160
      6       7.8135      0.00000
      7       8.4087      0.00000
      8       9.7658      0.00000
      9      10.0271      0.00000
     10      11.4221      0.00000
     11      11.6691      0.00000
     12      12.7910      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8358      2.00000
      2       0.3265      2.00000
      3       1.3456      2.00000
      4       3.0675      2.00000
      5       7.1250      0.00034
      6       8.2071      0.00000
      7       8.8470      0.00000
      8       9.2163      0.00000
      9       9.9462      0.00000
     10      10.6181      0.00000
     11      10.8981      0.00000
     12      13.4382      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3525      2.00000
      2       0.5033      2.00000
      3       0.7122      2.00000
      4       2.6605      2.00000
      5       7.5599      0.00000
      6       8.5252      0.00000
      7       8.6269      0.00000
      8       9.3179      0.00000
      9      10.0072      0.00000
     10      10.0516      0.00000
     11      10.2857      0.00000
     12      13.3333      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5261      2.00000
      2       3.5615      2.00000
      3       3.8377      2.00000
      4       4.4306      2.00000
      5       5.9359      1.92256
      6       6.5041      0.15597
      7       7.9507      0.00000
      8      10.8355      0.00000
      9      11.4739      0.00000
     10      11.8621      0.00000
     11      12.3616      0.00000
     12      12.8501      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4767      2.00000
      2       3.5938      2.00000
      3       3.6347      2.00000
      4       4.0642      2.00000
      5       6.5334      0.11869
      6       6.5776      0.07790
      7       8.0762      0.00000
      8      10.7237      0.00000
      9      10.7725      0.00000
     10      11.3226      0.00000
     11      12.6517      0.00000
     12      13.3193      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3293      2.00000
      2       2.6829      2.00000
      3       3.7655      2.00000
      4       4.1227      2.00000
      5       6.7025      0.02298
      6       7.2982      0.00006
      7       8.6662      0.00000
      8       9.7004      0.00000
      9      10.0553      0.00000
     10      11.1898      0.00000
     11      12.2615      0.00000
     12      13.2360      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0871      2.00000
      2       1.7045      2.00000
      3       4.0175      2.00000
      4       4.3359      2.00000
      5       6.9451      0.00205
      6       7.5924      0.00000
      7       8.6979      0.00000
      8       9.0951      0.00000
      9       9.9754      0.00000
     10      11.3481      0.00000
     11      11.4535      0.00000
     12      12.7736      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7581      2.00000
      2       0.8045      2.00000
      3       4.3677      2.00000
      4       4.6337      2.00000
      5       7.2159      0.00014
      6       7.6007      0.00000
      7       7.8483      0.00000
      8       8.4791      0.00000
      9      10.5639      0.00000
     10      11.3398      0.00000
     11      11.6505      0.00000
     12      12.4224      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3668      2.00000
      2       0.0275      2.00000
      3       4.8087      2.00000
      4       4.9845      1.99999
      5       6.8223      0.00699
      6       7.2120      0.00014
      7       7.8637      0.00000
      8       8.2986      0.00000
      9       9.7561      0.00000
     10      11.6900      0.00000
     11      12.0881      0.00000
     12      13.2387      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0125      2.00000
      2      -0.5208      2.00000
      3       5.2778      1.99989
      4       5.3082      1.99985
      5       6.1690      1.41402
      6       6.7898      0.00966
      7       8.3151      0.00000
      8       8.3821      0.00000
      9       9.0277      0.00000
     10      11.5660      0.00000
     11      12.3713      0.00000
     12      13.8824      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6445      2.00000
      3       3.8797      2.00000
      4       4.5772      2.00000
      5       6.1480      1.49684
      6       7.1326      0.00032
      7       8.6149      0.00000
      8       9.8281      0.00000
      9      10.4999      0.00000
     10      11.7977      0.00000
     11      11.8427      0.00000
     12      12.8808      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6802      2.00000
      3       3.7672      2.00000
      4       4.1237      2.00000
      5       6.7059      0.02222
      6       7.3000      0.00006
      7       8.6593      0.00000
      8       9.7011      0.00000
      9      10.0537      0.00000
     10      11.1924      0.00000
     11      12.2628      0.00000
     12      13.2368      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6321      2.00000
      3       3.0720      2.00000
      4       4.1436      2.00000
      5       7.0877      0.00049
      6       8.0884      0.00000
      7       8.6986      0.00000
      8       9.1027      0.00000
      9       9.8189      0.00000
     10      10.4919      0.00000
     11      12.4855      0.00000
     12      13.1093      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8168      2.00000
      3       3.1496      2.00000
      4       4.3595      2.00000
      5       7.1868      0.00018
      6       8.0210      0.00000
      7       8.4981      0.00000
      8       9.1895      0.00000
      9       9.9041      0.00000
     10      10.6052      0.00000
     11      11.9363      0.00000
     12      13.1327      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9325      2.00000
      3       3.4611      2.00000
      4       4.6633      2.00000
      5       6.7385      0.01610
      6       7.8622      0.00000
      7       8.0753      0.00000
      8       9.1110      0.00000
      9      10.5291      0.00000
     10      11.1530      0.00000
     11      11.7028      0.00000
     12      12.8214      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       0.1579      2.00000
      3       3.8534      2.00000
      4       5.0210      1.99999
      5       6.0473      1.78138
      6       7.3000      0.00006
      7       8.2573      0.00000
      8       9.2702      0.00000
      9      10.4475      0.00000
     10      10.9496      0.00000
     11      12.3340      0.00000
     12      13.1522      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8553      2.00000
      2      -0.3938      2.00000
      3       4.2315      2.00000
      4       5.2817      1.99988
      5       5.5649      1.99803
      6       6.8017      0.00858
      7       8.5612      0.00000
      8       9.4166      0.00000
      9       9.9362      0.00000
     10      11.2903      0.00000
     11      11.9784      0.00000
     12      13.0342      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6602      2.00000
      3       4.1138      2.00000
      4       4.8202      2.00000
      5       6.3923      0.41091
      6       7.4358      0.00002
      7       8.8212      0.00000
      8       9.4705      0.00000
      9       9.8944      0.00000
     10      10.9790      0.00000
     11      12.0670      0.00000
     12      12.5069      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0874      2.00000
      2       1.7021      2.00000
      3       4.0190      2.00000
      4       4.3368      2.00000
      5       6.9485      0.00198
      6       7.5963      0.00000
      7       8.6957      0.00000
      8       9.0945      0.00000
      9       9.9670      0.00000
     10      11.3574      0.00000
     11      11.4501      0.00000
     12      12.7761      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8148      2.00000
      3       3.1519      2.00000
      4       4.3593      2.00000
      5       7.1872      0.00018
      6       8.0229      0.00000
      7       8.4999      0.00000
      8       9.1900      0.00000
      9       9.9010      0.00000
     10      10.6019      0.00000
     11      11.9393      0.00000
     12      13.1341      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6947      2.00000
      2       1.8118      2.00000
      3       2.4059      2.00000
      4       4.5723      2.00000
      5       6.6597      0.03504
      6       7.9143      0.00000
      7       8.9526      0.00000
      8       9.4202      0.00000
      9       9.9099      0.00000
     10      10.6827      0.00000
     11      11.9770      0.00000
     12      12.8234      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3620      2.00000
      2       1.1233      2.00000
      3       2.5068      2.00000
      4       4.8503      2.00000
      5       5.9060      1.94200
      6       8.0930      0.00000
      7       8.3508      0.00000
      8       9.6019      0.00000
      9      10.3406      0.00000
     10      11.5407      0.00000
     11      11.7884      0.00000
     12      12.8229      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9634      2.00000
      2       0.3670      2.00000
      3       2.8568      2.00000
      4       4.9212      2.00000
      5       5.4872      1.99909
      6       7.5284      0.00001
      7       8.5220      0.00000
      8       9.9310      0.00000
      9      10.3430      0.00000
     10      11.2526      0.00000
     11      12.3448      0.00000
     12      12.8082      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5947      2.00000
      2      -0.1884      2.00000
      3       3.1966      2.00000
      4       4.5141      2.00000
      5       5.7214      1.99061
      6       6.9984      0.00121
      7       8.8214      0.00000
      8       9.9961      0.00000
      9      10.3132      0.00000
     10      11.2888      0.00000
     11      11.8064      0.00000
     12      13.0903      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7588      2.00000
      3       4.4426      2.00000
      4       5.1560      1.99997
      5       6.6812      0.02836
      6       7.5826      0.00000
      7       8.0358      0.00000
      8       8.5375      0.00000
      9      10.1158      0.00000
     10      11.3430      0.00000
     11      12.1178      0.00000
     12      12.3843      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7587      2.00000
      2       0.8027      2.00000
      3       4.3688      2.00000
      4       4.6341      2.00000
      5       7.2201      0.00013
      6       7.6019      0.00000
      7       7.8482      0.00000
      8       8.4811      0.00000
      9      10.5612      0.00000
     10      11.3375      0.00000
     11      11.6520      0.00000
     12      12.4241      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9308      2.00000
      3       3.4632      2.00000
      4       4.6626      2.00000
      5       6.7400      0.01586
      6       7.8594      0.00000
      7       8.0777      0.00000
      8       9.1174      0.00000
      9      10.5313      0.00000
     10      11.1412      0.00000
     11      11.7072      0.00000
     12      12.8262      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3623      2.00000
      2       1.1220      2.00000
      3       2.5084      2.00000
      4       4.8500      2.00000
      5       5.9066      1.94165
      6       8.0905      0.00000
      7       8.3529      0.00000
      8       9.6032      0.00000
      9      10.3465      0.00000
     10      11.5277      0.00000
     11      11.7959      0.00000
     12      12.8234      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0254      2.00000
      2       1.1867      2.00000
      3       1.8383      2.00000
      4       4.8111      2.00000
      5       5.4330      1.99947
      6       8.4020      0.00000
      7       8.4254      0.00000
      8       8.9578      0.00000
      9      11.1831      0.00000
     10      11.8050      0.00000
     11      12.0785      0.00000
     12      12.1219      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6187      2.00000
      2       0.6290      2.00000
      3       1.9605      2.00000
      4       4.2138      2.00000
      5       5.6995      1.99245
      6       7.8203      0.00000
      7       8.8184      0.00000
      8       9.0890      0.00000
      9      10.8205      0.00000
     10      11.4625      0.00000
     11      12.1689      0.00000
     12      12.6301      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2340      2.00000
      2       0.0807      2.00000
      3       2.2432      2.00000
      4       3.7359      2.00000
      5       6.0524      1.77120
      6       7.2800      0.00007
      7       9.1541      0.00000
      8       9.3790      0.00000
      9      10.3083      0.00000
     10      11.0846      0.00000
     11      12.3811      0.00000
     12      12.8824      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8463      2.00000
      4       5.5718      1.99789
      5       6.7521      0.01406
      6       7.4481      0.00001
      7       7.7219      0.00000
      8       7.8877      0.00000
      9       9.3440      0.00000
     10      11.6168      0.00000
     11      12.7641      0.00000
     12      13.0867      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3678      2.00000
      2       0.0263      2.00000
      3       4.8093      2.00000
      4       4.9841      1.99999
      5       6.8252      0.00679
      6       7.2123      0.00014
      7       7.8648      0.00000
      8       8.3031      0.00000
      9       9.7579      0.00000
     10      11.6927      0.00000
     11      12.0878      0.00000
     12      13.2322      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2155      2.00000
      2       0.1567      2.00000
      3       3.8551      2.00000
      4       5.0198      1.99999
      5       6.0494      1.77725
      6       7.2992      0.00006
      7       8.2574      0.00000
      8       9.2763      0.00000
      9      10.4525      0.00000
     10      10.9459      0.00000
     11      12.3395      0.00000
     12      13.1486      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9641      2.00000
      2       0.3661      2.00000
      3       2.8581      2.00000
      4       4.9218      2.00000
      5       5.4869      1.99910
      6       7.5279      0.00001
      7       8.5226      0.00000
      8       9.9325      0.00000
      9      10.3440      0.00000
     10      11.2588      0.00000
     11      12.3478      0.00000
     12      12.8024      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6191      2.00000
      2       0.6285      2.00000
      3       1.9612      2.00000
      4       4.2144      2.00000
      5       5.6988      1.99250
      6       7.8202      0.00000
      7       8.8212      0.00000
      8       9.0865      0.00000
      9      10.8185      0.00000
     10      11.4658      0.00000
     11      12.1823      0.00000
     12      12.6191      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1977      2.00000
      2       0.7666      2.00000
      3       1.3427      2.00000
      4       3.5391      2.00000
      5       6.0816      1.70495
      6       8.0125      0.00000
      7       8.4401      0.00000
      8       9.2142      0.00000
      9      10.6949      0.00000
     10      10.9752      0.00000
     11      11.7546      0.00000
     12      13.9306      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7831      2.00000
      2       0.3753      2.00000
      3       1.3964      2.00000
      4       3.0884      2.00000
      5       6.4715      0.20978
      6       7.6005      0.00000
      7       8.5618      0.00000
      8       9.5822      0.00000
      9      10.1438      0.00000
     10      10.7924      0.00000
     11      11.6468      0.00000
     12      13.8560      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5643      2.00000
      3       5.2457      1.99992
      4       5.9957      1.86345
      5       6.3372      0.61938
      6       7.0978      0.00045
      7       7.6185      0.00000
      8       8.1132      0.00000
      9       8.6761      0.00000
     10      11.4447      0.00000
     11      13.1082      0.00000
     12      14.1393      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0141      2.00000
      2      -0.5214      2.00000
      3       5.2870      1.99988
      4       5.2962      1.99987
      5       6.1735      1.39522
      6       6.7910      0.00955
      7       8.3213      0.00000
      8       8.3797      0.00000
      9       9.0325      0.00000
     10      11.5697      0.00000
     11      12.3695      0.00000
     12      13.8867      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8568      2.00000
      2      -0.3942      2.00000
      3       4.2324      2.00000
      4       5.2810      1.99988
      5       5.5662      1.99800
      6       6.8024      0.00853
      7       8.5608      0.00000
      8       9.4168      0.00000
      9       9.9471      0.00000
     10      11.2861      0.00000
     11      11.9845      0.00000
     12      13.0378      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5961      2.00000
      2      -0.1886      2.00000
      3       3.1972      2.00000
      4       4.5161      2.00000
      5       5.7193      1.99080
      6       6.9994      0.00119
      7       8.8214      0.00000
      8       9.9954      0.00000
      9      10.3144      0.00000
     10      11.2961      0.00000
     11      11.8122      0.00000
     12      13.0869      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2351      2.00000
      2       0.0809      2.00000
      3       2.2434      2.00000
      4       3.7372      2.00000
      5       6.0505      1.77500
      6       7.2816      0.00007
      7       9.1577      0.00000
      8       9.3743      0.00000
      9      10.3074      0.00000
     10      11.0867      0.00000
     11      12.4043      0.00000
     12      12.8615      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7837      2.00000
      2       0.3759      2.00000
      3       1.3961      2.00000
      4       3.0891      2.00000
      5       6.4701      0.21228
      6       7.6027      0.00000
      7       8.5608      0.00000
      8       9.5813      0.00000
      9      10.1443      0.00000
     10      10.7923      0.00000
     11      11.6493      0.00000
     12      13.8548      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3005      2.00000
      2       0.5557      2.00000
      3       0.7632      2.00000
      4       2.6813      2.00000
      5       6.9123      0.00285
      6       7.8158      0.00000
      7       7.9729      0.00000
      8       9.7150      0.00000
      9      10.0847      0.00000
     10      10.8048      0.00000
     11      11.0576      0.00000
     12      13.7159      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2314      2.00000
      2       2.5799      2.00000
      3       3.0699      2.00000
      4       4.7238      2.00000
      5       6.4125      0.34894
      6       8.0437      0.00000
      7       8.6502      0.00000
      8       9.1574      0.00000
      9      10.4955      0.00000
     10      10.8489      0.00000
     11      11.8490      0.00000
     12      12.6349      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1818      2.00000
      2       2.6312      2.00000
      3       3.0689      2.00000
      4       4.1481      2.00000
      5       7.0921      0.00047
      6       8.0849      0.00000
      7       8.6990      0.00000
      8       9.0979      0.00000
      9       9.8223      0.00000
     10      10.4922      0.00000
     11      12.4879      0.00000
     12      13.1096      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0337      2.00000
      2       2.7652      2.00000
      3       2.8091      2.00000
      4       3.5481      2.00000
      5       8.1196      0.00000
      6       8.1995      0.00000
      7       8.8205      0.00000
      8       8.8529      0.00000
      9       8.8812      0.00000
     10      10.1772      0.00000
     11      13.0618      0.00000
     12      13.7784      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7902      2.00000
      2       1.9412      2.00000
      3       3.0433      2.00000
      4       3.6089      2.00000
      5       7.6294      0.00000
      6       7.9958      0.00000
      7       8.6131      0.00000
      8       9.0830      0.00000
      9       9.3094      0.00000
     10      10.5994      0.00000
     11      12.7760      0.00000
     12      13.6505      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4587      2.00000
      2       1.0641      2.00000
      3       3.3997      2.00000
      4       3.8489      2.00000
      5       6.7341      0.01682
      6       7.3068      0.00006
      7       8.9190      0.00000
      8       9.3947      0.00000
      9       9.6701      0.00000
     10      11.8350      0.00000
     11      12.0301      0.00000
     12      12.9280      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0624      2.00000
      2       0.2904      2.00000
      3       3.8511      2.00000
      4       4.1380      2.00000
      5       5.9002      1.94518
      6       6.6899      0.02604
      7       9.3532      0.00000
      8       9.6899      0.00000
      9       9.9437      0.00000
     10      11.2586      0.00000
     11      12.1544      0.00000
     12      12.9804      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6982      2.00000
      2      -0.2648      2.00000
      3       4.3501      2.00000
      4       4.3810      2.00000
      5       5.1949      1.99995
      6       6.2901      0.83606
      7       9.8154      0.00000
      8       9.8846      0.00000
      9      10.2752      0.00000
     10      10.5631      0.00000
     11      11.5919      0.00000
     12      12.9129      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7700      2.00000
      3       3.1252      2.00000
      4       4.9667      2.00000
      5       6.5706      0.08333
      6       7.9135      0.00000
      7       8.5954      0.00000
      8       9.6072      0.00000
      9      10.0238      0.00000
     10      10.9321      0.00000
     11      11.3380      0.00000
     12      12.6399      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9391      2.00000
      2       1.8148      2.00000
      3       3.1477      2.00000
      4       4.3640      2.00000
      5       7.1898      0.00018
      6       8.0207      0.00000
      7       8.4997      0.00000
      8       9.1911      0.00000
      9       9.9005      0.00000
     10      10.6019      0.00000
     11      11.9415      0.00000
     12      13.1339      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7904      2.00000
      2       1.9391      2.00000
      3       3.0444      2.00000
      4       3.6099      2.00000
      5       7.6299      0.00000
      6       7.9952      0.00000
      7       8.6173      0.00000
      8       9.0843      0.00000
      9       9.3092      0.00000
     10      10.5933      0.00000
     11      12.7795      0.00000
     12      13.6534      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5456      2.00000
      2       1.9671      2.00000
      3       2.4574      2.00000
      4       3.6308      2.00000
      5       6.8647      0.00458
      6       7.9159      0.00000
      7       8.5397      0.00000
      8       9.1007      0.00000
      9      10.0709      0.00000
     10      10.9317      0.00000
     11      13.0671      0.00000
     12      13.0758      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2118      2.00000
      2       1.2633      2.00000
      3       2.6071      2.00000
      4       3.8873      2.00000
      5       6.0119      1.84137
      6       7.3181      0.00005
      7       8.6476      0.00000
      8       9.4160      0.00000
      9      10.6271      0.00000
     10      11.8683      0.00000
     11      12.3518      0.00000
     12      12.6905      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8111      2.00000
      2       0.5038      2.00000
      3       2.9802      2.00000
      4       4.1965      2.00000
      5       5.2615      1.99991
      6       6.6652      0.03321
      7       8.9710      0.00000
      8       9.7749      0.00000
      9      10.8973      0.00000
     10      11.3851      0.00000
     11      12.0357      0.00000
     12      13.5837      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4380      2.00000
      2      -0.0558      2.00000
      3       3.3425      2.00000
      4       4.4067      2.00000
      5       4.7645      2.00000
      6       6.2229      1.16923
      7       9.2530      0.00000
      8      10.1352      0.00000
      9      10.8075      0.00000
     10      11.1126      0.00000
     11      11.5727      0.00000
     12      13.4989      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8858      2.00000
      3       3.4279      2.00000
      4       5.3023      1.99986
      5       6.4578      0.23676
      6       7.4688      0.00001
      7       8.6812      0.00000
      8       8.8187      0.00000
      9      10.6493      0.00000
     10      11.2452      0.00000
     11      11.4958      0.00000
     12      12.5271      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6091      2.00000
      2       0.9307      2.00000
      3       3.4589      2.00000
      4       4.6675      2.00000
      5       6.7379      0.01619
      6       7.8659      0.00000
      7       8.0782      0.00000
      8       9.1135      0.00000
      9      10.5316      0.00000
     10      11.1456      0.00000
     11      11.7031      0.00000
     12      12.8243      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4592      2.00000
      2       1.0624      2.00000
      3       3.4005      2.00000
      4       3.8497      2.00000
      5       6.7345      0.01675
      6       7.3067      0.00006
      7       8.9241      0.00000
      8       9.3974      0.00000
      9       9.6708      0.00000
     10      11.8045      0.00000
     11      12.0547      0.00000
     12      12.9311      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2121      2.00000
      2       1.2620      2.00000
      3       2.6086      2.00000
      4       3.8870      2.00000
      5       6.0125      1.84045
      6       7.3171      0.00005
      7       8.6502      0.00000
      8       9.4150      0.00000
      9      10.6342      0.00000
     10      11.8579      0.00000
     11      12.3500      0.00000
     12      12.6972      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8744      2.00000
      2       1.3430      2.00000
      3       1.9447      2.00000
      4       4.1181      2.00000
      5       5.2391      1.99992
      6       7.3372      0.00004
      7       8.0502      0.00000
      8       9.7311      0.00000
      9      11.2770      0.00000
     10      11.8805      0.00000
     11      12.5427      0.00000
     12      12.7949      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4661      2.00000
      2       0.7736      2.00000
      3       2.0917      2.00000
      4       4.1377      2.00000
      5       4.8439      2.00000
      6       6.8522      0.00519
      7       8.1233      0.00000
      8      10.0386      0.00000
      9      10.6839      0.00000
     10      11.9983      0.00000
     11      12.8376      0.00000
     12      13.3274      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0776      2.00000
      2       0.2191      2.00000
      3       2.3928      2.00000
      4       3.7746      2.00000
      5       5.0117      1.99999
      6       6.3862      0.43122
      7       8.3421      0.00000
      8      10.0589      0.00000
      9      10.5402      0.00000
     10      11.6779      0.00000
     11      12.9951      0.00000
     12      13.6819      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1119      2.00000
      3       3.8118      2.00000
      4       5.7178      1.99094
      5       5.9133      1.93770
      6       7.5831      0.00000
      7       7.8675      0.00000
      8       8.9542      0.00000
      9      10.1187      0.00000
     10      11.6294      0.00000
     11      12.2060      0.00000
     12      12.8441      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2156      2.00000
      2       0.1567      2.00000
      3       3.8504      2.00000
      4       5.0246      1.99999
      5       6.0474      1.78105
      6       7.3028      0.00006
      7       8.2626      0.00000
      8       9.2721      0.00000
      9      10.4528      0.00000
     10      10.9464      0.00000
     11      12.3348      0.00000
     12      13.1499      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0633      2.00000
      2       0.2893      2.00000
      3       3.8512      2.00000
      4       4.1383      2.00000
      5       5.9014      1.94450
      6       6.6903      0.02593
      7       9.3590      0.00000
      8       9.6957      0.00000
      9       9.9403      0.00000
     10      11.2581      0.00000
     11      12.1564      0.00000
     12      12.9816      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8118      2.00000
      2       0.5029      2.00000
      3       2.9814      2.00000
      4       4.1957      2.00000
      5       5.2628      1.99990
      6       6.6648      0.03333
      7       8.9736      0.00000
      8       9.7734      0.00000
      9      10.9035      0.00000
     10      11.3851      0.00000
     11      12.0370      0.00000
     12      13.5837      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4665      2.00000
      2       0.7731      2.00000
      3       2.0923      2.00000
      4       4.1379      2.00000
      5       4.8439      2.00000
      6       6.8521      0.00520
      7       8.1240      0.00000
      8      10.0384      0.00000
      9      10.6842      0.00000
     10      11.9991      0.00000
     11      12.8523      0.00000
     12      13.3143      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0443      2.00000
      2       0.9234      2.00000
      3       1.4732      2.00000
      4       3.5893      2.00000
      5       5.0858      1.99998
      6       6.9417      0.00212
      7       7.5432      0.00001
      8       9.8488      0.00000
      9      10.6250      0.00000
     10      12.2732      0.00000
     11      12.9042      0.00000
     12      14.0818      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6271      2.00000
      2       0.5226      2.00000
      3       1.5476      2.00000
      4       3.1489      2.00000
      5       5.4268      1.99950
      6       6.6096      0.05719
      7       7.5346      0.00001
      8       9.4954      0.00000
      9      10.9376      0.00000
     10      11.9955      0.00000
     11      12.9216      0.00000
     12      14.5644      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9093      2.00000
      2      -0.4379      2.00000
      3       4.1797      2.00000
      4       5.4036      1.99961
      5       6.1411      1.52258
      6       7.2445      0.00010
      7       7.8019      0.00000
      8       8.9594      0.00000
      9       9.8261      0.00000
     10      11.9834      0.00000
     11      11.9851      0.00000
     12      13.3954      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8568      2.00000
      2      -0.3944      2.00000
      3       4.2270      2.00000
      4       5.2821      1.99988
      5       5.5696      1.99794
      6       6.8048      0.00833
      7       8.5674      0.00000
      8       9.4159      0.00000
      9       9.9422      0.00000
     10      11.2870      0.00000
     11      11.9811      0.00000
     12      13.0382      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6997      2.00000
      2      -0.2652      2.00000
      3       4.3594      2.00000
      4       4.3695      2.00000
      5       5.1986      1.99995
      6       6.2910      0.83205
      7       9.8306      0.00000
      8       9.8832      0.00000
      9      10.2689      0.00000
     10      10.5627      0.00000
     11      11.5961      0.00000
     12      12.9162      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4393      2.00000
      2      -0.0560      2.00000
      3       3.3431      2.00000
      4       4.4057      2.00000
      5       4.7662      2.00000
      6       6.2232      1.16751
      7       9.2555      0.00000
      8      10.1332      0.00000
      9      10.8083      0.00000
     10      11.1125      0.00000
     11      11.5823      0.00000
     12      13.5041      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0787      2.00000
      2       0.2193      2.00000
      3       2.3929      2.00000
      4       3.7757      2.00000
      5       5.0107      1.99999
      6       6.3869      0.42882
      7       8.3425      0.00000
      8      10.0598      0.00000
      9      10.5391      0.00000
     10      11.6775      0.00000
     11      13.0161      0.00000
     12      13.6635      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6278      2.00000
      2       0.5232      2.00000
      3       1.5473      2.00000
      4       3.1494      2.00000
      5       5.4260      1.99951
      6       6.6108      0.05655
      7       7.5341      0.00001
      8       9.4959      0.00000
      9      10.9369      0.00000
     10      11.9951      0.00000
     11      12.9254      0.00000
     12      14.5605      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1446      2.00000
      2       0.7128      2.00000
      3       0.9158      2.00000
      4       2.7411      2.00000
      5       5.8699      1.95921
      6       6.7426      0.01546
      7       6.9370      0.00223
      8       9.1431      0.00000
      9      11.3813      0.00000
     10      12.1283      0.00000
     11      12.3513      0.00000
     12      14.6315      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7449      2.00000
      2       1.7592      2.00000
      3       2.3745      2.00000
      4       5.2096      1.99994
      5       6.3583      0.53303
      6       7.4643      0.00001
      7       9.7103      0.00000
      8       9.7357      0.00000
      9      10.0253      0.00000
     10      10.3502      0.00000
     11      11.2984      0.00000
     12      12.4492      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6949      2.00000
      2       1.8112      2.00000
      3       2.4025      2.00000
      4       4.5770      2.00000
      5       6.6580      0.03563
      6       7.9192      0.00000
      7       8.9585      0.00000
      8       9.4184      0.00000
      9       9.9080      0.00000
     10      10.6791      0.00000
     11      11.9803      0.00000
     12      12.8243      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5457      2.00000
      2       1.9666      2.00000
      3       2.4544      2.00000
      4       3.6345      2.00000
      5       6.8619      0.00471
      6       7.9200      0.00000
      7       8.5412      0.00000
      8       9.1047      0.00000
      9      10.0679      0.00000
     10      10.9286      0.00000
     11      13.0645      0.00000
     12      13.0814      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2998      2.00000
      2       2.2041      2.00000
      3       2.2488      2.00000
      4       3.0642      2.00000
      5       6.8726      0.00424
      6       6.9264      0.00247
      7       7.9361      0.00000
      8      10.3016      0.00000
      9      10.3357      0.00000
     10      11.1692      0.00000
     11      12.3425      0.00000
     12      13.7476      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9641      2.00000
      2       1.4818      2.00000
      3       2.5862      2.00000
      4       3.1522      2.00000
      5       5.9561      1.90597
      6       6.5459      0.10545
      7       7.8192      0.00000
      8      10.6562      0.00000
      9      10.8608      0.00000
     10      11.3743      0.00000
     11      12.5469      0.00000
     12      13.5744      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5594      2.00000
      2       0.7251      2.00000
      3       3.0417      2.00000
      4       3.3925      2.00000
      5       5.1072      1.99998
      6       6.0269      1.81809
      7       8.0344      0.00000
      8      10.4475      0.00000
      9      11.0973      0.00000
     10      11.5057      0.00000
     11      12.9360      0.00000
     12      13.9403      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1780      2.00000
      2       0.1596      2.00000
      3       3.5535      2.00000
      4       3.5952      2.00000
      5       4.3916      2.00000
      6       5.6730      1.99420
      7       8.2578      0.00000
      8      10.0632      0.00000
      9      11.5999      0.00000
     10      11.6310      0.00000
     11      12.2874      0.00000
     12      14.0082      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4128      2.00000
      2       1.0745      2.00000
      3       2.4663      2.00000
      4       5.5448      1.99839
      5       5.7109      1.99154
      6       7.5463      0.00001
      7       8.9144      0.00000
      8      10.0102      0.00000
      9      10.2111      0.00000
     10      11.0950      0.00000
     11      11.4314      0.00000
     12      12.6272      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3625      2.00000
      2       1.1219      2.00000
      3       2.5043      2.00000
      4       4.8543      2.00000
      5       5.9049      1.94260
      6       8.0974      0.00000
      7       8.3559      0.00000
      8       9.6034      0.00000
      9      10.3428      0.00000
     10      11.5366      0.00000
     11      11.7881      0.00000
     12      12.8219      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2122      2.00000
      2       1.2620      2.00000
      3       2.6048      2.00000
      4       3.8909      2.00000
      5       6.0104      1.84348
      6       7.3205      0.00005
      7       8.6503      0.00000
      8       9.4210      0.00000
      9      10.6282      0.00000
     10      11.8625      0.00000
     11      12.3459      0.00000
     12      12.6990      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       1.4806      2.00000
      3       2.5866      2.00000
      4       3.1530      2.00000
      5       5.9559      1.90620
      6       6.5462      0.10519
      7       7.8205      0.00000
      8      10.6607      0.00000
      9      10.8615      0.00000
     10      11.3747      0.00000
     11      12.5375      0.00000
     12      13.5802      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6253      2.00000
      2       1.6025      2.00000
      3       2.0840      2.00000
      4       3.2267      2.00000
      5       5.3112      1.99984
      6       6.3063      0.75848
      7       7.2570      0.00009
      8      10.3471      0.00000
      9      11.2283      0.00000
     10      12.2105      0.00000
     11      13.0099      0.00000
     12      13.9548      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2138      2.00000
      2       1.0095      2.00000
      3       2.2971      2.00000
      4       3.5067      2.00000
      5       4.5840      2.00000
      6       5.9182      1.93472
      7       7.2076      0.00015
      8       9.7501      0.00000
      9      11.6140      0.00000
     10      12.7672      0.00000
     11      13.6224      0.00000
     12      14.2438      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8183      2.00000
      2       0.4449      2.00000
      3       2.6386      2.00000
      4       3.7126      2.00000
      5       4.0827      2.00000
      6       5.5496      1.99831
      7       7.3397      0.00004
      8       9.3711      0.00000
      9      11.9765      0.00000
     10      12.8735      0.00000
     11      13.2990      0.00000
     12      14.9017      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0153      2.00000
      2       0.3197      2.00000
      3       2.8104      2.00000
      4       5.0233      1.99999
      5       5.9598      1.90262
      6       7.8142      0.00000
      7       8.1070      0.00000
      8       9.7721      0.00000
      9      10.5939      0.00000
     10      11.1184      0.00000
     11      12.1687      0.00000
     12      12.9268      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9643      2.00000
      2       0.3659      2.00000
      3       2.8538      2.00000
      4       4.9215      2.00000
      5       5.4905      1.99906
      6       7.5317      0.00001
      7       8.5283      0.00000
      8       9.9325      0.00000
      9      10.3459      0.00000
     10      11.2559      0.00000
     11      12.3457      0.00000
     12      12.8057      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8119      2.00000
      2       0.5028      2.00000
      3       2.9773      2.00000
      4       4.1995      2.00000
      5       5.2618      1.99990
      6       6.6673      0.03252
      7       8.9737      0.00000
      8       9.7800      0.00000
      9      10.8979      0.00000
     10      11.3896      0.00000
     11      12.0348      0.00000
     12      13.5764      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5601      2.00000
      2       0.7243      2.00000
      3       3.0415      2.00000
      4       3.3930      2.00000
      5       5.1080      1.99998
      6       6.0273      1.81743
      7       8.0359      0.00000
      8      10.4496      0.00000
      9      11.0977      0.00000
     10      11.5109      0.00000
     11      12.9339      0.00000
     12      13.9373      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2142      2.00000
      2       1.0091      2.00000
      3       2.2976      2.00000
      4       3.5063      2.00000
      5       4.5848      2.00000
      6       5.9181      1.93479
      7       7.2082      0.00015
      8       9.7507      0.00000
      9      11.6134      0.00000
     10      12.7747      0.00000
     11      13.6184      0.00000
     12      14.2429      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7903      2.00000
      2       1.1838      2.00000
      3       1.6821      2.00000
      4       3.5567      2.00000
      5       4.2310      2.00000
      6       5.9056      1.94221
      7       6.6379      0.04339
      8       9.1728      0.00000
      9      12.0175      0.00000
     10      13.6239      0.00000
     11      14.1923      0.00000
     12      14.3687      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3683      2.00000
      2       0.7647      2.00000
      3       1.7975      2.00000
      4       3.2301      2.00000
      5       4.4108      2.00000
      6       5.6387      1.99588
      7       6.5282      0.12466
      8       8.8311      0.00000
      9      12.3972      0.00000
     10      13.3732      0.00000
     11      14.3124      0.00000
     12      14.8326      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6485      2.00000
      2      -0.2337      2.00000
      3       3.1431      2.00000
      4       4.5140      2.00000
      5       6.3823      0.44449
      6       7.4860      0.00001
      7       8.0624      0.00000
      8       9.4694      0.00000
      9      10.9538      0.00000
     10      11.2481      0.00000
     11      12.3658      0.00000
     12      12.4863      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5961      2.00000
      2      -0.1890      2.00000
      3       3.1923      2.00000
      4       4.5145      2.00000
      5       5.7256      1.99021
      6       7.0020      0.00116
      7       8.8281      0.00000
      8       9.9961      0.00000
      9      10.3188      0.00000
     10      11.2900      0.00000
     11      11.8089      0.00000
     12      13.0911      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4393      2.00000
      2      -0.0562      2.00000
      3       3.3383      2.00000
      4       4.4065      2.00000
      5       4.7697      2.00000
      6       6.2249      1.15942
      7       9.2557      0.00000
      8      10.1387      0.00000
      9      10.8152      0.00000
     10      11.1118      0.00000
     11      11.5730      0.00000
     12      13.5008      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1794      2.00000
      2       0.1595      2.00000
      3       3.5568      2.00000
      4       3.5895      2.00000
      5       4.3949      2.00000
      6       5.6737      1.99416
      7       8.2591      0.00000
      8      10.0650      0.00000
      9      11.6005      0.00000
     10      11.6340      0.00000
     11      12.2917      0.00000
     12      14.0118      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8194      2.00000
      2       0.4451      2.00000
      3       2.6386      2.00000
      4       3.7112      2.00000
      5       4.0846      2.00000
      6       5.5499      1.99830
      7       7.3401      0.00004
      8       9.3722      0.00000
      9      11.9752      0.00000
     10      12.8732      0.00000
     11      13.3105      0.00000
     12      14.9020      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3691      2.00000
      2       0.7654      2.00000
      3       1.7971      2.00000
      4       3.2305      2.00000
      5       4.4105      2.00000
      6       5.6393      1.99586
      7       6.5280      0.12484
      8       8.8315      0.00000
      9      12.3964      0.00000
     10      13.3722      0.00000
     11      14.3278      0.00000
     12      14.8205      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1142      2.00000
      2       0.9736      2.00000
      3       1.1679      2.00000
      4       2.8310      2.00000
      5       4.8463      2.00000
      6       5.7042      1.99209
      7       5.9227      1.93180
      8       8.5233      0.00000
      9      12.8423      0.00000
     10      13.5696      0.00000
     11      13.7797      0.00000
     12      15.8051      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0763      2.00000
      2       1.1341      2.00000
      3       1.7972      2.00000
      4       4.9109      2.00000
      5       5.8799      1.95500
      6       7.8041      0.00000
      7       9.1209      0.00000
      8       9.3976      0.00000
      9      10.4753      0.00000
     10      11.3201      0.00000
     11      11.9532      0.00000
     12      12.7715      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0257      2.00000
      2       1.1863      2.00000
      3       1.8347      2.00000
      4       4.8110      2.00000
      5       5.4363      1.99945
      6       8.4027      0.00000
      7       8.4360      0.00000
      8       8.9569      0.00000
      9      11.1912      0.00000
     10      11.8088      0.00000
     11      12.0654      0.00000
     12      12.1255      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8747      2.00000
      2       1.3427      2.00000
      3       1.9412      2.00000
      4       4.1214      2.00000
      5       5.2380      1.99992
      6       7.3412      0.00004
      7       8.0503      0.00000
      8       9.7375      0.00000
      9      11.2772      0.00000
     10      11.8838      0.00000
     11      12.5360      0.00000
     12      12.7982      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6254      2.00000
      2       1.6024      2.00000
      3       2.0808      2.00000
      4       3.2299      2.00000
      5       5.3094      1.99985
      6       6.3094      0.74397
      7       7.2569      0.00009
      8      10.3480      0.00000
      9      11.2339      0.00000
     10      12.2095      0.00000
     11      13.0047      0.00000
     12      13.9579      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2836      2.00000
      2       1.9424      2.00000
      3       1.9872      2.00000
      4       2.6960      2.00000
      5       5.3321      1.99981
      6       5.3800      1.99969
      7       6.6489      0.03896
      8       9.6501      0.00000
      9      12.5453      0.00000
     10      12.5824      0.00000
     11      13.5022      0.00000
     12      14.7094      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8667      2.00000
      2       1.3210      2.00000
      3       2.4230      2.00000
      4       2.8150      2.00000
      5       4.5014      2.00000
      6       5.1997      1.99995
      7       6.4044      0.37295
      8       9.0726      0.00000
      9      12.9875      0.00000
     10      13.3036      0.00000
     11      14.6457      0.00000
     12      14.6787      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4590      2.00000
      2       0.7469      2.00000
      3       2.9385      2.00000
      4       2.9979      2.00000
      5       3.7830      2.00000
      6       4.9656      2.00000
      7       6.4167      0.33688
      8       8.7330      0.00000
      9      13.4632      0.00000
     10      13.5699      0.00000
     11      14.1445      0.00000
     12      15.4855      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6705      2.00000
      2       0.5796      2.00000
      3       1.9125      2.00000
      4       4.2056      2.00000
      5       6.2944      0.81542
      6       8.1298      0.00000
      7       8.4312      0.00000
      8       9.6667      0.00000
      9      10.1362      0.00000
     10      11.5212      0.00000
     11      11.9930      0.00000
     12      12.4925      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6194      2.00000
      2       0.6282      2.00000
      3       1.9571      2.00000
      4       4.2130      2.00000
      5       5.7042      1.99209
      6       7.8243      0.00000
      7       8.8263      0.00000
      8       9.0874      0.00000
      9      10.8259      0.00000
     10      11.4663      0.00000
     11      12.1873      0.00000
     12      12.6106      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4667      2.00000
      2       0.7729      2.00000
      3       2.0883      2.00000
      4       4.1379      2.00000
      5       4.8470      2.00000
      6       6.8552      0.00504
      7       8.1241      0.00000
      8      10.0437      0.00000
      9      10.6876      0.00000
     10      12.0037      0.00000
     11      12.8461      0.00000
     12      13.3174      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2143      2.00000
      2       1.0090      2.00000
      3       2.2939      2.00000
      4       3.5094      2.00000
      5       4.5844      2.00000
      6       5.9202      1.93344
      7       7.2081      0.00015
      8       9.7512      0.00000
      9      11.6210      0.00000
     10      12.7705      0.00000
     11      13.6226      0.00000
     12      14.2385      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8672      2.00000
      2       1.3206      2.00000
      3       2.4225      2.00000
      4       2.8154      2.00000
      5       4.5019      2.00000
      6       5.1999      1.99995
      7       6.4049      0.37125
      8       9.0732      0.00000
      9      12.9897      0.00000
     10      13.3089      0.00000
     11      14.5926      0.00000
     12      14.7262      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4401      2.00000
      2       1.5459      2.00000
      3       1.9426      2.00000
      4       2.9866      2.00000
      5       4.0277      2.00000
      6       4.9509      2.00000
      7       5.8228      1.97433
      8       8.5464      0.00000
      9      13.5351      0.00000
     10      14.5087      0.00000
     11      15.1196      0.00000
     12      15.2267      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0098      2.00000
      2       1.0934      2.00000
      3       2.1405      2.00000
      4       3.2173      2.00000
      5       3.5661      2.00000
      6       4.7727      2.00000
      7       5.6027      1.99713
      8       8.2498      0.00000
      9      13.9383      0.00000
     10      14.7573      0.00000
     11      15.1489      0.00000
     12      15.7623      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2874      2.00000
      2       0.0337      2.00000
      3       2.1887      2.00000
      4       3.7186      2.00000
      5       6.7166      0.01999
      6       7.8150      0.00000
      7       8.4151      0.00000
      8       9.7706      0.00000
      9      10.0271      0.00000
     10      11.4253      0.00000
     11      11.6746      0.00000
     12      12.7850      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2351      2.00000
      2       0.0802      2.00000
      3       2.2388      2.00000
      4       3.7362      2.00000
      5       6.0571      1.76158
      6       7.2840      0.00007
      7       9.1643      0.00000
      8       9.3733      0.00000
      9      10.3156      0.00000
     10      11.0871      0.00000
     11      12.4097      0.00000
     12      12.8537      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0787      2.00000
      2       0.2188      2.00000
      3       2.3884      2.00000
      4       3.7748      2.00000
      5       5.0163      1.99999
      6       6.3889      0.42214
      7       8.3427      0.00000
      8      10.0597      0.00000
      9      10.5495      0.00000
     10      11.6820      0.00000
     11      13.0062      0.00000
     12      13.6700      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8194      2.00000
      2       0.4449      2.00000
      3       2.6342      2.00000
      4       3.7122      2.00000
      5       4.0879      2.00000
      6       5.5511      1.99828
      7       7.3402      0.00004
      8       9.3727      0.00000
      9      11.9842      0.00000
     10      12.8769      0.00000
     11      13.3019      0.00000
     12      14.9014      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4602      2.00000
      2       0.7473      2.00000
      3       2.9393      2.00000
      4       2.9946      2.00000
      5       3.7859      2.00000
      6       4.9659      2.00000
      7       6.4173      0.33518
      8       8.7339      0.00000
      9      13.4635      0.00000
     10      13.5754      0.00000
     11      14.1482      0.00000
     12      15.4881      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0105      2.00000
      2       1.0942      2.00000
      3       2.1399      2.00000
      4       3.2159      2.00000
      5       3.5681      2.00000
      6       4.7727      2.00000
      7       5.6029      1.99712
      8       8.2502      0.00000
      9      13.9374      0.00000
     10      14.7550      0.00000
     11      15.1683      0.00000
     12      15.7473      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4733      2.00000
      2       1.3363      2.00000
      3       1.5145      2.00000
      4       2.9329      2.00000
      5       3.9046      2.00000
      6       4.7476      2.00000
      7       4.9893      1.99999
      8       7.9841      0.00000
      9      14.3815      0.00000
     10      15.0508      0.00000
     11      15.2628      0.00000
     12      16.4021      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2493      2.00000
      2       0.7140      2.00000
      3       1.2940      2.00000
      4       3.5173      2.00000
      5       6.7094      0.02148
      6       8.5057      0.00000
      7       8.7278      0.00000
      8       8.9521      0.00000
      9      10.1897      0.00000
     10      11.0442      0.00000
     11      11.1925      0.00000
     12      13.5145      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1980      2.00000
      2       0.7664      2.00000
      3       1.3382      2.00000
      4       3.5383      2.00000
      5       6.0874      1.69029
      6       8.0175      0.00000
      7       8.4389      0.00000
      8       9.2197      0.00000
      9      10.6977      0.00000
     10      10.9827      0.00000
     11      11.7604      0.00000
     12      13.9091      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0445      2.00000
      2       0.9233      2.00000
      3       1.4689      2.00000
      4       3.5886      2.00000
      5       5.0906      1.99998
      6       6.9457      0.00204
      7       7.5424      0.00001
      8       9.8504      0.00000
      9      10.6324      0.00000
     10      12.2816      0.00000
     11      12.9105      0.00000
     12      14.0718      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7904      2.00000
      2       1.1839      2.00000
      3       1.6779      2.00000
      4       3.5571      2.00000
      5       4.2338      2.00000
      6       5.9088      1.94040
      7       6.6372      0.04370
      8       9.1736      0.00000
      9      12.0255      0.00000
     10      13.6346      0.00000
     11      14.2052      0.00000
     12      14.3516      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4402      2.00000
      2       1.5462      2.00000
      3       1.9385      2.00000
      4       2.9895      2.00000
      5       4.0273      2.00000
      6       4.9534      2.00000
      7       5.8221      1.97450
      8       8.5468      0.00000
      9      13.5429      0.00000
     10      14.5119      0.00000
     11      15.1174      0.00000
     12      15.2248      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0067      2.00000
      2       1.9834      2.00000
      3       2.0276      2.00000
      4       2.4585      2.00000
      5       4.0721      2.00000
      6       4.1173      2.00000
      7       5.1656      1.99996
      8       8.0757      0.00000
      9      14.9441      0.00000
     10      14.9795      0.00000
     11      15.8012      0.00000
     12      15.9526      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4399      2.00000
      2       1.4844      2.00000
      3       2.5227      2.00000
      4       2.5940      2.00000
      5       3.3752      2.00000
      6       4.1210      2.00000
      7       4.7870      2.00000
      8       7.8188      0.00000
      9      15.4042      0.00000
     10      15.6013      0.00000
     11      15.9913      0.00000
     12      16.8445      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8356      2.00000
      2       0.3255      2.00000
      3       1.3407      2.00000
      4       3.0671      2.00000
      5       7.1338      0.00031
      6       8.2076      0.00000
      7       8.8529      0.00000
      8       9.2151      0.00000
      9       9.9518      0.00000
     10      10.6230      0.00000
     11      10.9043      0.00000
     12      13.4405      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7835      2.00000
      2       0.3750      2.00000
      3       1.3913      2.00000
      4       3.0887      2.00000
      5       6.4774      0.19895
      6       7.6049      0.00000
      7       8.5601      0.00000
      8       9.5857      0.00000
      9      10.1518      0.00000
     10      10.7959      0.00000
     11      11.6555      0.00000
     12      13.8580      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6275      2.00000
      2       0.5224      2.00000
      3       1.5426      2.00000
      4       3.1491      2.00000
      5       5.4321      1.99948
      6       6.6129      0.05538
      7       7.5337      0.00001
      8       9.4973      0.00000
      9      10.9458      0.00000
     10      12.0015      0.00000
     11      12.9312      0.00000
     12      14.5548      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3688      2.00000
      2       0.7648      2.00000
      3       1.7924      2.00000
      4       3.2303      2.00000
      5       4.4158      2.00000
      6       5.6409      1.99579
      7       6.5276      0.12527
      8       8.8324      0.00000
      9      12.4057      0.00000
     10      13.3802      0.00000
     11      14.3333      0.00000
     12      14.8110      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0103      2.00000
      2       1.0939      2.00000
      3       2.1352      2.00000
      4       3.2172      2.00000
      5       3.5715      2.00000
      6       4.7735      2.00000
      7       5.6025      1.99713
      8       8.2505      0.00000
      9      13.9467      0.00000
     10      14.7640      0.00000
     11      15.1573      0.00000
     12      15.7530      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4390      2.00000
      2       1.4855      2.00000
      3       2.5225      2.00000
      4       2.5916      2.00000
      5       3.3779      2.00000
      6       4.1202      2.00000
      7       4.7877      2.00000
      8       7.8191      0.00000
      9      15.4051      0.00000
     10      15.6080      0.00000
     11      15.9928      0.00000
     12      16.8429      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9251      2.00000
      2       1.7948      2.00000
      3       1.9390      2.00000
      4       2.9362      2.00000
      5       3.1578      2.00000
      6       3.8897      2.00000
      7       4.1632      2.00000
      8       7.5870      0.00000
      9      15.9331      0.00000
     10      16.4590      0.00000
     11      16.7039      0.00000
     12      16.8298      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3509      2.00000
      2       0.5031      2.00000
      3       0.7049      2.00000
      4       2.6607      2.00000
      5       7.5723      0.00000
      6       8.5312      0.00000
      7       8.6144      0.00000
      8       9.3228      0.00000
      9      10.0132      0.00000
     10      10.0590      0.00000
     11      10.2929      0.00000
     12      13.3351      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2989      2.00000
      2       0.5555      2.00000
      3       0.7560      2.00000
      4       2.6816      2.00000
      5       6.9220      0.00259
      6       7.8208      0.00000
      7       7.9665      0.00000
      8       9.7171      0.00000
      9      10.0927      0.00000
     10      10.8117      0.00000
     11      11.0636      0.00000
     12      13.7181      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1429      2.00000
      2       0.7127      2.00000
      3       0.9085      2.00000
      4       2.7414      2.00000
      5       5.8778      1.95593
      6       6.7466      0.01486
      7       6.9328      0.00232
      8       9.1449      0.00000
      9      11.3901      0.00000
     10      12.1361      0.00000
     11      12.3563      0.00000
     12      14.6347      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1159      2.00000
      2       0.9737      2.00000
      3       1.1607      2.00000
      4       2.8314      2.00000
      5       4.8531      2.00000
      6       5.7074      1.99183
      7       5.9192      1.93406
      8       8.5245      0.00000
      9      12.8523      0.00000
     10      13.5785      0.00000
     11      13.7850      0.00000
     12      15.8090      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4750      2.00000
      2       1.3366      2.00000
      3       1.5073      2.00000
      4       2.9333      2.00000
      5       3.9109      2.00000
      6       4.7501      2.00000
      7       4.9861      1.99999
      8       7.9847      0.00000
      9      14.3919      0.00000
     10      15.0609      0.00000
     11      15.2698      0.00000
     12      16.3930      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9266      2.00000
      2       1.7956      2.00000
      3       1.9314      2.00000
      4       2.9389      2.00000
      5       3.1616      2.00000
      6       3.8915      2.00000
      7       4.1605      2.00000
      8       7.5872      0.00000
      9      15.9416      0.00000
     10      16.4727      0.00000
     11      16.7274      0.00000
     12      16.8028      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4223      2.00000
      2       2.2955      2.00000
      3       2.3297      2.00000
      4       2.3731      2.00000
      5       3.1542      2.00000
      6       3.1903      2.00000
      7       3.5024      2.00000
      8       7.3751      0.00003
      9      17.2345      0.00000
     10      17.2745      0.00000
     11      17.4614      0.00000
     12      17.9448      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6393      2.00000
      3       4.3777      2.00000
      4       4.3816      2.00000
      5       5.6035      1.99710
      6       6.1559      1.46672
      7       7.7989      0.00000
      8      11.5710      0.00000
      9      11.5752      0.00000
     10      12.1711      0.00000
     11      12.8613      0.00000
     12      12.9894      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5634      2.00000
      3       3.8387      2.00000
      4       4.4281      2.00000
      5       5.9306      1.92637
      6       6.5075      0.15103
      7       7.9525      0.00000
      8      10.8367      0.00000
      9      11.4791      0.00000
     10      11.8537      0.00000
     11      12.3625      0.00000
     12      12.8463      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6474      2.00000
      3       3.8796      2.00000
      4       4.5749      2.00000
      5       6.1421      1.51882
      6       7.1326      0.00032
      7       8.6224      0.00000
      8       9.8287      0.00000
      9      10.5019      0.00000
     10      11.7640      0.00000
     11      11.8710      0.00000
     12      12.8767      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1368      2.00000
      2       1.6626      2.00000
      3       4.1140      2.00000
      4       4.8182      2.00000
      5       6.3862      0.43118
      6       7.4346      0.00002
      7       8.8231      0.00000
      8       9.4703      0.00000
      9       9.9060      0.00000
     10      10.9700      0.00000
     11      12.0681      0.00000
     12      12.5052      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8082      2.00000
      2       0.7607      2.00000
      3       4.4432      2.00000
      4       5.1544      1.99997
      5       6.6748      0.03020
      6       7.5838      0.00000
      7       8.0334      0.00000
      8       8.5369      0.00000
      9      10.1173      0.00000
     10      11.3459      0.00000
     11      12.1155      0.00000
     12      12.3857      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4177      2.00000
      2      -0.0165      2.00000
      3       4.8477      2.00000
      4       5.5711      1.99790
      5       6.7487      0.01454
      6       7.4439      0.00001
      7       7.7212      0.00000
      8       7.8858      0.00000
      9       9.3427      0.00000
     10      11.6139      0.00000
     11      12.7660      0.00000
     12      13.0930      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0650      2.00000
      2      -0.5637      2.00000
      3       5.2485      1.99992
      4       5.9969      1.86198
      5       6.3353      0.62752
      6       7.0920      0.00047
      7       7.6107      0.00000
      8       8.1165      0.00000
      9       8.6729      0.00000
     10      11.4413      0.00000
     11      13.1115      0.00000
     12      14.1375      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6113      2.00000
      3       4.5244      2.00000
      4       4.5283      2.00000
      5       5.7618      1.98597
      6       6.7610      0.01288
      7       8.5681      0.00000
      8      10.4560      0.00000
      9      10.4583      0.00000
     10      11.4063      0.00000
     11      12.8064      0.00000
     12      13.0047      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6439      2.00000
      3       3.8836      2.00000
      4       4.5747      2.00000
      5       6.1427      1.51673
      6       7.1364      0.00030
      7       8.6174      0.00000
      8       9.8289      0.00000
      9      10.4989      0.00000
     10      11.7919      0.00000
     11      11.8425      0.00000
     12      12.8791      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5814      2.00000
      3       3.0713      2.00000
      4       4.7214      2.00000
      5       6.4050      0.37104
      6       8.0497      0.00000
      7       8.6527      0.00000
      8       9.1577      0.00000
      9      10.4995      0.00000
     10      10.8432      0.00000
     11      11.8448      0.00000
     12      12.6312      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7723      2.00000
      3       3.1257      2.00000
      4       4.9646      2.00000
      5       6.5636      0.08907
      6       7.9159      0.00000
      7       8.5942      0.00000
      8       9.6075      0.00000
      9      10.0328      0.00000
     10      10.9256      0.00000
     11      11.3367      0.00000
     12      12.6360      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6586      2.00000
      2       0.8876      2.00000
      3       3.4287      2.00000
      4       5.3007      1.99986
      5       6.4554      0.24200
      6       7.4642      0.00001
      7       8.6806      0.00000
      8       8.8181      0.00000
      9      10.6458      0.00000
     10      11.2489      0.00000
     11      11.5002      0.00000
     12      12.5253      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2655      2.00000
      2       0.1131      2.00000
      3       3.8131      2.00000
      4       5.7170      1.99101
      5       5.9132      1.93781
      6       7.5723      0.00000
      7       7.8676      0.00000
      8       8.9541      0.00000
      9      10.1152      0.00000
     10      11.6323      0.00000
     11      12.2057      0.00000
     12      12.8456      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9077      2.00000
      2      -0.4373      2.00000
      3       4.1820      2.00000
      4       5.4029      1.99961
      5       6.1421      1.51872
      6       7.2387      0.00011
      7       7.7932      0.00000
      8       8.9599      0.00000
      9       9.8237      0.00000
     10      11.9777      0.00000
     11      11.9936      0.00000
     12      13.3903      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1867      2.00000
      2       1.6183      2.00000
      3       4.7674      2.00000
      4       4.7715      2.00000
      5       6.0244      1.82204
      6       7.0457      0.00075
      7       9.4209      0.00000
      8       9.4224      0.00000
      9       9.8371      0.00000
     10      10.5260      0.00000
     11      12.3264      0.00000
     12      13.2378      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1370      2.00000
      2       1.6596      2.00000
      3       4.1180      2.00000
      4       4.8177      2.00000
      5       6.3866      0.42996
      6       7.4402      0.00001
      7       8.8243      0.00000
      8       9.4688      0.00000
      9       9.8978      0.00000
     10      10.9704      0.00000
     11      12.0648      0.00000
     12      12.5099      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9887      2.00000
      2       1.7696      2.00000
      3       3.1289      2.00000
      4       4.9644      2.00000
      5       6.5637      0.08906
      6       7.9164      0.00000
      7       8.6004      0.00000
      8       9.6062      0.00000
      9      10.0253      0.00000
     10      10.9315      0.00000
     11      11.3303      0.00000
     12      12.6376      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7605      2.00000
      3       2.3761      2.00000
      4       5.2074      1.99994
      5       6.3564      0.54048
      6       7.4597      0.00001
      7       9.7122      0.00000
      8       9.7416      0.00000
      9      10.0197      0.00000
     10      10.3529      0.00000
     11      11.2930      0.00000
     12      12.4462      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4122      2.00000
      2       1.0762      2.00000
      3       2.4672      2.00000
      4       5.5431      1.99842
      5       5.7114      1.99150
      6       7.5377      0.00001
      7       8.9142      0.00000
      8      10.0095      0.00000
      9      10.2087      0.00000
     10      11.0944      0.00000
     11      11.4335      0.00000
     12      12.6281      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0142      2.00000
      2       0.3210      2.00000
      3       2.8117      2.00000
      4       5.0237      1.99999
      5       5.9589      1.90345
      6       7.8023      0.00000
      7       8.1072      0.00000
      8       9.7695      0.00000
      9      10.5919      0.00000
     10      11.1209      0.00000
     11      12.1638      0.00000
     12      12.9236      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6468      2.00000
      2      -0.2332      2.00000
      3       3.1452      2.00000
      4       4.5138      2.00000
      5       6.3832      0.44150
      6       7.4804      0.00001
      7       8.0531      0.00000
      8       9.4671      0.00000
      9      10.9494      0.00000
     10      11.2572      0.00000
     11      12.3546      0.00000
     12      12.4866      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8588      2.00000
      2       0.7146      2.00000
      3       5.1032      1.99998
      4       5.1075      1.99998
      5       6.3896      0.41992
      6       7.2202      0.00013
      7       8.4875      0.00000
      8       8.4878      0.00000
      9       9.6535      0.00000
     10      11.2265      0.00000
     11      12.0093      0.00000
     12      13.5461      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7582      2.00000
      3       4.4471      2.00000
      4       5.1535      1.99997
      5       6.6747      0.03023
      6       7.5889      0.00000
      7       8.0361      0.00000
      8       8.5362      0.00000
      9      10.1172      0.00000
     10      11.3387      0.00000
     11      12.1088      0.00000
     12      12.3922      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6590      2.00000
      2       0.8852      2.00000
      3       3.4320      2.00000
      4       5.3000      1.99986
      5       6.4557      0.24128
      6       7.4646      0.00001
      7       8.6800      0.00000
      8       8.8249      0.00000
      9      10.6475      0.00000
     10      11.2453      0.00000
     11      11.4922      0.00000
     12      12.5272      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4124      2.00000
      2       1.0741      2.00000
      3       2.4697      2.00000
      4       5.5426      1.99842
      5       5.7118      1.99147
      6       7.5377      0.00001
      7       8.9141      0.00000
      8      10.0139      0.00000
      9      10.2104      0.00000
     10      11.0939      0.00000
     11      11.4279      0.00000
     12      12.6271      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0756      2.00000
      2       1.1351      2.00000
      3       1.7989      2.00000
      4       4.9120      2.00000
      5       5.8780      1.95585
      6       7.7942      0.00000
      7       9.1255      0.00000
      8       9.3922      0.00000
      9      10.4710      0.00000
     10      11.3174      0.00000
     11      11.9533      0.00000
     12      12.7749      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5808      2.00000
      3       1.9139      2.00000
      4       4.2063      2.00000
      5       6.2932      0.82105
      6       8.1168      0.00000
      7       8.4319      0.00000
      8       9.6668      0.00000
      9      10.1337      0.00000
     10      11.5137      0.00000
     11      11.9889      0.00000
     12      12.4973      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2856      2.00000
      2       0.0341      2.00000
      3       2.1905      2.00000
      4       3.7187      2.00000
      5       6.7171      0.01990
      6       7.8095      0.00000
      7       8.4046      0.00000
      8       9.7661      0.00000
      9      10.0333      0.00000
     10      11.4182      0.00000
     11      11.6698      0.00000
     12      12.7872      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4695      2.00000
      2      -0.0624      2.00000
      3       5.5192      1.99875
      4       5.5239      1.99869
      5       6.8530      0.00515
      6       7.3441      0.00004
      7       7.6712      0.00000
      8       7.6752      0.00000
      9       8.8364      0.00000
     10      11.4219      0.00000
     11      13.1286      0.00000
     12      13.8913      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0186      2.00000
      3       4.8516      2.00000
      4       5.5694      1.99794
      5       6.7489      0.01452
      6       7.4441      0.00001
      7       7.7225      0.00000
      8       7.8921      0.00000
      9       9.3435      0.00000
     10      11.6133      0.00000
     11      12.7667      0.00000
     12      13.0838      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2661      2.00000
      2       0.1112      2.00000
      3       3.8164      2.00000
      4       5.7155      1.99115
      5       5.9140      1.93731
      6       7.5713      0.00000
      7       7.8698      0.00000
      8       8.9586      0.00000
      9      10.1179      0.00000
     10      11.6283      0.00000
     11      12.2083      0.00000
     12      12.8423      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0146      2.00000
      2       0.3192      2.00000
      3       2.8143      2.00000
      4       5.0243      1.99999
      5       5.9577      1.90457
      6       7.8007      0.00000
      7       8.1104      0.00000
      8       9.7697      0.00000
      9      10.5941      0.00000
     10      11.1221      0.00000
     11      12.1644      0.00000
     12      12.9192      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6696      2.00000
      2       0.5793      2.00000
      3       1.9157      2.00000
      4       4.2066      2.00000
      5       6.2925      0.82482
      6       8.1146      0.00000
      7       8.4367      0.00000
      8       9.6656      0.00000
      9      10.1307      0.00000
     10      11.5165      0.00000
     11      11.9891      0.00000
     12      12.5041      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2482      2.00000
      2       0.7148      2.00000
      3       1.2955      2.00000
      4       3.5181      2.00000
      5       6.7076      0.02185
      6       8.4847      0.00000
      7       8.7420      0.00000
      8       8.9484      0.00000
      9      10.1833      0.00000
     10      11.0375      0.00000
     11      11.1922      0.00000
     12      13.5191      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8337      2.00000
      2       0.3259      2.00000
      3       1.3423      2.00000
      4       3.0674      2.00000
      5       7.1336      0.00031
      6       8.2024      0.00000
      7       8.8331      0.00000
      8       9.2301      0.00000
      9       9.9481      0.00000
     10      10.6165      0.00000
     11      10.8990      0.00000
     12      13.4381      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1186      2.00000
      2      -0.6080      2.00000
      3       5.9435      1.91670
      4       5.9495      1.91174
      5       7.0357      0.00083
      6       7.0453      0.00075
      7       7.4155      0.00002
      8       7.4206      0.00002
      9       8.1035      0.00000
     10      11.2690      0.00000
     11      14.1645      0.00000
     12      14.5269      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5654      2.00000
      3       5.2526      1.99991
      4       5.9936      1.86612
      5       6.3360      0.62461
      6       7.0928      0.00047
      7       7.6138      0.00000
      8       8.1200      0.00000
      9       8.6756      0.00000
     10      11.4409      0.00000
     11      13.1098      0.00000
     12      14.1401      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9085      2.00000
      2      -0.4389      2.00000
      3       4.1854      2.00000
      4       5.4037      1.99961
      5       6.1390      1.53002
      6       7.2395      0.00011
      7       7.7961      0.00000
      8       8.9597      0.00000
      9       9.8305      0.00000
     10      11.9634      0.00000
     11      12.0030      0.00000
     12      13.3989      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6475      2.00000
      2      -0.2347      2.00000
      3       3.1478      2.00000
      4       4.5145      2.00000
      5       6.3804      0.45133
      6       7.4810      0.00001
      7       8.0567      0.00000
      8       9.4648      0.00000
      9      10.9542      0.00000
     10      11.2556      0.00000
     11      12.3486      0.00000
     12      12.4931      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2861      2.00000
      2       0.0328      2.00000
      3       2.1925      2.00000
      4       3.7191      2.00000
      5       6.7147      0.02037
      6       7.8098      0.00000
      7       8.4099      0.00000
      8       9.7633      0.00000
      9      10.0277      0.00000
     10      11.4233      0.00000
     11      11.6710      0.00000
     12      12.7945      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8340      2.00000
      2       0.3248      2.00000
      3       1.3437      2.00000
      4       3.0676      2.00000
      5       7.1320      0.00032
      6       8.2020      0.00000
      7       8.8487      0.00000
      8       9.2152      0.00000
      9       9.9433      0.00000
     10      10.6231      0.00000
     11      10.8990      0.00000
     12      13.4379      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3487      2.00000
      2       0.5038      2.00000
      3       0.7056      2.00000
      4       2.6612      2.00000
      5       7.5703      0.00000
      6       8.5290      0.00000
      7       8.6096      0.00000
      8       9.3221      0.00000
      9       9.9981      0.00000
     10      10.0641      0.00000
     11      10.2868      0.00000
     12      13.3318      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6438      2.00000
      3       3.8807      2.00000
      4       4.5773      2.00000
      5       6.1478      1.49793
      6       7.1319      0.00032
      7       8.6168      0.00000
      8       9.8282      0.00000
      9      10.4991      0.00000
     10      11.7953      0.00000
     11      11.8434      0.00000
     12      12.8735      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6797      2.00000
      3       3.7666      2.00000
      4       4.1254      2.00000
      5       6.7044      0.02255
      6       7.3004      0.00006
      7       8.6616      0.00000
      8       9.6981      0.00000
      9      10.0557      0.00000
     10      11.1934      0.00000
     11      12.2586      0.00000
     12      13.2296      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6327      2.00000
      3       3.0701      2.00000
      4       4.1455      2.00000
      5       7.0852      0.00051
      6       8.0909      0.00000
      7       8.7017      0.00000
      8       9.0971      0.00000
      9       9.8224      0.00000
     10      10.4913      0.00000
     11      12.4843      0.00000
     12      13.1060      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9388      2.00000
      2       1.8171      2.00000
      3       3.1480      2.00000
      4       4.3614      2.00000
      5       7.1846      0.00019
      6       8.0215      0.00000
      7       8.4990      0.00000
      8       9.1916      0.00000
      9       9.9033      0.00000
     10      10.6047      0.00000
     11      11.9369      0.00000
     12      13.1310      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6085      2.00000
      2       0.9325      2.00000
      3       3.4596      2.00000
      4       4.6652      2.00000
      5       6.7380      0.01617
      6       7.8562      0.00000
      7       8.0812      0.00000
      8       9.1123      0.00000
      9      10.5280      0.00000
     10      11.1529      0.00000
     11      11.7042      0.00000
     12      12.8222      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       0.1579      2.00000
      3       3.8517      2.00000
      4       5.0230      1.99999
      5       6.0474      1.78107
      6       7.2996      0.00006
      7       8.2566      0.00000
      8       9.2716      0.00000
      9      10.4464      0.00000
     10      10.9514      0.00000
     11      12.3346      0.00000
     12      13.1528      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8552      2.00000
      2      -0.3938      2.00000
      3       4.2293      2.00000
      4       5.2825      1.99988
      5       5.5670      1.99799
      6       6.8016      0.00859
      7       8.5591      0.00000
      8       9.4172      0.00000
      9       9.9378      0.00000
     10      11.2911      0.00000
     11      11.9783      0.00000
     12      13.0349      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6595      2.00000
      3       4.1149      2.00000
      4       4.8204      2.00000
      5       6.3918      0.41257
      6       7.4348      0.00002
      7       8.8236      0.00000
      8       9.4694      0.00000
      9       9.8983      0.00000
     10      10.9727      0.00000
     11      12.0678      0.00000
     12      12.5011      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0873      2.00000
      2       1.7015      2.00000
      3       4.0183      2.00000
      4       4.3388      2.00000
      5       6.9464      0.00203
      6       7.5967      0.00000
      7       8.6976      0.00000
      8       9.0950      0.00000
      9       9.9679      0.00000
     10      11.3751      0.00000
     11      11.4272      0.00000
     12      12.7741      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9389      2.00000
      2       1.8144      2.00000
      3       3.1510      2.00000
      4       4.3614      2.00000
      5       7.1843      0.00019
      6       8.0220      0.00000
      7       8.5039      0.00000
      8       9.1916      0.00000
      9       9.8992      0.00000
     10      10.6044      0.00000
     11      11.9334      0.00000
     12      13.1321      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8124      2.00000
      3       2.4041      2.00000
      4       4.5743      2.00000
      5       6.6588      0.03537
      6       7.9112      0.00000
      7       8.9612      0.00000
      8       9.4158      0.00000
      9       9.9117      0.00000
     10      10.6826      0.00000
     11      11.9741      0.00000
     12      12.8208      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3619      2.00000
      2       1.1236      2.00000
      3       2.5052      2.00000
      4       4.8521      2.00000
      5       5.9059      1.94204
      6       8.0852      0.00000
      7       8.3589      0.00000
      8       9.6022      0.00000
      9      10.3427      0.00000
     10      11.5391      0.00000
     11      11.7884      0.00000
     12      12.8195      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9632      2.00000
      2       0.3671      2.00000
      3       2.8551      2.00000
      4       4.9213      2.00000
      5       5.4894      1.99907
      6       7.5282      0.00001
      7       8.5207      0.00000
      8       9.9325      0.00000
      9      10.3441      0.00000
     10      11.2549      0.00000
     11      12.3443      0.00000
     12      12.8047      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5945      2.00000
      2      -0.1885      2.00000
      3       3.1944      2.00000
      4       4.5143      2.00000
      5       5.7245      1.99031
      6       6.9982      0.00121
      7       8.8181      0.00000
      8       9.9959      0.00000
      9      10.3180      0.00000
     10      11.2915      0.00000
     11      11.8059      0.00000
     12      13.0901      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8087      2.00000
      2       0.7581      2.00000
      3       4.4439      2.00000
      4       5.1564      1.99997
      5       6.6801      0.02868
      6       7.5815      0.00000
      7       8.0385      0.00000
      8       8.5360      0.00000
      9      10.1196      0.00000
     10      11.3378      0.00000
     11      12.1122      0.00000
     12      12.3852      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7586      2.00000
      2       0.8020      2.00000
      3       4.3682      2.00000
      4       4.6365      2.00000
      5       7.2143      0.00014
      6       7.6059      0.00000
      7       7.8497      0.00000
      8       8.4810      0.00000
      9      10.5657      0.00000
     10      11.3327      0.00000
     11      11.6484      0.00000
     12      12.4220      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6088      2.00000
      2       0.9302      2.00000
      3       3.4626      2.00000
      4       4.6649      2.00000
      5       6.7380      0.01617
      6       7.8547      0.00000
      7       8.0840      0.00000
      8       9.1182      0.00000
      9      10.5310      0.00000
     10      11.1481      0.00000
     11      11.6961      0.00000
     12      12.8223      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3621      2.00000
      2       1.1216      2.00000
      3       2.5076      2.00000
      4       4.8519      2.00000
      5       5.9060      1.94197
      6       8.0833      0.00000
      7       8.3613      0.00000
      8       9.6027      0.00000
      9      10.3489      0.00000
     10      11.5366      0.00000
     11      11.7811      0.00000
     12      12.8219      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0251      2.00000
      2       1.1873      2.00000
      3       1.8363      2.00000
      4       4.8110      2.00000
      5       5.4350      1.99946
      6       8.3612      0.00000
      7       8.4694      0.00000
      8       8.9547      0.00000
      9      11.1889      0.00000
     10      11.8069      0.00000
     11      12.0399      0.00000
     12      12.1534      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6183      2.00000
      2       0.6293      2.00000
      3       1.9584      2.00000
      4       4.2136      2.00000
      5       5.7024      1.99223
      6       7.8205      0.00000
      7       8.8119      0.00000
      8       9.0950      0.00000
      9      10.8211      0.00000
     10      11.4642      0.00000
     11      12.1813      0.00000
     12      12.6144      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2334      2.00000
      2       0.0806      2.00000
      3       2.2406      2.00000
      4       3.7362      2.00000
      5       6.0560      1.76376
      6       7.2799      0.00007
      7       9.1361      0.00000
      8       9.3965      0.00000
      9      10.3090      0.00000
     10      11.0845      0.00000
     11      12.4033      0.00000
     12      12.8567      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4185      2.00000
      2      -0.0186      2.00000
      3       4.8480      2.00000
      4       5.5727      1.99787
      5       6.7496      0.01442
      6       7.4493      0.00001
      7       7.7200      0.00000
      8       7.8896      0.00000
      9       9.3443      0.00000
     10      11.6122      0.00000
     11      12.7654      0.00000
     12      13.0840      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3675      2.00000
      2       0.0255      2.00000
      3       4.8084      2.00000
      4       4.9874      1.99999
      5       6.8201      0.00715
      6       7.2151      0.00014
      7       7.8667      0.00000
      8       8.3029      0.00000
      9       9.7576      0.00000
     10      11.6873      0.00000
     11      12.0900      0.00000
     12      13.2288      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2152      2.00000
      2       0.1559      2.00000
      3       3.8548      2.00000
      4       5.0222      1.99999
      5       6.0476      1.78076
      6       7.2998      0.00006
      7       8.2580      0.00000
      8       9.2777      0.00000
      9      10.4511      0.00000
     10      10.9457      0.00000
     11      12.3338      0.00000
     12      13.1468      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9637      2.00000
      2       0.3652      2.00000
      3       2.8577      2.00000
      4       4.9216      2.00000
      5       5.4887      1.99908
      6       7.5278      0.00001
      7       8.5231      0.00000
      8       9.9326      0.00000
      9      10.3461      0.00000
     10      11.2557      0.00000
     11      12.3453      0.00000
     12      12.8042      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6186      2.00000
      2       0.6278      2.00000
      3       1.9602      2.00000
      4       4.2139      2.00000
      5       5.7017      1.99228
      6       7.8196      0.00000
      7       8.8222      0.00000
      8       9.0862      0.00000
      9      10.8172      0.00000
     10      11.4684      0.00000
     11      12.1831      0.00000
     12      12.6191      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.1969      2.00000
      2       0.7672      2.00000
      3       1.3397      2.00000
      4       3.5391      2.00000
      5       6.0851      1.69613
      6       8.0136      0.00000
      7       8.4363      0.00000
      8       9.2161      0.00000
      9      10.6899      0.00000
     10      10.9833      0.00000
     11      11.7551      0.00000
     12      13.9213      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7817      2.00000
      2       0.3753      2.00000
      3       1.3929      2.00000
      4       3.0890      2.00000
      5       6.4761      0.20117
      6       7.6006      0.00000
      7       8.5558      0.00000
      8       9.5862      0.00000
      9      10.1445      0.00000
     10      10.7933      0.00000
     11      11.6493      0.00000
     12      13.8552      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5654      2.00000
      3       5.2484      1.99992
      4       5.9980      1.86047
      5       6.3345      0.63113
      6       7.0944      0.00046
      7       7.6185      0.00000
      8       8.1181      0.00000
      9       8.6735      0.00000
     10      11.4398      0.00000
     11      13.1101      0.00000
     12      14.1414      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0134      2.00000
      2      -0.5225      2.00000
      3       5.2736      1.99989
      4       5.3143      1.99984
      5       6.1683      1.41660
      6       6.7922      0.00944
      7       8.3190      0.00000
      8       8.3855      0.00000
      9       9.0295      0.00000
     10      11.5643      0.00000
     11      12.3708      0.00000
     12      13.8884      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8561      2.00000
      2      -0.3954      2.00000
      3       4.2326      2.00000
      4       5.2823      1.99988
      5       5.5655      1.99802
      6       6.8029      0.00848
      7       8.5611      0.00000
      8       9.4192      0.00000
      9       9.9437      0.00000
     10      11.2873      0.00000
     11      11.9754      0.00000
     12      13.0462      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.5952      2.00000
      2      -0.1900      2.00000
      3       3.1970      2.00000
      4       4.5149      2.00000
      5       5.7224      1.99051
      6       6.9992      0.00120
      7       8.8218      0.00000
      8       9.9943      0.00000
      9      10.3154      0.00000
     10      11.2963      0.00000
     11      11.8076      0.00000
     12      13.0967      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2339      2.00000
      2       0.0793      2.00000
      3       2.2426      2.00000
      4       3.7366      2.00000
      5       6.0543      1.76728
      6       7.2807      0.00007
      7       9.1581      0.00000
      8       9.3746      0.00000
      9      10.3034      0.00000
     10      11.0910      0.00000
     11      12.4052      0.00000
     12      12.8633      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7819      2.00000
      2       0.3741      2.00000
      3       1.3943      2.00000
      4       3.0892      2.00000
      5       6.4751      0.20314
      6       7.6012      0.00000
      7       8.5592      0.00000
      8       9.5824      0.00000
      9      10.1408      0.00000
     10      10.7983      0.00000
     11      11.6493      0.00000
     12      13.8553      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.2966      2.00000
      2       0.5562      2.00000
      3       0.7566      2.00000
      4       2.6821      2.00000
      5       6.9202      0.00263
      6       7.8178      0.00000
      7       7.9637      0.00000
      8       9.7148      0.00000
      9      10.0882      0.00000
     10      10.8078      0.00000
     11      11.0564      0.00000
     12      13.7145      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9888      2.00000
      2       1.7694      2.00000
      3       3.1260      2.00000
      4       4.9669      2.00000
      5       6.5703      0.08358
      6       7.9131      0.00000
      7       8.5963      0.00000
      8       9.6061      0.00000
      9      10.0257      0.00000
     10      10.9331      0.00000
     11      11.3353      0.00000
     12      12.6379      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8142      2.00000
      3       3.1484      2.00000
      4       4.3642      2.00000
      5       7.1889      0.00018
      6       8.0205      0.00000
      7       8.5016      0.00000
      8       9.1906      0.00000
      9       9.8994      0.00000
     10      10.6048      0.00000
     11      11.9378      0.00000
     12      13.1315      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7903      2.00000
      2       1.9387      2.00000
      3       3.0438      2.00000
      4       3.6111      2.00000
      5       7.6256      0.00000
      6       7.9994      0.00000
      7       8.6186      0.00000
      8       9.0846      0.00000
      9       9.3074      0.00000
     10      10.5950      0.00000
     11      12.7752      0.00000
     12      13.6458      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5455      2.00000
      2       1.9677      2.00000
      3       2.4556      2.00000
      4       3.6322      2.00000
      5       6.8636      0.00463
      6       7.9171      0.00000
      7       8.5396      0.00000
      8       9.1009      0.00000
      9      10.0714      0.00000
     10      10.9322      0.00000
     11      13.0319      0.00000
     12      13.1093      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2117      2.00000
      2       1.2635      2.00000
      3       2.6055      2.00000
      4       3.8888      2.00000
      5       6.0115      1.84194
      6       7.3187      0.00005
      7       8.6468      0.00000
      8       9.4168      0.00000
      9      10.6282      0.00000
     10      11.8671      0.00000
     11      12.3527      0.00000
     12      12.6906      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8109      2.00000
      2       0.5038      2.00000
      3       2.9785      2.00000
      4       4.1980      2.00000
      5       5.2617      1.99990
      6       6.6654      0.03313
      7       8.9692      0.00000
      8       9.7769      0.00000
      9      10.8983      0.00000
     10      11.3849      0.00000
     11      12.0361      0.00000
     12      13.5837      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4378      2.00000
      2      -0.0559      2.00000
      3       3.3403      2.00000
      4       4.4074      2.00000
      5       4.7666      2.00000
      6       6.2227      1.16990
      7       9.2499      0.00000
      8      10.1393      0.00000
      9      10.8085      0.00000
     10      11.1122      0.00000
     11      11.5722      0.00000
     12      13.4998      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6592      2.00000
      2       0.8851      2.00000
      3       3.4289      2.00000
      4       5.3027      1.99986
      5       6.4571      0.23841
      6       7.4691      0.00001
      7       8.6797      0.00000
      8       8.8196      0.00000
      9      10.6530      0.00000
     10      11.2464      0.00000
     11      11.4919      0.00000
     12      12.5218      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9300      2.00000
      3       3.4598      2.00000
      4       4.6678      2.00000
      5       6.7367      0.01638
      6       7.8654      0.00000
      7       8.0797      0.00000
      8       9.1129      0.00000
      9      10.5317      0.00000
     10      11.1533      0.00000
     11      11.6948      0.00000
     12      12.8188      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4590      2.00000
      2       1.0618      2.00000
      3       3.4000      2.00000
      4       3.8514      2.00000
      5       6.7318      0.01721
      6       7.3090      0.00005
      7       8.9248      0.00000
      8       9.3971      0.00000
      9       9.6709      0.00000
     10      11.8287      0.00000
     11      12.0280      0.00000
     12      12.9237      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2119      2.00000
      2       1.2615      2.00000
      3       2.6077      2.00000
      4       3.8887      2.00000
      5       6.0113      1.84227
      6       7.3185      0.00005
      7       8.6498      0.00000
      8       9.4153      0.00000
      9      10.6349      0.00000
     10      11.8635      0.00000
     11      12.3449      0.00000
     12      12.6926      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       1.3435      2.00000
      3       1.9427      2.00000
      4       4.1195      2.00000
      5       5.2389      1.99992
      6       7.3387      0.00004
      7       8.0489      0.00000
      8       9.7313      0.00000
      9      11.2765      0.00000
     10      11.8866      0.00000
     11      12.5400      0.00000
     12      12.7938      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4657      2.00000
      2       0.7739      2.00000
      3       2.0895      2.00000
      4       4.1379      2.00000
      5       4.8457      2.00000
      6       6.8529      0.00515
      7       8.1219      0.00000
      8      10.0387      0.00000
      9      10.6850      0.00000
     10      12.0011      0.00000
     11      12.8452      0.00000
     12      13.3157      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0771      2.00000
      2       0.2190      2.00000
      3       2.3902      2.00000
      4       3.7749      2.00000
      5       5.0147      1.99999
      6       6.3861      0.43164
      7       8.3402      0.00000
      8      10.0588      0.00000
      9      10.5430      0.00000
     10      11.6780      0.00000
     11      13.0059      0.00000
     12      13.6673      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2663      2.00000
      2       0.1110      2.00000
      3       3.8131      2.00000
      4       5.7187      1.99086
      5       5.9124      1.93827
      6       7.5830      0.00000
      7       7.8655      0.00000
      8       8.9566      0.00000
      9      10.1186      0.00000
     10      11.6311      0.00000
     11      12.2002      0.00000
     12      12.8456      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2153      2.00000
      2       0.1558      2.00000
      3       3.8517      2.00000
      4       5.0252      1.99999
      5       6.0461      1.78372
      6       7.3025      0.00006
      7       8.2631      0.00000
      8       9.2728      0.00000
      9      10.4534      0.00000
     10      10.9464      0.00000
     11      12.3301      0.00000
     12      13.1486      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0630      2.00000
      2       0.2884      2.00000
      3       3.8507      2.00000
      4       4.1406      2.00000
      5       5.8988      1.94590
      6       6.6920      0.02550
      7       9.3597      0.00000
      8       9.6959      0.00000
      9       9.9411      0.00000
     10      11.2580      0.00000
     11      12.1503      0.00000
     12      12.9855      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8114      2.00000
      2       0.5020      2.00000
      3       2.9809      2.00000
      4       4.1976      2.00000
      5       5.2614      1.99991
      6       6.6660      0.03293
      7       8.9737      0.00000
      8       9.7737      0.00000
      9      10.9050      0.00000
     10      11.3827      0.00000
     11      12.0379      0.00000
     12      13.5799      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4660      2.00000
      2       0.7723      2.00000
      3       2.0914      2.00000
      4       4.1380      2.00000
      5       4.8452      2.00000
      6       6.8530      0.00515
      7       8.1234      0.00000
      8      10.0379      0.00000
      9      10.6841      0.00000
     10      12.0035      0.00000
     11      12.8521      0.00000
     12      13.3130      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0435      2.00000
      2       0.9239      2.00000
      3       1.4703      2.00000
      4       3.5892      2.00000
      5       5.0886      1.99998
      6       6.9433      0.00209
      7       7.5407      0.00001
      8       9.8478      0.00000
      9      10.6270      0.00000
     10      12.2775      0.00000
     11      12.9047      0.00000
     12      14.0777      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6258      2.00000
      2       0.5226      2.00000
      3       1.5441      2.00000
      4       3.1494      2.00000
      5       5.4307      1.99948
      6       6.6097      0.05713
      7       7.5320      0.00001
      8       9.4954      0.00000
      9      10.9404      0.00000
     10      11.9962      0.00000
     11      12.9254      0.00000
     12      14.5565      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9087      2.00000
      2      -0.4391      2.00000
      3       4.1818      2.00000
      4       5.4020      1.99961
      5       6.1433      1.51433
      6       7.2410      0.00011
      7       7.8012      0.00000
      8       8.9638      0.00000
      9       9.8245      0.00000
     10      11.9789      0.00000
     11      11.9858      0.00000
     12      13.3967      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8562      2.00000
      2      -0.3955      2.00000
      3       4.2291      2.00000
      4       5.2828      1.99988
      5       5.5677      1.99797
      6       6.8042      0.00838
      7       8.5672      0.00000
      8       9.4198      0.00000
      9       9.9398      0.00000
     10      11.2881      0.00000
     11      11.9736      0.00000
     12      13.0412      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.6990      2.00000
      2      -0.2665      2.00000
      3       4.3452      2.00000
      4       4.3875      2.00000
      5       5.1942      1.99995
      6       6.2924      0.82499
      7       9.8250      0.00000
      8       9.8925      0.00000
      9      10.2719      0.00000
     10      10.5577      0.00000
     11      11.5891      0.00000
     12      12.9212      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4384      2.00000
      2      -0.0574      2.00000
      3       3.3429      2.00000
      4       4.4071      2.00000
      5       4.7651      2.00000
      6       6.2243      1.16257
      7       9.2562      0.00000
      8      10.1338      0.00000
      9      10.8044      0.00000
     10      11.1180      0.00000
     11      11.5777      0.00000
     12      13.5072      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0775      2.00000
      2       0.2176      2.00000
      3       2.3922      2.00000
      4       3.7751      2.00000
      5       5.0132      1.99999
      6       6.3872      0.42772
      7       8.3423      0.00000
      8      10.0579      0.00000
      9      10.5404      0.00000
     10      11.6801      0.00000
     11      13.0150      0.00000
     12      13.6664      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6259      2.00000
      2       0.5213      2.00000
      3       1.5456      2.00000
      4       3.1495      2.00000
      5       5.4298      1.99949
      6       6.6107      0.05656
      7       7.5324      0.00001
      8       9.4951      0.00000
      9      10.9390      0.00000
     10      11.9978      0.00000
     11      12.9253      0.00000
     12      14.5642      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1408      2.00000
      2       0.7132      2.00000
      3       0.9091      2.00000
      4       2.7419      2.00000
      5       5.8765      1.95647
      6       6.7442      0.01521
      7       6.9302      0.00238
      8       9.1431      0.00000
      9      11.3854      0.00000
     10      12.1311      0.00000
     11      12.3491      0.00000
     12      14.6302      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4127      2.00000
      2       1.0738      2.00000
      3       2.4672      2.00000
      4       5.5451      1.99838
      5       5.7106      1.99157
      6       7.5463      0.00001
      7       8.9128      0.00000
      8      10.0117      0.00000
      9      10.2125      0.00000
     10      11.0943      0.00000
     11      11.4310      0.00000
     12      12.6280      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3624      2.00000
      2       1.1212      2.00000
      3       2.5051      2.00000
      4       4.8545      2.00000
      5       5.9046      1.94277
      6       8.0967      0.00000
      7       8.3562      0.00000
      8       9.6038      0.00000
      9      10.3428      0.00000
     10      11.5428      0.00000
     11      11.7814      0.00000
     12      12.8257      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2122      2.00000
      2       1.2613      2.00000
      3       2.6055      2.00000
      4       3.8911      2.00000
      5       6.0097      1.84449
      6       7.3209      0.00005
      7       8.6507      0.00000
      8       9.4210      0.00000
      9      10.6277      0.00000
     10      11.8646      0.00000
     11      12.3500      0.00000
     12      12.6910      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9643      2.00000
      2       1.4800      2.00000
      3       2.5862      2.00000
      4       3.1542      2.00000
      5       5.9539      1.90793
      6       6.5484      0.10301
      7       7.8202      0.00000
      8      10.6622      0.00000
      9      10.8579      0.00000
     10      11.3774      0.00000
     11      12.5396      0.00000
     12      13.5743      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6251      2.00000
      2       1.6030      2.00000
      3       2.0820      2.00000
      4       3.2282      2.00000
      5       5.3103      1.99985
      6       6.3080      0.75058
      7       7.2562      0.00009
      8      10.3465      0.00000
      9      11.2286      0.00000
     10      12.2131      0.00000
     11      13.0098      0.00000
     12      13.9533      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2136      2.00000
      2       1.0097      2.00000
      3       2.2949      2.00000
      4       3.5083      2.00000
      5       4.5843      2.00000
      6       5.9188      1.93432
      7       7.2069      0.00015
      8       9.7499      0.00000
      9      11.6149      0.00000
     10      12.7697      0.00000
     11      13.6227      0.00000
     12      14.2420      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8179      2.00000
      2       0.4449      2.00000
      3       2.6359      2.00000
      4       3.7134      2.00000
      5       4.0850      2.00000
      6       5.5495      1.99831
      7       7.3390      0.00004
      8       9.3711      0.00000
      9      11.9781      0.00000
     10      12.8741      0.00000
     11      13.3003      0.00000
     12      14.9020      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0150      2.00000
      2       0.3188      2.00000
      3       2.8116      2.00000
      4       5.0227      1.99999
      5       5.9606      1.90192
      6       7.8139      0.00000
      7       8.1048      0.00000
      8       9.7748      0.00000
      9      10.5958      0.00000
     10      11.1167      0.00000
     11      12.1676      0.00000
     12      12.9258      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       0.3650      2.00000
      3       2.8550      2.00000
      4       4.9213      2.00000
      5       5.4904      1.99906
      6       7.5308      0.00001
      7       8.5285      0.00000
      8       9.9343      0.00000
      9      10.3466      0.00000
     10      11.2542      0.00000
     11      12.3457      0.00000
     12      12.8042      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8116      2.00000
      2       0.5018      2.00000
      3       2.9785      2.00000
      4       4.1999      2.00000
      5       5.2604      1.99991
      6       6.6678      0.03238
      7       8.9745      0.00000
      8       9.7803      0.00000
      9      10.8981      0.00000
     10      11.3866      0.00000
     11      12.0372      0.00000
     12      13.5789      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5598      2.00000
      2       0.7232      2.00000
      3       3.0412      2.00000
      4       3.3947      2.00000
      5       5.1057      1.99998
      6       6.0292      1.81420
      7       8.0360      0.00000
      8      10.4489      0.00000
      9      11.0969      0.00000
     10      11.5126      0.00000
     11      12.9366      0.00000
     12      13.9331      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2138      2.00000
      2       1.0081      2.00000
      3       2.2967      2.00000
      4       3.5081      2.00000
      5       4.5837      2.00000
      6       5.9198      1.93367
      7       7.2074      0.00015
      8       9.7501      0.00000
      9      11.6141      0.00000
     10      12.7775      0.00000
     11      13.6229      0.00000
     12      14.2342      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7896      2.00000
      2       1.1843      2.00000
      3       1.6792      2.00000
      4       3.5572      2.00000
      5       4.2328      2.00000
      6       5.9072      1.94130
      7       6.6360      0.04420
      8       9.1725      0.00000
      9      12.0188      0.00000
     10      13.6317      0.00000
     11      14.1972      0.00000
     12      14.3579      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3672      2.00000
      2       0.7647      2.00000
      3       1.7938      2.00000
      4       3.2305      2.00000
      5       4.4146      2.00000
      6       5.6388      1.99588
      7       6.5264      0.12678
      8       8.8311      0.00000
      9      12.3997      0.00000
     10      13.3741      0.00000
     11      14.3266      0.00000
     12      14.8137      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6479      2.00000
      2      -0.2349      2.00000
      3       3.1449      2.00000
      4       4.5129      2.00000
      5       6.3845      0.43717
      6       7.4825      0.00001
      7       8.0616      0.00000
      8       9.4726      0.00000
      9      10.9566      0.00000
     10      11.2476      0.00000
     11      12.3641      0.00000
     12      12.4847      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.5955      2.00000
      2      -0.1903      2.00000
      3       3.1942      2.00000
      4       4.5134      2.00000
      5       5.7263      1.99014
      6       7.0006      0.00118
      7       8.8278      0.00000
      8      10.0008      0.00000
      9      10.3171      0.00000
     10      11.2891      0.00000
     11      11.8070      0.00000
     12      13.0872      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4386      2.00000
      2      -0.0576      2.00000
      3       3.3402      2.00000
      4       4.4074      2.00000
      5       4.7670      2.00000
      6       6.2254      1.15687
      7       9.2570      0.00000
      8      10.1408      0.00000
      9      10.8094      0.00000
     10      11.1142      0.00000
     11      11.5721      0.00000
     12      13.5007      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1785      2.00000
      2       0.1579      2.00000
      3       3.5492      2.00000
      4       3.6005      2.00000
      5       4.3908      2.00000
      6       5.6755      1.99406
      7       8.2596      0.00000
      8      10.0638      0.00000
      9      11.5925      0.00000
     10      11.6451      0.00000
     11      12.2890      0.00000
     12      14.0132      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8182      2.00000
      2       0.4433      2.00000
      3       2.6380      2.00000
      4       3.7130      2.00000
      5       4.0836      2.00000
      6       5.5514      1.99828
      7       7.3397      0.00004
      8       9.3714      0.00000
      9      11.9767      0.00000
     10      12.8767      0.00000
     11      13.3076      0.00000
     12      14.9092      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3673      2.00000
      2       0.7632      2.00000
      3       1.7955      2.00000
      4       3.2305      2.00000
      5       4.4135      2.00000
      6       5.6403      1.99581
      7       6.5261      0.12711
      8       8.8312      0.00000
      9      12.3987      0.00000
     10      13.3751      0.00000
     11      14.3273      0.00000
     12      14.8212      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1178      2.00000
      2       0.9740      2.00000
      3       1.1611      2.00000
      4       2.8318      2.00000
      5       4.8525      2.00000
      6       5.7057      1.99197
      7       5.9169      1.93549
      8       8.5234      0.00000
      9      12.8467      0.00000
     10      13.5729      0.00000
     11      13.7774      0.00000
     12      15.8040      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6703      2.00000
      2       0.5787      2.00000
      3       1.9136      2.00000
      4       4.2053      2.00000
      5       6.2949      0.81292
      6       8.1295      0.00000
      7       8.4289      0.00000
      8       9.6689      0.00000
      9      10.1379      0.00000
     10      11.5199      0.00000
     11      11.9925      0.00000
     12      12.4913      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6192      2.00000
      2       0.6273      2.00000
      3       1.9582      2.00000
      4       4.2127      2.00000
      5       5.7045      1.99207
      6       7.8230      0.00000
      7       8.8271      0.00000
      8       9.0881      0.00000
      9      10.8253      0.00000
     10      11.4678      0.00000
     11      12.1843      0.00000
     12      12.6119      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4665      2.00000
      2       0.7719      2.00000
      3       2.0894      2.00000
      4       4.1378      2.00000
      5       4.8467      2.00000
      6       6.8551      0.00504
      7       8.1247      0.00000
      8      10.0442      0.00000
      9      10.6860      0.00000
     10      12.0047      0.00000
     11      12.8460      0.00000
     12      13.3177      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2141      2.00000
      2       1.0079      2.00000
      3       2.2950      2.00000
      4       3.5097      2.00000
      5       4.5832      2.00000
      6       5.9211      1.93283
      7       7.2081      0.00015
      8       9.7509      0.00000
      9      11.6209      0.00000
     10      12.7709      0.00000
     11      13.6259      0.00000
     12      14.2349      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8669      2.00000
      2       1.3194      2.00000
      3       2.4223      2.00000
      4       2.8169      2.00000
      5       4.4997      2.00000
      6       5.2025      1.99995
      7       6.4042      0.37333
      8       9.0730      0.00000
      9      12.9888      0.00000
     10      13.3112      0.00000
     11      14.6428      0.00000
     12      14.6730      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4397      2.00000
      2       1.5462      2.00000
      3       1.9396      2.00000
      4       2.9889      2.00000
      5       4.0273      2.00000
      6       4.9526      2.00000
      7       5.8215      1.97466
      8       8.5463      0.00000
      9      13.5356      0.00000
     10      14.5151      0.00000
     11      15.1239      0.00000
     12      15.2189      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0090      2.00000
      2       1.0934      2.00000
      3       2.1365      2.00000
      4       3.2186      2.00000
      5       3.5691      2.00000
      6       4.7727      2.00000
      7       5.6015      1.99716
      8       8.2498      0.00000
      9      13.9401      0.00000
     10      14.7591      0.00000
     11      15.1558      0.00000
     12      15.7501      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2868      2.00000
      2       0.0322      2.00000
      3       2.1903      2.00000
      4       3.7179      2.00000
      5       6.7185      0.01962
      6       7.8112      0.00000
      7       8.4143      0.00000
      8       9.7729      0.00000
      9      10.0302      0.00000
     10      11.4239      0.00000
     11      11.6741      0.00000
     12      12.7843      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2346      2.00000
      2       0.0788      2.00000
      3       2.2405      2.00000
      4       3.7354      2.00000
      5       6.0579      1.75992
      6       7.2822      0.00007
      7       9.1637      0.00000
      8       9.3770      0.00000
      9      10.3124      0.00000
     10      11.0895      0.00000
     11      12.4090      0.00000
     12      12.8537      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0781      2.00000
      2       0.2172      2.00000
      3       2.3902      2.00000
      4       3.7740      2.00000
      5       5.0160      1.99999
      6       6.3887      0.42283
      7       8.3438      0.00000
      8      10.0607      0.00000
      9      10.5464      0.00000
     10      11.6839      0.00000
     11      13.0064      0.00000
     12      13.6705      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8186      2.00000
      2       0.4431      2.00000
      3       2.6362      2.00000
      4       3.7132      2.00000
      5       4.0849      2.00000
      6       5.5524      1.99826
      7       7.3404      0.00004
      8       9.3721      0.00000
      9      11.9840      0.00000
     10      12.8784      0.00000
     11      13.3014      0.00000
     12      14.9007      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4591      2.00000
      2       0.7451      2.00000
      3       2.9351      2.00000
      4       3.0021      2.00000
      5       3.7820      2.00000
      6       4.9686      1.99999
      7       6.4166      0.33716
      8       8.7335      0.00000
      9      13.4608      0.00000
     10      13.5817      0.00000
     11      14.1468      0.00000
     12      15.4905      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0089      2.00000
      2       1.0916      2.00000
      3       2.1384      2.00000
      4       3.2182      2.00000
      5       3.5679      2.00000
      6       4.7752      2.00000
      7       5.6007      1.99718
      8       8.2500      0.00000
      9      13.9393      0.00000
     10      14.7608      0.00000
     11      15.1649      0.00000
     12      15.7496      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4766      2.00000
      2       1.3365      2.00000
      3       1.5075      2.00000
      4       2.9335      2.00000
      5       3.9108      2.00000
      6       4.7492      2.00000
      7       4.9843      1.99999
      8       7.9841      0.00000
      9      14.3857      0.00000
     10      15.0553      0.00000
     11      15.2614      0.00000
     12      16.3982      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8352      2.00000
      2       0.3239      2.00000
      3       1.3422      2.00000
      4       3.0667      2.00000
      5       7.1352      0.00031
      6       8.2035      0.00000
      7       8.8523      0.00000
      8       9.2188      0.00000
      9       9.9535      0.00000
     10      10.6221      0.00000
     11      10.9036      0.00000
     12      13.4380      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7831      2.00000
      2       0.3733      2.00000
      3       1.3929      2.00000
      4       3.0883      2.00000
      5       6.4780      0.19777
      6       7.6027      0.00000
      7       8.5623      0.00000
      8       9.5873      0.00000
      9      10.1463      0.00000
     10      10.8007      0.00000
     11      11.6543      0.00000
     12      13.8551      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6270      2.00000
      2       0.5206      2.00000
      3       1.5443      2.00000
      4       3.1487      2.00000
      5       5.4321      1.99948
      6       6.6123      0.05573
      7       7.5347      0.00001
      8       9.4971      0.00000
      9      10.9449      0.00000
     10      12.0027      0.00000
     11      12.9312      0.00000
     12      14.5541      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3681      2.00000
      2       0.7627      2.00000
      3       1.7944      2.00000
      4       3.2299      2.00000
      5       4.4151      2.00000
      6       5.6416      1.99576
      7       6.5276      0.12529
      8       8.8322      0.00000
      9      12.4056      0.00000
     10      13.3802      0.00000
     11      14.3343      0.00000
     12      14.8113      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0094      2.00000
      2       1.0914      2.00000
      3       2.1377      2.00000
      4       3.2182      2.00000
      5       3.5685      2.00000
      6       4.7759      2.00000
      7       5.6015      1.99716
      8       8.2504      0.00000
      9      13.9468      0.00000
     10      14.7641      0.00000
     11      15.1582      0.00000
     12      15.7548      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4403      2.00000
      2       1.4821      2.00000
      3       2.5198      2.00000
      4       2.5980      2.00000
      5       3.3740      2.00000
      6       4.1247      2.00000
      7       4.7854      2.00000
      8       7.8191      0.00000
      9      15.4033      0.00000
     10      15.6135      0.00000
     11      15.9935      0.00000
     12      16.8483      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9277      2.00000
      2       1.7949      2.00000
      3       1.9314      2.00000
      4       2.9404      2.00000
      5       3.1606      2.00000
      6       3.8917      2.00000
      7       4.1591      2.00000
      8       7.5870      0.00000
      9      15.9357      0.00000
     10      16.4686      0.00000
     11      16.7113      0.00000
     12      16.8148      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000  -0.000  -0.000
  5.264  22.370  -0.000  -0.000  -0.000
 -0.000  -0.000  -0.285  -0.000   0.000
 -0.000  -0.000  -0.000  -0.285  -0.000
 -0.000  -0.000   0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.075  -0.022   0.007   0.000   0.000
 -0.022   0.000  -0.000   0.000   0.000
  0.007  -0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1718: real time    0.1718
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3420: real time    0.3420
    STRESS:  cpu time    4.1149: real time    4.1170
    FORCOR:  cpu time    0.0459: real time    0.0459
    FORHAR:  cpu time    0.0123: real time    0.0123
    MIXING:  cpu time    0.0043: real time    0.0043
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.34857   -72.37789   -72.31618     0.00000    -0.00000    -0.00000
  Hartree     1.13738     1.12708     1.13644    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42294   -27.42266   -27.42408     0.00000     0.00000     0.00000
  Local      -4.00589    -3.96098    -4.04336    -0.00000    -0.00000     0.00000
  n-local    58.91484    58.91322    58.92954     0.25614     0.02310     0.18976
  augment    -3.03543    -3.03504    -3.03611    -0.00000     0.00000    -0.00000
  Kinetic    46.89407    46.88738    46.88410    -3.62003    -0.57636    -2.94400
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.02023     0.01788     0.01713     0.00000     0.00000     0.00000
  in kB       0.49663     0.43878     0.42042     0.00000     0.00000     0.00000
  external pressure =        0.45 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.846E-15 0.298E+00 0.379E-16   0.115E-15 -.282E+00 0.217E-16   -.277E-19 -.845E-01 0.822E-22   0.182E-05 0.228E-04 -.182E-17
   -.514E-14 -.101E+01 -.646E-07   0.160E-14 0.683E+00 -.386E-15   0.219E-19 0.523E+00 0.487E-19   -.133E-04 -.555E-03 -.434E-16
   -.470E-14 0.104E+01 -.108E-12   0.706E-16 -.845E+00 0.364E-15   -.395E-18 -.312E+00 -.255E-21   -.144E-04 0.301E-03 -.370E-16
   -.256E-14 -.403E+00 -.449E-14   -.193E-14 0.444E+00 -.174E-15   -.117E-18 -.594E-01 -.215E-19   0.140E-04 0.452E-03 0.610E-16
 -----------------------------------------------------------------------------------------------
   -.132E-13 -.674E-01 -.646E-07   -.140E-15 0.555E-16 -.175E-15   -.518E-18 0.672E-01 0.270E-19   -.119E-04 0.220E-03 -.213E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.068347      0.000000
      2.01274      1.96342      0.00000         0.000000      0.198208     -0.000000
      2.01274      0.00000      2.01342        -0.000000     -0.112675      0.000000
      0.00000      2.01342      2.01342        -0.000000     -0.017186      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000012      0.000054     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54875039 eV

  energy  without entropy=      -13.50870149  energy(sigma->0) =      -13.52872594
 
 d Force =-0.1120479E-04[-0.198E-01, 0.198E-01]  d Energy =-0.6536112E-07-0.111E-04
 d Force =-0.9020562E-16[-0.683E-01, 0.683E-01]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0520: real time    0.0520


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:  10/ 13
  Displacement:        2/  2
  Total:              20/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.461538  0.000000 -0.153846      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.153846  0.000000 -0.307692      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.230769  0.000000 -0.307692      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.307692  0.000000 -0.307692      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.384615  0.000000 -0.307692      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.384615  0.000000 -0.384615      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.153846  0.000000 -0.461538      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.230769  0.000000 -0.461538      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.307692  0.000000 -0.461538      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.384615  0.000000 -0.461538      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.000000  0.076923 -0.153846      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.076923  0.076923 -0.153846      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.153846  0.076923 -0.153846      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.230769  0.076923 -0.153846      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.307692  0.076923 -0.153846      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.384615  0.076923 -0.153846      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.461538  0.076923 -0.153846      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.000000  0.076923 -0.230769      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.076923  0.076923 -0.230769      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.153846  0.076923 -0.230769      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.230769  0.076923 -0.230769      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.307692  0.076923 -0.230769      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.384615  0.076923 -0.230769      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.461538  0.076923 -0.230769      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.000000  0.076923 -0.307692      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.076923  0.076923 -0.307692      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.153846  0.076923 -0.307692      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.230769  0.076923 -0.307692      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.307692  0.076923 -0.307692      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.384615  0.076923 -0.307692      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.461538  0.076923 -0.307692      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.000000  0.076923 -0.384615      4.000000
  0.076923  0.384615  0.076923      8.000000
  0.076923  0.076923 -0.384615      8.000000
  0.153846  0.384615  0.076923      8.000000
  0.153846  0.076923 -0.384615      8.000000
  0.230769  0.384615  0.076923      8.000000
  0.230769  0.076923 -0.384615      8.000000
  0.307692  0.384615  0.076923      8.000000
  0.307692  0.076923 -0.384615      8.000000
  0.384615  0.384615  0.076923      8.000000
  0.384615  0.076923 -0.384615      8.000000
  0.461538  0.384615  0.076923      8.000000
  0.461538  0.076923 -0.384615      8.000000
  0.000000  0.461538  0.076923      4.000000
  0.000000  0.076923 -0.461538      4.000000
  0.076923  0.461538  0.076923      8.000000
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  0.153846  0.461538  0.076923      8.000000
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  0.230769  0.461538  0.076923      8.000000
  0.230769  0.076923 -0.461538      8.000000
  0.307692  0.461538  0.076923      8.000000
  0.307692  0.076923 -0.461538      8.000000
  0.384615  0.461538  0.076923      8.000000
  0.384615  0.076923 -0.461538      8.000000
  0.461538  0.461538  0.076923      8.000000
  0.461538  0.076923 -0.461538      8.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      4.000000
  0.000000  0.153846 -0.230769      4.000000
  0.076923  0.230769  0.153846      8.000000
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  0.230769  0.153846 -0.230769      8.000000
  0.307692  0.230769  0.153846      8.000000
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  0.384615  0.230769  0.153846      8.000000
  0.384615  0.153846 -0.230769      8.000000
  0.461538  0.230769  0.153846      8.000000
  0.461538  0.153846 -0.230769      8.000000
  0.000000  0.307692  0.153846      4.000000
  0.000000  0.153846 -0.307692      4.000000
  0.076923  0.307692  0.153846      8.000000
  0.076923  0.153846 -0.307692      8.000000
  0.153846  0.307692  0.153846      8.000000
  0.153846  0.153846 -0.307692      8.000000
  0.230769  0.307692  0.153846      8.000000
  0.230769  0.153846 -0.307692      8.000000
  0.307692  0.307692  0.153846      8.000000
  0.307692  0.153846 -0.307692      8.000000
  0.384615  0.307692  0.153846      8.000000
  0.384615  0.153846 -0.307692      8.000000
  0.461538  0.307692  0.153846      8.000000
  0.461538  0.153846 -0.307692      8.000000
  0.000000  0.384615  0.153846      4.000000
  0.000000  0.153846 -0.384615      4.000000
  0.076923  0.384615  0.153846      8.000000
  0.076923  0.153846 -0.384615      8.000000
  0.153846  0.384615  0.153846      8.000000
  0.153846  0.153846 -0.384615      8.000000
  0.230769  0.384615  0.153846      8.000000
  0.230769  0.153846 -0.384615      8.000000
  0.307692  0.384615  0.153846      8.000000
  0.307692  0.153846 -0.384615      8.000000
  0.384615  0.384615  0.153846      8.000000
  0.384615  0.153846 -0.384615      8.000000
  0.461538  0.384615  0.153846      8.000000
  0.461538  0.153846 -0.384615      8.000000
  0.000000  0.461538  0.153846      4.000000
  0.000000  0.153846 -0.461538      4.000000
  0.076923  0.461538  0.153846      8.000000
  0.076923  0.153846 -0.461538      8.000000
  0.153846  0.461538  0.153846      8.000000
  0.153846  0.153846 -0.461538      8.000000
  0.230769  0.461538  0.153846      8.000000
  0.230769  0.153846 -0.461538      8.000000
  0.307692  0.461538  0.153846      8.000000
  0.307692  0.153846 -0.461538      8.000000
  0.384615  0.461538  0.153846      8.000000
  0.384615  0.153846 -0.461538      8.000000
  0.461538  0.461538  0.153846      8.000000
  0.461538  0.153846 -0.461538      8.000000
  0.000000  0.230769  0.230769      4.000000
  0.076923  0.230769  0.230769      8.000000
  0.153846  0.230769  0.230769      8.000000
  0.230769  0.230769  0.230769      8.000000
  0.307692  0.230769  0.230769      8.000000
  0.384615  0.230769  0.230769      8.000000
  0.461538  0.230769  0.230769      8.000000
  0.000000  0.307692  0.230769      4.000000
  0.000000  0.230769 -0.307692      4.000000
  0.076923  0.307692  0.230769      8.000000
  0.076923  0.230769 -0.307692      8.000000
  0.153846  0.307692  0.230769      8.000000
  0.153846  0.230769 -0.307692      8.000000
  0.230769  0.307692  0.230769      8.000000
  0.230769  0.230769 -0.307692      8.000000
  0.307692  0.307692  0.230769      8.000000
  0.307692  0.230769 -0.307692      8.000000
  0.384615  0.307692  0.230769      8.000000
  0.384615  0.230769 -0.307692      8.000000
  0.461538  0.307692  0.230769      8.000000
  0.461538  0.230769 -0.307692      8.000000
  0.000000  0.384615  0.230769      4.000000
  0.000000  0.230769 -0.384615      4.000000
  0.076923  0.384615  0.230769      8.000000
  0.076923  0.230769 -0.384615      8.000000
  0.153846  0.384615  0.230769      8.000000
  0.153846  0.230769 -0.384615      8.000000
  0.230769  0.384615  0.230769      8.000000
  0.230769  0.230769 -0.384615      8.000000
  0.307692  0.384615  0.230769      8.000000
  0.307692  0.230769 -0.384615      8.000000
  0.384615  0.384615  0.230769      8.000000
  0.384615  0.230769 -0.384615      8.000000
  0.461538  0.384615  0.230769      8.000000
  0.461538  0.230769 -0.384615      8.000000
  0.000000  0.461538  0.230769      4.000000
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  0.095545  0.076411 -0.095513      8.000000
  0.114654  0.095513  0.076411      8.000000
  0.114654  0.076411 -0.095513      8.000000
  0.000000  0.114616  0.076411      4.000000
  0.000000  0.076411 -0.114616      4.000000
  0.019109  0.114616  0.076411      8.000000
  0.019109  0.076411 -0.114616      8.000000
  0.038218  0.114616  0.076411      8.000000
  0.038218  0.076411 -0.114616      8.000000
  0.057327  0.114616  0.076411      8.000000
  0.057327  0.076411 -0.114616      8.000000
  0.076436  0.114616  0.076411      8.000000
  0.076436  0.076411 -0.114616      8.000000
  0.095545  0.114616  0.076411      8.000000
  0.095545  0.076411 -0.114616      8.000000
  0.114654  0.114616  0.076411      8.000000
  0.114654  0.076411 -0.114616      8.000000
  0.000000  0.095513  0.095513      4.000000
  0.019109  0.095513  0.095513      8.000000
  0.038218  0.095513  0.095513      8.000000
  0.057327  0.095513  0.095513      8.000000
  0.076436  0.095513  0.095513      8.000000
  0.095545  0.095513  0.095513      8.000000
  0.114654  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      4.000000
  0.000000  0.095513 -0.114616      4.000000
  0.019109  0.114616  0.095513      8.000000
  0.019109  0.095513 -0.114616      8.000000
  0.038218  0.114616  0.095513      8.000000
  0.038218  0.095513 -0.114616      8.000000
  0.057327  0.114616  0.095513      8.000000
  0.057327  0.095513 -0.114616      8.000000
  0.076436  0.114616  0.095513      8.000000
  0.076436  0.095513 -0.114616      8.000000
  0.095545  0.114616  0.095513      8.000000
  0.095545  0.095513 -0.114616      8.000000
  0.114654  0.114616  0.095513      8.000000
  0.114654  0.095513 -0.114616      8.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.114616      8.000000
  0.038218  0.114616  0.114616      8.000000
  0.057327  0.114616  0.114616      8.000000
  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.7966: real time    0.8278
    FEWALD:  cpu time    0.0021: real time    0.0021
    GENKIN:  cpu time    0.0693: real time    0.0693
    ORTHCH:  cpu time    2.0317: real time    2.0318
     LOOP+:  cpu time  127.9839: real time  128.0768


--------------------------------------- Iteration     22(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0463: real time    0.0470
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   21.8877: real time   21.8950
       DOS:  cpu time    0.0180: real time    0.0180
    CHARGE:  cpu time    0.1738: real time    0.1769
    MIXING:  cpu time    0.0040: real time    0.0040
    --------------------------------------------
      LOOP:  cpu time   22.1333: real time   22.1444

 eigenvalue-minimisations  :  8568
 total energy-change (2. order) : 0.1006246E-02  (-0.6450423E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060265 magnetization 

 Broyden mixing:
  rms(total) = 0.17505E-01    rms(broyden)= 0.17504E-01
  rms(prec ) = 0.48297E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.40830031
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80121242
  PAW double counting   =       428.72724999     -327.38024630
  entropy T*S    EENTRO =        -0.04001850
  eigenvalues    EBANDS =        22.57358379
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54773731 eV

  energy without entropy =      -13.50771881  energy(sigma->0) =      -13.52772806


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0512: real time    0.0516
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   23.8348: real time   23.8433
       DOS:  cpu time    0.0167: real time    0.0167
    CHARGE:  cpu time    0.1745: real time    0.1745
    MIXING:  cpu time    0.0052: real time    0.0052
    --------------------------------------------
      LOOP:  cpu time   24.0863: real time   24.0951

 eigenvalue-minimisations  : 10232
 total energy-change (2. order) :-0.7043084E-03  (-0.2058833E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060362 magnetization 

 Broyden mixing:
  rms(total) = 0.96054E-02    rms(broyden)= 0.96054E-02
  rms(prec ) = 0.25210E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8334
  0.8334

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41312074
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80090412
  PAW double counting   =       429.66728039     -328.32035984
  entropy T*S    EENTRO =        -0.04002819
  eigenvalues    EBANDS =        22.57748442
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54844162 eV

  energy without entropy =      -13.50841344  energy(sigma->0) =      -13.52842753


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0489: real time    0.0491
    SETDIJ:  cpu time    0.0042: real time    0.0042
     EDDAV:  cpu time   24.2295: real time   24.2419
       DOS:  cpu time    0.0164: real time    0.0164
    CHARGE:  cpu time    0.1736: real time    0.1736
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   24.4770: real time   24.4896

 eigenvalue-minimisations  :  9984
 total energy-change (2. order) : 0.4194161E-03  (-0.1337819E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060272 magnetization 

 Broyden mixing:
  rms(total) = 0.45672E-02    rms(broyden)= 0.45672E-02
  rms(prec ) = 0.95487E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6039
  1.1194  2.0884

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41679911
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80065587
  PAW double counting   =       429.00216372     -327.65533328
  entropy T*S    EENTRO =        -0.04003571
  eigenvalues    EBANDS =        22.58143161
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54802221 eV

  energy without entropy =      -13.50798649  energy(sigma->0) =      -13.52800435


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0489: real time    0.0492
    SETDIJ:  cpu time    0.0041: real time    0.0041
     EDDAV:  cpu time   24.6766: real time   24.6833
       DOS:  cpu time    0.0162: real time    0.0162
    CHARGE:  cpu time    0.1721: real time    0.1721
    MIXING:  cpu time    0.0047: real time    0.0047
    --------------------------------------------
      LOOP:  cpu time   24.9226: real time   24.9296

 eigenvalue-minimisations  : 10208
 total energy-change (2. order) : 0.7820609E-04  (-0.2135146E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060164 magnetization 

 Broyden mixing:
  rms(total) = 0.19904E-02    rms(broyden)= 0.19904E-02
  rms(prec ) = 0.47837E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7949
  1.0391  1.5733  2.7722

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41705179
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80064018
  PAW double counting   =       428.84888591     -327.50205603
  entropy T*S    EENTRO =        -0.04003623
  eigenvalues    EBANDS =        22.58174789
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54794400 eV

  energy without entropy =      -13.50790777  energy(sigma->0) =      -13.52792589


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0500: real time    0.0512
    SETDIJ:  cpu time    0.0028: real time    0.0028
     EDDAV:  cpu time   24.0471: real time   24.0595
       DOS:  cpu time    0.0164: real time    0.0164
    CHARGE:  cpu time    0.1746: real time    0.1746
    MIXING:  cpu time    0.0046: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time   24.2956: real time   24.3091

 eigenvalue-minimisations  :  9624
 total energy-change (2. order) : 0.4174970E-04  (-0.1368940E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060149 magnetization 

 Broyden mixing:
  rms(total) = 0.49709E-03    rms(broyden)= 0.49709E-03
  rms(prec ) = 0.87860E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6276
  2.8019  0.9552  1.4155  1.3379

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41702798
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80063542
  PAW double counting   =       428.96002344     -327.61319082
  entropy T*S    EENTRO =        -0.04003616
  eigenvalues    EBANDS =        22.58175824
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54790225 eV

  energy without entropy =      -13.50786609  energy(sigma->0) =      -13.52788417


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0490: real time    0.0493
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   25.5231: real time   25.5353
       DOS:  cpu time    0.0181: real time    0.0181
    --------------------------------------------
      LOOP:  cpu time   25.5936: real time   25.6061

 eigenvalue-minimisations  : 10272
 total energy-change (2. order) :-0.3866878E-06  (-0.1263625E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060149 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41699378
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80063524
  PAW double counting   =       429.00817849     -327.66134487
  entropy T*S    EENTRO =        -0.04003610
  eigenvalues    EBANDS =        22.58172242
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54790264 eV

  energy without entropy =      -13.50786654  energy(sigma->0) =      -13.52788459


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2477       2 -74.2384       3 -74.2396       4 -74.2392
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5662     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6260      2.00000
      2       4.3261      2.00000
      3       4.3305      2.00000
      4       4.3309      2.00000
      5       5.5486      1.99833
      6       5.5531      1.99825
      7       7.5963      0.00000
      8      12.5009      0.00000
      9      12.5021      0.00000
     10      12.5098      0.00000
     11      12.8104      0.00000
     12      12.8182      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5767      2.00000
      2       3.6431      2.00000
      3       4.3751      2.00000
      4       4.3797      2.00000
      5       5.6016      1.99716
      6       6.1560      1.46611
      7       7.7974      0.00000
      8      11.5729      0.00000
      9      11.5752      0.00000
     10      12.1733      0.00000
     11      12.8599      0.00000
     12      12.9866      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4295      2.00000
      2       2.6142      2.00000
      3       4.5219      2.00000
      4       4.5266      2.00000
      5       5.7600      1.98622
      6       6.7571      0.01338
      7       8.5717      0.00000
      8      10.4559      0.00000
      9      10.4600      0.00000
     10      11.4079      0.00000
     11      12.8105      0.00000
     12      13.0036      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1877      2.00000
      2       1.6205      2.00000
      3       4.7652      2.00000
      4       4.7699      2.00000
      5       6.0228      1.82465
      6       7.0399      0.00080
      7       9.4195      0.00000
      8       9.4243      0.00000
      9       9.8438      0.00000
     10      10.5270      0.00000
     11      12.3276      0.00000
     12      13.2370      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8595      2.00000
      2       0.7161      2.00000
      3       5.1013      1.99998
      4       5.1061      1.99998
      5       6.3883      0.42409
      6       7.2139      0.00014
      7       8.4846      0.00000
      8       8.4900      0.00000
      9       9.6538      0.00000
     10      11.2350      0.00000
     11      12.0099      0.00000
     12      13.5461      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4698      2.00000
      2      -0.0616      2.00000
      3       5.5178      1.99877
      4       5.5228      1.99871
      5       6.8526      0.00517
      6       7.3376      0.00004
      7       7.6677      0.00000
      8       7.6763      0.00000
      9       8.8361      0.00000
     10      11.4243      0.00000
     11      13.1366      0.00000
     12      13.8931      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1184      2.00000
      2      -0.6078      2.00000
      3       5.9430      1.91710
      4       5.9487      1.91242
      5       7.0377      0.00081
      6       7.0421      0.00078
      7       7.4125      0.00002
      8       7.4147      0.00002
      9       8.1026      0.00000
     10      11.2706      0.00000
     11      14.1690      0.00000
     12      14.5255      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5767      2.00000
      2       3.6388      2.00000
      3       4.3797      2.00000
      4       4.3799      2.00000
      5       5.6053      1.99705
      6       6.1532      1.47701
      7       7.7959      0.00000
      8      11.5711      0.00000
      9      11.5729      0.00000
     10      12.1724      0.00000
     11      12.8637      0.00000
     12      12.9910      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5634      2.00000
      3       3.8373      2.00000
      4       4.4292      2.00000
      5       5.9318      1.92553
      6       6.5056      0.15384
      7       7.9495      0.00000
      8      10.8364      0.00000
      9      11.4718      0.00000
     10      11.8641      0.00000
     11      12.3629      0.00000
     12      12.8468      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3801      2.00000
      2       2.6467      2.00000
      3       3.8786      2.00000
      4       4.5760      2.00000
      5       6.1423      1.51807
      6       7.1312      0.00032
      7       8.6206      0.00000
      8       9.8277      0.00000
      9      10.5013      0.00000
     10      11.7796      0.00000
     11      11.8587      0.00000
     12      12.8758      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1380      2.00000
      2       1.6617      2.00000
      3       4.1131      2.00000
      4       4.8193      2.00000
      5       6.3861      0.43146
      6       7.4330      0.00002
      7       8.8226      0.00000
      8       9.4715      0.00000
      9       9.9042      0.00000
     10      10.9716      0.00000
     11      12.0679      0.00000
     12      12.5043      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8094      2.00000
      2       0.7596      2.00000
      3       4.4423      2.00000
      4       5.1556      1.99997
      5       6.6745      0.03032
      6       7.5826      0.00000
      7       8.0323      0.00000
      8       8.5384      0.00000
      9      10.1184      0.00000
     10      11.3466      0.00000
     11      12.1128      0.00000
     12      12.3862      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8467      2.00000
      4       5.5722      1.99788
      5       6.7479      0.01467
      6       7.4424      0.00001
      7       7.7232      0.00000
      8       7.8852      0.00000
      9       9.3432      0.00000
     10      11.6153      0.00000
     11      12.7666      0.00000
     12      13.0906      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5651      2.00000
      3       5.2475      1.99992
      4       5.9981      1.86040
      5       6.3345      0.63110
      6       7.0916      0.00047
      7       7.6115      0.00000
      8       8.1165      0.00000
      9       8.6729      0.00000
     10      11.4421      0.00000
     11      13.1125      0.00000
     12      14.1370      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4297      2.00000
      2       2.6105      2.00000
      3       4.5264      2.00000
      4       4.5266      2.00000
      5       5.7636      1.98572
      6       6.7573      0.01336
      7       8.5663      0.00000
      8      10.4563      0.00000
      9      10.4566      0.00000
     10      11.4075      0.00000
     11      12.8102      0.00000
     12      13.0073      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3802      2.00000
      2       2.6432      2.00000
      3       3.8827      2.00000
      4       4.5759      2.00000
      5       6.1439      1.51235
      6       7.1333      0.00031
      7       8.6158      0.00000
      8       9.8281      0.00000
      9      10.4977      0.00000
     10      11.7793      0.00000
     11      11.8618      0.00000
     12      12.8798      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2326      2.00000
      2       2.5811      2.00000
      3       3.0699      2.00000
      4       4.7226      2.00000
      5       6.4051      0.37081
      6       8.0478      0.00000
      7       8.6529      0.00000
      8       9.1551      0.00000
      9      10.4947      0.00000
     10      10.8503      0.00000
     11      11.8478      0.00000
     12      12.6306      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9898      2.00000
      2       1.7715      2.00000
      3       3.1245      2.00000
      4       4.9658      2.00000
      5       6.5633      0.08937
      6       7.9153      0.00000
      7       8.5927      0.00000
      8       9.6081      0.00000
      9      10.0312      0.00000
     10      10.9299      0.00000
     11      11.3362      0.00000
     12      12.6348      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6598      2.00000
      2       0.8866      2.00000
      3       3.4277      2.00000
      4       5.3019      1.99986
      5       6.4547      0.24331
      6       7.4634      0.00001
      7       8.6815      0.00000
      8       8.8172      0.00000
      9      10.6498      0.00000
     10      11.2475      0.00000
     11      11.4988      0.00000
     12      12.5250      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1119      2.00000
      3       3.8121      2.00000
      4       5.7182      1.99091
      5       5.9124      1.93827
      6       7.5697      0.00000
      7       7.8709      0.00000
      8       8.9537      0.00000
      9      10.1164      0.00000
     10      11.6320      0.00000
     11      12.2063      0.00000
     12      12.8457      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4387      2.00000
      3       4.1811      2.00000
      4       5.4020      1.99961
      5       6.1434      1.51408
      6       7.2384      0.00011
      7       7.7940      0.00000
      8       8.9609      0.00000
      9       9.8231      0.00000
     10      11.9760      0.00000
     11      11.9963      0.00000
     12      13.3872      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1881      2.00000
      2       1.6175      2.00000
      3       4.7696      2.00000
      4       4.7697      2.00000
      5       6.0263      1.81904
      6       7.0413      0.00079
      7       9.4210      0.00000
      8       9.4212      0.00000
      9       9.8361      0.00000
     10      10.5274      0.00000
     11      12.3280      0.00000
     12      13.2404      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1384      2.00000
      2       1.6587      2.00000
      3       4.1171      2.00000
      4       4.8190      2.00000
      5       6.3876      0.42661
      6       7.4368      0.00002
      7       8.8234      0.00000
      8       9.4685      0.00000
      9       9.8968      0.00000
     10      10.9714      0.00000
     11      12.0720      0.00000
     12      12.5063      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9900      2.00000
      2       1.7689      2.00000
      3       3.1277      2.00000
      4       4.9657      2.00000
      5       6.5635      0.08924
      6       7.9165      0.00000
      7       8.5971      0.00000
      8       9.6053      0.00000
      9      10.0245      0.00000
     10      10.9332      0.00000
     11      11.3354      0.00000
     12      12.6378      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7458      2.00000
      2       1.7600      2.00000
      3       2.3745      2.00000
      4       5.2087      1.99994
      5       6.3559      0.54235
      6       7.4589      0.00001
      7       9.7050      0.00000
      8       9.7421      0.00000
      9      10.0266      0.00000
     10      10.3526      0.00000
     11      11.2972      0.00000
     12      12.4431      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4134      2.00000
      2       1.0753      2.00000
      3       2.4661      2.00000
      4       5.5444      1.99840
      5       5.7108      1.99155
      6       7.5367      0.00001
      7       8.9150      0.00000
      8      10.0087      0.00000
      9      10.2109      0.00000
     10      11.0964      0.00000
     11      11.4329      0.00000
     12      12.6244      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0153      2.00000
      2       0.3198      2.00000
      3       2.8107      2.00000
      4       5.0229      1.99999
      5       5.9602      1.90225
      6       7.7996      0.00000
      7       8.1105      0.00000
      8       9.7705      0.00000
      9      10.5930      0.00000
     10      11.1202      0.00000
     11      12.1629      0.00000
     12      12.9225      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6478      2.00000
      2      -0.2345      2.00000
      3       3.1443      2.00000
      4       4.5128      2.00000
      5       6.3845      0.43688
      6       7.4800      0.00001
      7       8.0541      0.00000
      8       9.4684      0.00000
      9      10.9497      0.00000
     10      11.2559      0.00000
     11      12.3582      0.00000
     12      12.4818      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8602      2.00000
      2       0.7137      2.00000
      3       5.1055      1.99998
      4       5.1056      1.99998
      5       6.3915      0.41348
      6       7.2155      0.00014
      7       8.4867      0.00000
      8       8.4876      0.00000
      9       9.6548      0.00000
     10      11.2276      0.00000
     11      12.0092      0.00000
     12      13.5492      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8100      2.00000
      2       0.7573      2.00000
      3       4.4461      2.00000
      4       5.1550      1.99997
      5       6.6753      0.03006
      6       7.5872      0.00000
      7       8.0334      0.00000
      8       8.5360      0.00000
      9      10.1191      0.00000
     10      11.3388      0.00000
     11      12.1140      0.00000
     12      12.3901      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6603      2.00000
      2       0.8844      2.00000
      3       3.4308      2.00000
      4       5.3014      1.99986
      5       6.4554      0.24186
      6       7.4639      0.00001
      7       8.6793      0.00000
      8       8.8223      0.00000
      9      10.6495      0.00000
     10      11.2506      0.00000
     11      11.4916      0.00000
     12      12.5287      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4137      2.00000
      2       1.0735      2.00000
      3       2.4683      2.00000
      4       5.5441      1.99840
      5       5.7113      1.99150
      6       7.5365      0.00001
      7       8.9130      0.00000
      8      10.0125      0.00000
      9      10.2133      0.00000
     10      11.0986      0.00000
     11      11.4281      0.00000
     12      12.6231      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0768      2.00000
      2       1.1346      2.00000
      3       1.7972      2.00000
      4       4.9114      2.00000
      5       5.8794      1.95521
      6       7.7930      0.00000
      7       9.1206      0.00000
      8       9.3998      0.00000
      9      10.4716      0.00000
     10      11.3183      0.00000
     11      11.9572      0.00000
     12      12.7261      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6705      2.00000
      2       0.5797      2.00000
      3       1.9128      2.00000
      4       4.2055      2.00000
      5       6.2947      0.81398
      6       8.1144      0.00000
      7       8.4346      0.00000
      8       9.6690      0.00000
      9      10.1334      0.00000
     10      11.5138      0.00000
     11      11.9891      0.00000
     12      12.4935      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0328      2.00000
      3       2.1898      2.00000
      4       3.7176      2.00000
      5       6.7186      0.01960
      6       7.8092      0.00000
      7       8.4061      0.00000
      8       9.7678      0.00000
      9      10.0320      0.00000
     10      11.4173      0.00000
     11      11.6686      0.00000
     12      12.7858      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4708      2.00000
      2      -0.0634      2.00000
      3       5.5216      1.99872
      4       5.5219      1.99872
      5       6.8555      0.00503
      6       7.3391      0.00004
      7       7.6705      0.00000
      8       7.6745      0.00000
      9       8.8377      0.00000
     10      11.4249      0.00000
     11      13.1271      0.00000
     12      13.8957      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4198      2.00000
      2      -0.0195      2.00000
      3       4.8502      2.00000
      4       5.5713      1.99790
      5       6.7493      0.01446
      6       7.4439      0.00001
      7       7.7215      0.00000
      8       7.8887      0.00000
      9       9.3452      0.00000
     10      11.6168      0.00000
     11      12.7700      0.00000
     12      13.0824      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2675      2.00000
      2       0.1103      2.00000
      3       3.8150      2.00000
      4       5.7174      1.99098
      5       5.9140      1.93729
      6       7.5692      0.00000
      7       7.8692      0.00000
      8       8.9576      0.00000
      9      10.1190      0.00000
     10      11.6347      0.00000
     11      12.2102      0.00000
     12      12.8421      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0160      2.00000
      2       0.3184      2.00000
      3       2.8128      2.00000
      4       5.0240      1.99999
      5       5.9596      1.90283
      6       7.7989      0.00000
      7       8.1090      0.00000
      8       9.7717      0.00000
      9      10.5951      0.00000
     10      11.1258      0.00000
     11      12.1641      0.00000
     12      12.9239      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6709      2.00000
      2       0.5787      2.00000
      3       1.9142      2.00000
      4       4.2060      2.00000
      5       6.2943      0.81575
      6       8.1139      0.00000
      7       8.4334      0.00000
      8       9.6704      0.00000
      9      10.1334      0.00000
     10      11.5148      0.00000
     11      11.9898      0.00000
     12      12.5005      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2494      2.00000
      2       0.7143      2.00000
      3       1.2940      2.00000
      4       3.5172      2.00000
      5       6.7095      0.02146
      6       8.4872      0.00000
      7       8.7277      0.00000
      8       8.9616      0.00000
      9      10.1856      0.00000
     10      11.0327      0.00000
     11      11.1926      0.00000
     12      13.5235      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8348      2.00000
      2       0.3247      2.00000
      3       1.3416      2.00000
      4       3.0662      2.00000
      5       7.1354      0.00031
      6       8.2024      0.00000
      7       8.8375      0.00000
      8       9.2271      0.00000
      9       9.9483      0.00000
     10      10.6148      0.00000
     11      10.8975      0.00000
     12      13.4440      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1200      2.00000
      2      -0.6089      2.00000
      3       5.9463      1.91439
      4       5.9472      1.91364
      5       7.0365      0.00082
      6       7.0455      0.00075
      7       7.4143      0.00002
      8       7.4167      0.00002
      9       8.1046      0.00000
     10      11.2720      0.00000
     11      14.1711      0.00000
     12      14.5279      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0674      2.00000
      2      -0.5662      2.00000
      3       5.2505      1.99991
      4       5.9967      1.86225
      5       6.3373      0.61918
      6       7.0905      0.00048
      7       7.6103      0.00000
      8       8.1204      0.00000
      9       8.6766      0.00000
     10      11.4441      0.00000
     11      13.1153      0.00000
     12      14.1391      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9100      2.00000
      2      -0.4397      2.00000
      3       4.1835      2.00000
      4       5.4042      1.99960
      5       6.1421      1.51896
      6       7.2374      0.00011
      7       7.7926      0.00000
      8       8.9629      0.00000
      9       9.8287      0.00000
     10      11.9792      0.00000
     11      11.9991      0.00000
     12      13.3876      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6490      2.00000
      2      -0.2353      2.00000
      3       3.1461      2.00000
      4       4.5144      2.00000
      5       6.3834      0.44084
      6       7.4792      0.00001
      7       8.0529      0.00000
      8       9.4692      0.00000
      9      10.9513      0.00000
     10      11.2626      0.00000
     11      12.3603      0.00000
     12      12.4840      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2875      2.00000
      2       0.0323      2.00000
      3       2.1909      2.00000
      4       3.7186      2.00000
      5       6.7177      0.01978
      6       7.8087      0.00000
      7       8.4051      0.00000
      8       9.7682      0.00000
      9      10.0329      0.00000
     10      11.4187      0.00000
     11      11.6696      0.00000
     12      12.7933      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8354      2.00000
      2       0.3245      2.00000
      3       1.3421      2.00000
      4       3.0667      2.00000
      5       7.1349      0.00031
      6       8.2023      0.00000
      7       8.8370      0.00000
      8       9.2274      0.00000
      9       9.9485      0.00000
     10      10.6155      0.00000
     11      10.8979      0.00000
     12      13.4448      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3501      2.00000
      2       0.5033      2.00000
      3       0.7046      2.00000
      4       2.6600      2.00000
      5       7.5729      0.00000
      6       8.5313      0.00000
      7       8.6093      0.00000
      8       9.3222      0.00000
      9      10.0090      0.00000
     10      10.0501      0.00000
     11      10.2850      0.00000
     12      13.3392      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5627      2.00000
      3       3.8376      2.00000
      4       4.4289      2.00000
      5       5.9367      1.92195
      6       6.5028      0.15786
      7       7.9477      0.00000
      8      10.8363      0.00000
      9      11.4720      0.00000
     10      11.8637      0.00000
     11      12.3605      0.00000
     12      12.8500      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4780      2.00000
      2       3.6130      2.00000
      3       3.6159      2.00000
      4       4.0632      2.00000
      5       6.5530      0.09858
      6       6.5575      0.09445
      7       8.0733      0.00000
      8      10.7458      0.00000
      9      10.7481      0.00000
     10      11.3263      0.00000
     11      12.6498      0.00000
     12      13.3236      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3307      2.00000
      2       2.6826      2.00000
      3       3.7653      2.00000
      4       4.1224      2.00000
      5       6.7028      0.02291
      6       7.2970      0.00006
      7       8.6647      0.00000
      8       9.7005      0.00000
      9      10.0536      0.00000
     10      11.1927      0.00000
     11      12.2602      0.00000
     12      13.2339      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0884      2.00000
      2       1.7036      2.00000
      3       4.0175      2.00000
      4       4.3357      2.00000
      5       6.9451      0.00205
      6       7.5908      0.00000
      7       8.6986      0.00000
      8       9.0959      0.00000
      9       9.9727      0.00000
     10      11.3615      0.00000
     11      11.4414      0.00000
     12      12.7734      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7593      2.00000
      2       0.8035      2.00000
      3       4.3678      2.00000
      4       4.6335      2.00000
      5       7.2151      0.00014
      6       7.6000      0.00000
      7       7.8487      0.00000
      8       8.4794      0.00000
      9      10.5647      0.00000
     10      11.3391      0.00000
     11      11.6521      0.00000
     12      12.4203      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3679      2.00000
      2       0.0263      2.00000
      3       4.8088      2.00000
      4       4.9844      1.99999
      5       6.8219      0.00702
      6       7.2116      0.00014
      7       7.8642      0.00000
      8       8.2984      0.00000
      9       9.7565      0.00000
     10      11.6910      0.00000
     11      12.0894      0.00000
     12      13.2359      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0134      2.00000
      2      -0.5223      2.00000
      3       5.2776      1.99989
      4       5.3083      1.99985
      5       6.1688      1.41465
      6       6.7895      0.00970
      7       8.3153      0.00000
      8       8.3819      0.00000
      9       9.0280      0.00000
     10      11.5668      0.00000
     11      12.3720      0.00000
     12      13.8824      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3803      2.00000
      2       2.6431      2.00000
      3       3.8823      2.00000
      4       4.5755      2.00000
      5       6.1489      1.49353
      6       7.1290      0.00033
      7       8.6152      0.00000
      8       9.8288      0.00000
      9      10.4972      0.00000
     10      11.7947      0.00000
     11      11.8453      0.00000
     12      12.8849      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3308      2.00000
      2       2.6790      2.00000
      3       3.7676      2.00000
      4       4.1242      2.00000
      5       6.7065      0.02211
      6       7.2967      0.00006
      7       8.6601      0.00000
      8       9.6991      0.00000
      9      10.0527      0.00000
     10      11.1962      0.00000
     11      12.2599      0.00000
     12      13.2334      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1830      2.00000
      2       2.6325      2.00000
      3       3.0687      2.00000
      4       4.1461      2.00000
      5       7.0858      0.00050
      6       8.0886      0.00000
      7       8.7021      0.00000
      8       9.0957      0.00000
      9       9.8195      0.00000
     10      10.4957      0.00000
     11      12.4849      0.00000
     12      13.1078      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9401      2.00000
      2       1.8163      2.00000
      3       3.1469      2.00000
      4       4.3623      2.00000
      5       7.1845      0.00019
      6       8.0209      0.00000
      7       8.4978      0.00000
      8       9.1925      0.00000
      9       9.9019      0.00000
     10      10.6071      0.00000
     11      11.9364      0.00000
     12      13.1309      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6097      2.00000
      2       0.9315      2.00000
      3       3.4586      2.00000
      4       4.6661      2.00000
      5       6.7375      0.01626
      6       7.8538      0.00000
      7       8.0839      0.00000
      8       9.1114      0.00000
      9      10.5312      0.00000
     10      11.1527      0.00000
     11      11.7021      0.00000
     12      12.8221      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2157      2.00000
      2       0.1566      2.00000
      3       3.8507      2.00000
      4       5.0238      1.99999
      5       6.0469      1.78221
      6       7.2994      0.00006
      7       8.2577      0.00000
      8       9.2706      0.00000
      9      10.4496      0.00000
     10      10.9491      0.00000
     11      12.3361      0.00000
     12      13.1520      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8562      2.00000
      2      -0.3953      2.00000
      3       4.2283      2.00000
      4       5.2824      1.99988
      5       5.5675      1.99798
      6       6.8017      0.00858
      7       8.5601      0.00000
      8       9.4173      0.00000
      9       9.9376      0.00000
     10      11.2910      0.00000
     11      11.9789      0.00000
     12      13.0343      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1384      2.00000
      2       1.6587      2.00000
      3       4.1167      2.00000
      4       4.8185      2.00000
      5       6.3931      0.40842
      6       7.4310      0.00002
      7       8.8250      0.00000
      8       9.4679      0.00000
      9       9.8970      0.00000
     10      10.9724      0.00000
     11      12.0697      0.00000
     12      12.5060      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0887      2.00000
      2       1.7006      2.00000
      3       4.0197      2.00000
      4       4.3375      2.00000
      5       6.9484      0.00199
      6       7.5924      0.00000
      7       8.6979      0.00000
      8       9.0944      0.00000
      9       9.9663      0.00000
     10      11.3644      0.00000
     11      11.4424      0.00000
     12      12.7737      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9403      2.00000
      2       1.8136      2.00000
      3       3.1501      2.00000
      4       4.3621      2.00000
      5       7.1847      0.00019
      6       8.0221      0.00000
      7       8.5004      0.00000
      8       9.1911      0.00000
      9       9.8994      0.00000
     10      10.6065      0.00000
     11      11.9353      0.00000
     12      13.1348      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6959      2.00000
      2       1.8119      2.00000
      3       2.4025      2.00000
      4       4.5752      2.00000
      5       6.6585      0.03546
      6       7.9106      0.00000
      7       8.9566      0.00000
      8       9.4227      0.00000
      9       9.9101      0.00000
     10      10.6823      0.00000
     11      11.9765      0.00000
     12      12.8181      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3631      2.00000
      2       1.1227      2.00000
      3       2.5040      2.00000
      4       4.8530      2.00000
      5       5.9054      1.94229
      6       8.0842      0.00000
      7       8.3589      0.00000
      8       9.6058      0.00000
      9      10.3414      0.00000
     10      11.5420      0.00000
     11      11.7859      0.00000
     12      12.8159      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       0.3659      2.00000
      3       2.8541      2.00000
      4       4.9210      2.00000
      5       5.4900      1.99907
      6       7.5282      0.00001
      7       8.5213      0.00000
      8       9.9355      0.00000
      9      10.3429      0.00000
     10      11.2538      0.00000
     11      12.3450      0.00000
     12      12.8026      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5955      2.00000
      2      -0.1899      2.00000
      3       3.1935      2.00000
      4       4.5134      2.00000
      5       5.7256      1.99021
      6       6.9985      0.00120
      7       8.8196      0.00000
      8       9.9974      0.00000
      9      10.3166      0.00000
     10      11.2903      0.00000
     11      11.8066      0.00000
     12      13.0880      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8101      2.00000
      2       0.7572      2.00000
      3       4.4457      2.00000
      4       5.1544      1.99997
      5       6.6816      0.02827
      6       7.5772      0.00000
      7       8.0398      0.00000
      8       8.5349      0.00000
      9      10.1195      0.00000
     10      11.3383      0.00000
     11      12.1142      0.00000
     12      12.3872      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7599      2.00000
      2       0.8011      2.00000
      3       4.3697      2.00000
      4       4.6350      2.00000
      5       7.2176      0.00013
      6       7.6012      0.00000
      7       7.8492      0.00000
      8       8.4798      0.00000
      9      10.5657      0.00000
     10      11.3335      0.00000
     11      11.6529      0.00000
     12      12.4208      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6102      2.00000
      2       0.9293      2.00000
      3       3.4617      2.00000
      4       4.6657      2.00000
      5       6.7384      0.01611
      6       7.8528      0.00000
      7       8.0843      0.00000
      8       9.1156      0.00000
      9      10.5335      0.00000
     10      11.1516      0.00000
     11      11.6954      0.00000
     12      12.8254      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3634      2.00000
      2       1.1209      2.00000
      3       2.5062      2.00000
      4       4.8528      2.00000
      5       5.9059      1.94202
      6       8.0834      0.00000
      7       8.3581      0.00000
      8       9.6079      0.00000
      9      10.3466      0.00000
     10      11.5403      0.00000
     11      11.7814      0.00000
     12      12.8168      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0264      2.00000
      2       1.1868      2.00000
      3       1.8346      2.00000
      4       4.8108      2.00000
      5       5.4358      1.99946
      6       8.4056      0.00000
      7       8.4138      0.00000
      8       8.9683      0.00000
      9      11.1878      0.00000
     10      11.8072      0.00000
     11      12.0774      0.00000
     12      12.1137      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6195      2.00000
      2       0.6283      2.00000
      3       1.9573      2.00000
      4       4.2128      2.00000
      5       5.7035      1.99214
      6       7.8209      0.00000
      7       8.8074      0.00000
      8       9.1018      0.00000
      9      10.8207      0.00000
     10      11.4629      0.00000
     11      12.1836      0.00000
     12      12.6113      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2344      2.00000
      2       0.0793      2.00000
      3       2.2398      2.00000
      4       3.7351      2.00000
      5       6.0573      1.76119
      6       7.2803      0.00007
      7       9.1426      0.00000
      8       9.3915      0.00000
      9      10.3084      0.00000
     10      11.0848      0.00000
     11      12.4029      0.00000
     12      12.8550      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4199      2.00000
      2      -0.0196      2.00000
      3       4.8500      2.00000
      4       5.5703      1.99792
      5       6.7509      0.01423
      6       7.4483      0.00001
      7       7.7192      0.00000
      8       7.8876      0.00000
      9       9.3442      0.00000
     10      11.6160      0.00000
     11      12.7677      0.00000
     12      13.0830      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3689      2.00000
      2       0.0245      2.00000
      3       4.8103      2.00000
      4       4.9854      1.99999
      5       6.8224      0.00698
      6       7.2123      0.00014
      7       7.8670      0.00000
      8       8.2999      0.00000
      9       9.7582      0.00000
     10      11.6929      0.00000
     11      12.0911      0.00000
     12      13.2272      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2166      2.00000
      2       0.1550      2.00000
      3       3.8535      2.00000
      4       5.0232      1.99999
      5       6.0483      1.77947
      6       7.2983      0.00006
      7       8.2575      0.00000
      8       9.2753      0.00000
      9      10.4511      0.00000
     10      10.9518      0.00000
     11      12.3390      0.00000
     12      13.1458      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9651      2.00000
      2       0.3645      2.00000
      3       2.8562      2.00000
      4       4.9216      2.00000
      5       5.4898      1.99907
      6       7.5270      0.00001
      7       8.5208      0.00000
      8       9.9372      0.00000
      9      10.3454      0.00000
     10      11.2580      0.00000
     11      12.3466      0.00000
     12      12.8033      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6199      2.00000
      2       0.6272      2.00000
      3       1.9586      2.00000
      4       4.2133      2.00000
      5       5.7032      1.99217
      6       7.8199      0.00000
      7       8.8072      0.00000
      8       9.1028      0.00000
      9      10.8204      0.00000
     10      11.4640      0.00000
     11      12.1850      0.00000
     12      12.6170      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1982      2.00000
      2       0.7667      2.00000
      3       1.3382      2.00000
      4       3.5381      2.00000
      5       6.0865      1.69248
      6       8.0154      0.00000
      7       8.4328      0.00000
      8       9.2203      0.00000
      9      10.6934      0.00000
     10      10.9768      0.00000
     11      11.7565      0.00000
     12      13.9256      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7828      2.00000
      2       0.3740      2.00000
      3       1.3922      2.00000
      4       3.0878      2.00000
      5       6.4776      0.19858
      6       7.6012      0.00000
      7       8.5578      0.00000
      8       9.5858      0.00000
      9      10.1432      0.00000
     10      10.7931      0.00000
     11      11.6485      0.00000
     12      13.8601      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5663      2.00000
      3       5.2507      1.99991
      4       5.9948      1.86465
      5       6.3352      0.62793
      6       7.0946      0.00046
      7       7.6174      0.00000
      8       8.1169      0.00000
      9       8.6729      0.00000
     10      11.4434      0.00000
     11      13.1130      0.00000
     12      14.1457      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2      -0.5234      2.00000
      3       5.2786      1.99989
      4       5.3090      1.99985
      5       6.1699      1.41022
      6       6.7906      0.00959
      7       8.3167      0.00000
      8       8.3846      0.00000
      9       9.0301      0.00000
     10      11.5686      0.00000
     11      12.3746      0.00000
     12      13.8852      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8576      2.00000
      2      -0.3963      2.00000
      3       4.2308      2.00000
      4       5.2832      1.99988
      5       5.5673      1.99798
      6       6.8013      0.00862
      7       8.5588      0.00000
      8       9.4202      0.00000
      9       9.9423      0.00000
     10      11.2932      0.00000
     11      11.9823      0.00000
     12      13.0366      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5967      2.00000
      2      -0.1907      2.00000
      3       3.1953      2.00000
      4       4.5149      2.00000
      5       5.7245      1.99032
      6       6.9979      0.00121
      7       8.8184      0.00000
      8       9.9982      0.00000
      9      10.3181      0.00000
     10      11.2969      0.00000
     11      11.8092      0.00000
     12      13.0921      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2354      2.00000
      2       0.0788      2.00000
      3       2.2410      2.00000
      4       3.7362      2.00000
      5       6.0563      1.76313
      6       7.2800      0.00007
      7       9.1419      0.00000
      8       9.3922      0.00000
      9      10.3085      0.00000
     10      11.0863      0.00000
     11      12.4040      0.00000
     12      12.8625      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7834      2.00000
      2       0.3739      2.00000
      3       1.3927      2.00000
      4       3.0882      2.00000
      5       6.4770      0.19959
      6       7.6012      0.00000
      7       8.5581      0.00000
      8       9.5853      0.00000
      9      10.1434      0.00000
     10      10.7937      0.00000
     11      11.6489      0.00000
     12      13.8612      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2981      2.00000
      2       0.5557      2.00000
      3       0.7556      2.00000
      4       2.6808      2.00000
      5       6.9222      0.00258
      6       7.8185      0.00000
      7       7.9644      0.00000
      8       9.7148      0.00000
      9      10.0880      0.00000
     10      10.8061      0.00000
     11      11.0556      0.00000
     12      13.7212      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2329      2.00000
      2       2.5806      2.00000
      3       3.0700      2.00000
      4       4.7219      2.00000
      5       6.4123      0.34960
      6       8.0420      0.00000
      7       8.6515      0.00000
      8       9.1553      0.00000
      9      10.4939      0.00000
     10      10.8507      0.00000
     11      11.8486      0.00000
     12      12.6357      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1833      2.00000
      2       2.6321      2.00000
      3       3.0689      2.00000
      4       4.1461      2.00000
      5       7.0922      0.00047
      6       8.0828      0.00000
      7       8.7008      0.00000
      8       9.0956      0.00000
      9       9.8214      0.00000
     10      10.4935      0.00000
     11      12.4866      0.00000
     12      13.1104      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0352      2.00000
      2       2.7860      2.00000
      3       2.7886      2.00000
      4       3.5468      2.00000
      5       8.1544      0.00000
      6       8.1609      0.00000
      7       8.8452      0.00000
      8       8.8543      0.00000
      9       8.8569      0.00000
     10      10.1773      0.00000
     11      13.0604      0.00000
     12      13.7814      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7916      2.00000
      2       1.9407      2.00000
      3       3.0430      2.00000
      4       3.6084      2.00000
      5       7.6300      0.00000
      6       7.9953      0.00000
      7       8.6114      0.00000
      8       9.0807      0.00000
      9       9.3139      0.00000
     10      10.5978      0.00000
     11      12.7750      0.00000
     12      13.6507      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4600      2.00000
      2       1.0631      2.00000
      3       3.3997      2.00000
      4       3.8486      2.00000
      5       6.7342      0.01680
      6       7.3066      0.00006
      7       8.9180      0.00000
      8       9.3934      0.00000
      9       9.6736      0.00000
     10      11.8353      0.00000
     11      12.0277      0.00000
     12      12.9289      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0636      2.00000
      2       0.2891      2.00000
      3       3.8511      2.00000
      4       4.1378      2.00000
      5       5.9002      1.94514
      6       6.6897      0.02609
      7       9.3529      0.00000
      8       9.6894      0.00000
      9       9.9460      0.00000
     10      11.2572      0.00000
     11      12.1552      0.00000
     12      12.9823      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6993      2.00000
      2      -0.2664      2.00000
      3       4.3502      2.00000
      4       4.3809      2.00000
      5       5.1949      1.99995
      6       6.2899      0.83710
      7       9.8252      0.00000
      8       9.8758      0.00000
      9      10.2764      0.00000
     10      10.5612      0.00000
     11      11.5924      0.00000
     12      12.9140      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9904      2.00000
      2       1.7685      2.00000
      3       3.1276      2.00000
      4       4.9648      2.00000
      5       6.5703      0.08356
      6       7.9127      0.00000
      7       8.5957      0.00000
      8       9.6044      0.00000
      9      10.0244      0.00000
     10      10.9353      0.00000
     11      11.3334      0.00000
     12      12.6458      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9405      2.00000
      2       1.8133      2.00000
      3       3.1501      2.00000
      4       4.3622      2.00000
      5       7.1895      0.00018
      6       8.0201      0.00000
      7       8.4996      0.00000
      8       9.1893      0.00000
      9       9.8995      0.00000
     10      10.6056      0.00000
     11      11.9373      0.00000
     12      13.1392      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7918      2.00000
      2       1.9380      2.00000
      3       3.0449      2.00000
      4       3.6095      2.00000
      5       7.6293      0.00000
      6       7.9952      0.00000
      7       8.6149      0.00000
      8       9.0839      0.00000
      9       9.3121      0.00000
     10      10.5937      0.00000
     11      12.7754      0.00000
     12      13.6505      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5469      2.00000
      2       1.9674      2.00000
      3       2.4542      2.00000
      4       3.6326      2.00000
      5       6.8637      0.00463
      6       7.9181      0.00000
      7       8.5320      0.00000
      8       9.1099      0.00000
      9      10.0699      0.00000
     10      10.9304      0.00000
     11      13.0677      0.00000
     12      13.0703      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2131      2.00000
      2       1.2626      2.00000
      3       2.6043      2.00000
      4       3.8895      2.00000
      5       6.0111      1.84258
      6       7.3194      0.00005
      7       8.6443      0.00000
      8       9.4219      0.00000
      9      10.6268      0.00000
     10      11.8675      0.00000
     11      12.3498      0.00000
     12      12.6909      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8122      2.00000
      2       0.5025      2.00000
      3       2.9774      2.00000
      4       4.1988      2.00000
      5       5.2612      1.99991
      6       6.6660      0.03295
      7       8.9692      0.00000
      8       9.7797      0.00000
      9      10.8972      0.00000
     10      11.3830      0.00000
     11      12.0374      0.00000
     12      13.5857      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4389      2.00000
      2      -0.0574      2.00000
      3       3.3393      2.00000
      4       4.4072      2.00000
      5       4.7671      2.00000
      6       6.2232      1.16760
      7       9.2526      0.00000
      8      10.1384      0.00000
      9      10.8071      0.00000
     10      11.1127      0.00000
     11      11.5724      0.00000
     12      13.4996      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6607      2.00000
      2       0.8840      2.00000
      3       3.4307      2.00000
      4       5.3005      1.99986
      5       6.4578      0.23676
      6       7.4687      0.00001
      7       8.6784      0.00000
      8       8.8181      0.00000
      9      10.6513      0.00000
     10      11.2486      0.00000
     11      11.4913      0.00000
     12      12.5303      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6105      2.00000
      2       0.9290      2.00000
      3       3.4616      2.00000
      4       4.6657      2.00000
      5       6.7379      0.01619
      6       7.8657      0.00000
      7       8.0769      0.00000
      8       9.1110      0.00000
      9      10.5332      0.00000
     10      11.1543      0.00000
     11      11.6944      0.00000
     12      12.8228      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4605      2.00000
      2       1.0608      2.00000
      3       3.4014      2.00000
      4       3.8496      2.00000
      5       6.7338      0.01687
      6       7.3066      0.00006
      7       8.9216      0.00000
      8       9.3963      0.00000
      9       9.6752      0.00000
     10      11.8273      0.00000
     11      12.0289      0.00000
     12      12.9299      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2134      2.00000
      2       1.2607      2.00000
      3       2.6066      2.00000
      4       3.8893      2.00000
      5       6.0115      1.84199
      6       7.3181      0.00005
      7       8.6462      0.00000
      8       9.4221      0.00000
      9      10.6327      0.00000
     10      11.8628      0.00000
     11      12.3468      0.00000
     12      12.6913      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8756      2.00000
      2       1.3431      2.00000
      3       1.9409      2.00000
      4       4.1202      2.00000
      5       5.2386      1.99992
      6       7.3394      0.00004
      7       8.0479      0.00000
      8       9.7350      0.00000
      9      11.2769      0.00000
     10      11.8834      0.00000
     11      12.5402      0.00000
     12      12.7926      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4670      2.00000
      2       0.7727      2.00000
      3       2.0883      2.00000
      4       4.1376      2.00000
      5       4.8463      2.00000
      6       6.8536      0.00512
      7       8.1223      0.00000
      8      10.0419      0.00000
      9      10.6832      0.00000
     10      12.0002      0.00000
     11      12.8454      0.00000
     12      13.3152      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0782      2.00000
      2       0.2176      2.00000
      3       2.3893      2.00000
      4       3.7738      2.00000
      5       5.0158      1.99999
      6       6.3868      0.42928
      7       8.3417      0.00000
      8      10.0596      0.00000
      9      10.5418      0.00000
     10      11.6788      0.00000
     11      13.0050      0.00000
     12      13.6661      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2678      2.00000
      2       0.1100      2.00000
      3       3.8149      2.00000
      4       5.7161      1.99110
      5       5.9135      1.93761
      6       7.5824      0.00000
      7       7.8647      0.00000
      8       8.9550      0.00000
      9      10.1166      0.00000
     10      11.6335      0.00000
     11      12.2074      0.00000
     12      12.8459      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2169      2.00000
      2       0.1548      2.00000
      3       3.8536      2.00000
      4       5.0231      1.99999
      5       6.0471      1.78179
      6       7.3015      0.00006
      7       8.2617      0.00000
      8       9.2709      0.00000
      9      10.4496      0.00000
     10      10.9533      0.00000
     11      12.3358      0.00000
     12      13.1453      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0645      2.00000
      2       0.2875      2.00000
      3       3.8525      2.00000
      4       4.1385      2.00000
      5       5.9004      1.94506
      6       6.6901      0.02597
      7       9.3561      0.00000
      8       9.6918      0.00000
      9       9.9484      0.00000
     10      11.2592      0.00000
     11      12.1570      0.00000
     12      12.9805      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8129      2.00000
      2       0.5011      2.00000
      3       2.9796      2.00000
      4       4.1983      2.00000
      5       5.2619      1.99990
      6       6.6652      0.03320
      7       8.9710      0.00000
      8       9.7793      0.00000
      9      10.9033      0.00000
     10      11.3834      0.00000
     11      12.0390      0.00000
     12      13.5806      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4674      2.00000
      2       0.7716      2.00000
      3       2.0897      2.00000
      4       4.1379      2.00000
      5       4.8461      2.00000
      6       6.8529      0.00515
      7       8.1234      0.00000
      8      10.0417      0.00000
      9      10.6836      0.00000
     10      12.0019      0.00000
     11      12.8505      0.00000
     12      13.3146      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0449      2.00000
      2       0.9234      2.00000
      3       1.4686      2.00000
      4       3.5884      2.00000
      5       5.0898      1.99998
      6       6.9438      0.00208
      7       7.5413      0.00001
      8       9.8498      0.00000
      9      10.6265      0.00000
     10      12.2755      0.00000
     11      12.9066      0.00000
     12      14.0755      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6270      2.00000
      2       0.5212      2.00000
      3       1.5433      2.00000
      4       3.1481      2.00000
      5       5.4321      1.99948
      6       6.6105      0.05670
      7       7.5330      0.00001
      8       9.4958      0.00000
      9      10.9400      0.00000
     10      11.9961      0.00000
     11      12.9249      0.00000
     12      14.5549      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9103      2.00000
      2      -0.4401      2.00000
      3       4.1837      2.00000
      4       5.4031      1.99961
      5       6.1398      1.52730
      6       7.2413      0.00011
      7       7.8006      0.00000
      8       8.9624      0.00000
      9       9.8220      0.00000
     10      11.9846      0.00000
     11      11.9888      0.00000
     12      13.4018      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8578      2.00000
      2      -0.3965      2.00000
      3       4.2310      2.00000
      4       5.2827      1.99988
      5       5.5661      1.99801
      6       6.8036      0.00843
      7       8.5656      0.00000
      8       9.4189      0.00000
      9       9.9369      0.00000
     10      11.2935      0.00000
     11      11.9801      0.00000
     12      13.0377      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7006      2.00000
      2      -0.2674      2.00000
      3       4.3510      2.00000
      4       4.3813      2.00000
      5       5.1957      1.99995
      6       6.2908      0.83280
      7       9.8269      0.00000
      8       9.8790      0.00000
      9      10.2786      0.00000
     10      10.5638      0.00000
     11      11.5949      0.00000
     12      12.9157      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4401      2.00000
      2      -0.0582      2.00000
      3       3.3411      2.00000
      4       4.4078      2.00000
      5       4.7666      2.00000
      6       6.2231      1.16821
      7       9.2541      0.00000
      8      10.1374      0.00000
      9      10.8079      0.00000
     10      11.1168      0.00000
     11      11.5776      0.00000
     12      13.5036      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0791      2.00000
      2       0.2170      2.00000
      3       2.3904      2.00000
      4       3.7748      2.00000
      5       5.0149      1.99999
      6       6.3866      0.42979
      7       8.3426      0.00000
      8      10.0605      0.00000
      9      10.5409      0.00000
     10      11.6797      0.00000
     11      13.0124      0.00000
     12      13.6672      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6276      2.00000
      2       0.5210      2.00000
      3       1.5438      2.00000
      4       3.1486      2.00000
      5       5.4315      1.99948
      6       6.6106      0.05665
      7       7.5333      0.00001
      8       9.4963      0.00000
      9      10.9394      0.00000
     10      11.9965      0.00000
     11      12.9252      0.00000
     12      14.5622      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1425      2.00000
      2       0.7127      2.00000
      3       0.9080      2.00000
      4       2.7405      2.00000
      5       5.8783      1.95569
      6       6.7446      0.01515
      7       6.9310      0.00236
      8       9.1436      0.00000
      9      11.3856      0.00000
     10      12.1297      0.00000
     11      12.3486      0.00000
     12      14.6360      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7468      2.00000
      2       1.7598      2.00000
      3       2.3747      2.00000
      4       5.2072      1.99994
      5       6.3589      0.53057
      6       7.4640      0.00001
      7       9.7087      0.00000
      8       9.7333      0.00000
      9      10.0275      0.00000
     10      10.3495      0.00000
     11      11.2981      0.00000
     12      12.4509      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6968      2.00000
      2       1.8118      2.00000
      3       2.4028      2.00000
      4       4.5748      2.00000
      5       6.6591      0.03525
      6       7.9184      0.00000
      7       8.9565      0.00000
      8       9.4192      0.00000
      9       9.9081      0.00000
     10      10.6776      0.00000
     11      11.9799      0.00000
     12      12.8259      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5475      2.00000
      2       1.9675      2.00000
      3       2.4546      2.00000
      4       3.6320      2.00000
      5       6.8637      0.00463
      6       7.9185      0.00000
      7       8.5408      0.00000
      8       9.1046      0.00000
      9      10.0684      0.00000
     10      10.9267      0.00000
     11      13.0684      0.00000
     12      13.0771      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3015      2.00000
      2       2.2252      2.00000
      3       2.2278      2.00000
      4       3.0625      2.00000
      5       6.8990      0.00325
      6       6.9008      0.00320
      7       7.9359      0.00000
      8      10.3166      0.00000
      9      10.3219      0.00000
     10      11.1675      0.00000
     11      12.3416      0.00000
     12      13.7458      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9658      2.00000
      2       1.4811      2.00000
      3       2.5860      2.00000
      4       3.1517      2.00000
      5       5.9567      1.90547
      6       6.5459      0.10547
      7       7.8195      0.00000
      8      10.6607      0.00000
      9      10.8581      0.00000
     10      11.3738      0.00000
     11      12.5441      0.00000
     12      13.5732      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5609      2.00000
      2       0.7237      2.00000
      3       3.0417      2.00000
      4       3.3923      2.00000
      5       5.1074      1.99998
      6       6.0268      1.81812
      7       8.0353      0.00000
      8      10.4500      0.00000
      9      11.0957      0.00000
     10      11.5050      0.00000
     11      12.9355      0.00000
     12      13.9411      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1793      2.00000
      2       0.1578      2.00000
      3       3.5536      2.00000
      4       3.5951      2.00000
      5       4.3917      2.00000
      6       5.6729      1.99421
      7       8.2592      0.00000
      8      10.0643      0.00000
      9      11.5927      0.00000
     10      11.6366      0.00000
     11      12.2873      0.00000
     12      14.0092      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4146      2.00000
      2       1.0727      2.00000
      3       2.4690      2.00000
      4       5.5425      1.99842
      5       5.7119      1.99146
      6       7.5454      0.00001
      7       8.9112      0.00000
      8      10.0096      0.00000
      9      10.2153      0.00000
     10      11.0872      0.00000
     11      11.4374      0.00000
     12      12.6321      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3642      2.00000
      2       1.1202      2.00000
      3       2.5070      2.00000
      4       4.8525      2.00000
      5       5.9056      1.94220
      6       8.0969      0.00000
      7       8.3529      0.00000
      8       9.6053      0.00000
      9      10.3419      0.00000
     10      11.5420      0.00000
     11      11.7811      0.00000
     12      12.8280      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2139      2.00000
      2       1.2602      2.00000
      3       2.6076      2.00000
      4       3.8887      2.00000
      5       6.0114      1.84211
      6       7.3190      0.00005
      7       8.6509      0.00000
      8       9.4210      0.00000
      9      10.6282      0.00000
     10      11.8631      0.00000
     11      12.3515      0.00000
     12      12.6894      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9661      2.00000
      2       1.4791      2.00000
      3       2.5874      2.00000
      4       3.1524      2.00000
      5       5.9560      1.90609
      6       6.5461      0.10530
      7       7.8211      0.00000
      8      10.6648      0.00000
      9      10.8603      0.00000
     10      11.3724      0.00000
     11      12.5384      0.00000
     12      13.5746      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6268      2.00000
      2       1.6026      2.00000
      3       2.0802      2.00000
      4       3.2288      2.00000
      5       5.3103      1.99985
      6       6.3081      0.75029
      7       7.2570      0.00009
      8      10.3493      0.00000
      9      11.2289      0.00000
     10      12.2100      0.00000
     11      13.0083      0.00000
     12      13.9519      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2151      2.00000
      2       1.0084      2.00000
      3       2.2936      2.00000
      4       3.5093      2.00000
      5       4.5838      2.00000
      6       5.9195      1.93384
      7       7.2078      0.00015
      8       9.7515      0.00000
      9      11.6150      0.00000
     10      12.7678      0.00000
     11      13.6227      0.00000
     12      14.2406      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8193      2.00000
      2       0.4432      2.00000
      3       2.6349      2.00000
      4       3.7132      2.00000
      5       4.0856      2.00000
      6       5.5502      1.99830
      7       7.3402      0.00004
      8       9.3722      0.00000
      9      11.9779      0.00000
     10      12.8738      0.00000
     11      13.2995      0.00000
     12      14.9016      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0169      2.00000
      2       0.3176      2.00000
      3       2.8136      2.00000
      4       5.0241      1.99999
      5       5.9576      1.90469
      6       7.8131      0.00000
      7       8.1039      0.00000
      8       9.7730      0.00000
      9      10.5987      0.00000
     10      11.1094      0.00000
     11      12.1790      0.00000
     12      12.9270      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9659      2.00000
      2       0.3637      2.00000
      3       2.8570      2.00000
      4       4.9218      2.00000
      5       5.4887      1.99908
      6       7.5299      0.00001
      7       8.5264      0.00000
      8       9.9359      0.00000
      9      10.3447      0.00000
     10      11.2542      0.00000
     11      12.3458      0.00000
     12      12.8128      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8134      2.00000
      2       0.5006      2.00000
      3       2.9806      2.00000
      4       4.1978      2.00000
      5       5.2617      1.99990
      6       6.6660      0.03294
      7       8.9747      0.00000
      8       9.7801      0.00000
      9      10.8990      0.00000
     10      11.3871      0.00000
     11      12.0370      0.00000
     12      13.5793      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5615      2.00000
      2       0.7222      2.00000
      3       3.0428      2.00000
      4       3.3927      2.00000
      5       5.1073      1.99998
      6       6.0272      1.81754
      7       8.0371      0.00000
      8      10.4515      0.00000
      9      11.0995      0.00000
     10      11.5071      0.00000
     11      12.9379      0.00000
     12      13.9330      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2155      2.00000
      2       1.0073      2.00000
      3       2.2950      2.00000
      4       3.5090      2.00000
      5       4.5840      2.00000
      6       5.9192      1.93406
      7       7.2088      0.00015
      8       9.7521      0.00000
      9      11.6149      0.00000
     10      12.7739      0.00000
     11      13.6234      0.00000
     12      14.2340      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7913      2.00000
      2       1.1837      2.00000
      3       1.6771      2.00000
      4       3.5570      2.00000
      5       4.2336      2.00000
      6       5.9076      1.94109
      7       6.6372      0.04369
      8       9.1740      0.00000
      9      12.0191      0.00000
     10      13.6287      0.00000
     11      14.2018      0.00000
     12      14.3535      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3687      2.00000
      2       0.7631      2.00000
      3       1.7929      2.00000
      4       3.2293      2.00000
      5       4.4160      2.00000
      6       5.6398      1.99584
      7       6.5273      0.12571
      8       8.8322      0.00000
      9      12.3996      0.00000
     10      13.3736      0.00000
     11      14.3268      0.00000
     12      14.8106      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6499      2.00000
      2      -0.2362      2.00000
      3       3.1470      2.00000
      4       4.5143      2.00000
      5       6.3803      0.45153
      6       7.4827      0.00001
      7       8.0609      0.00000
      8       9.4704      0.00000
      9      10.9602      0.00000
     10      11.2396      0.00000
     11      12.3644      0.00000
     12      12.4965      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5975      2.00000
      2      -0.1914      2.00000
      3       3.1962      2.00000
      4       4.5149      2.00000
      5       5.7230      1.99046
      6       7.0002      0.00118
      7       8.8257      0.00000
      8      10.0001      0.00000
      9      10.3176      0.00000
     10      11.2889      0.00000
     11      11.8090      0.00000
     12      13.0939      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4406      2.00000
      2      -0.0587      2.00000
      3       3.3424      2.00000
      4       4.4077      2.00000
      5       4.7656      2.00000
      6       6.2239      1.16422
      7       9.2570      0.00000
      8      10.1400      0.00000
      9      10.8114      0.00000
     10      11.1146      0.00000
     11      11.5724      0.00000
     12      13.5010      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1805      2.00000
      2       0.1569      2.00000
      3       3.5543      2.00000
      4       3.5951      2.00000
      5       4.3922      2.00000
      6       5.6736      1.99417
      7       8.2607      0.00000
      8      10.0661      0.00000
      9      11.5957      0.00000
     10      11.6394      0.00000
     11      12.2904      0.00000
     12      14.0114      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8202      2.00000
      2       0.4426      2.00000
      3       2.6360      2.00000
      4       3.7136      2.00000
      5       4.0851      2.00000
      6       5.5503      1.99830
      7       7.3411      0.00004
      8       9.3732      0.00000
      9      11.9769      0.00000
     10      12.8763      0.00000
     11      13.3058      0.00000
     12      14.9067      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3692      2.00000
      2       0.7628      2.00000
      3       1.7934      2.00000
      4       3.2297      2.00000
      5       4.4154      2.00000
      6       5.6399      1.99583
      7       6.5276      0.12531
      8       8.8326      0.00000
      9      12.3990      0.00000
     10      13.3742      0.00000
     11      14.3272      0.00000
     12      14.8180      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1158      2.00000
      2       0.9733      2.00000
      3       1.1598      2.00000
      4       2.8303      2.00000
      5       4.8545      2.00000
      6       5.7062      1.99193
      7       5.9179      1.93490
      8       8.5245      0.00000
      9      12.8470      0.00000
     10      13.5713      0.00000
     11      13.7769      0.00000
     12      15.8096      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0787      2.00000
      2       1.1346      2.00000
      3       1.7976      2.00000
      4       4.9127      2.00000
      5       5.8766      1.95642
      6       7.8027      0.00000
      7       9.1193      0.00000
      8       9.4007      0.00000
      9      10.4740      0.00000
     10      11.3142      0.00000
     11      11.9585      0.00000
     12      12.7730      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0281      2.00000
      2       1.1868      2.00000
      3       1.8351      2.00000
      4       4.8117      2.00000
      5       5.4344      1.99947
      6       8.4060      0.00000
      7       8.4303      0.00000
      8       8.9585      0.00000
      9      11.1886      0.00000
     10      11.8035      0.00000
     11      12.0696      0.00000
     12      12.1301      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8770      2.00000
      2       1.3433      2.00000
      3       1.9417      2.00000
      4       4.1191      2.00000
      5       5.2392      1.99992
      6       7.3405      0.00004
      7       8.0513      0.00000
      8       9.7360      0.00000
      9      11.2799      0.00000
     10      11.8795      0.00000
     11      12.5383      0.00000
     12      12.7961      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6277      2.00000
      2       1.6033      2.00000
      3       2.0812      2.00000
      4       3.2268      2.00000
      5       5.3114      1.99984
      6       6.3085      0.74824
      7       7.2575      0.00009
      8      10.3504      0.00000
      9      11.2326      0.00000
     10      12.2073      0.00000
     11      13.0035      0.00000
     12      13.9560      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2858      2.00000
      2       1.9633      2.00000
      3       1.9663      2.00000
      4       2.6942      2.00000
      5       5.3558      1.99976
      6       5.3575      1.99975
      7       6.6495      0.03876
      8       9.6522      0.00000
      9      12.5601      0.00000
     10      12.5656      0.00000
     11      13.4996      0.00000
     12      14.7073      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8688      2.00000
      2       1.3197      2.00000
      3       2.4227      2.00000
      4       2.8148      2.00000
      5       4.5019      2.00000
      6       5.1999      1.99995
      7       6.4053      0.37023
      8       9.0745      0.00000
      9      12.9866      0.00000
     10      13.3030      0.00000
     11      14.6450      0.00000
     12      14.6752      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4607      2.00000
      2       0.7448      2.00000
      3       2.9386      2.00000
      4       2.9981      2.00000
      5       3.7831      2.00000
      6       4.9656      2.00000
      7       6.4180      0.33336
      8       8.7347      0.00000
      9      13.4602      0.00000
     10      13.5712      0.00000
     11      14.1437      0.00000
     12      15.4866      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6727      2.00000
      2       0.5772      2.00000
      3       1.9160      2.00000
      4       4.2072      2.00000
      5       6.2911      0.83160
      6       8.1283      0.00000
      7       8.4275      0.00000
      8       9.6730      0.00000
      9      10.1360      0.00000
     10      11.5118      0.00000
     11      11.9935      0.00000
     12      12.5041      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6216      2.00000
      2       0.6258      2.00000
      3       1.9606      2.00000
      4       4.2146      2.00000
      5       5.7011      1.99233
      6       7.8218      0.00000
      7       8.8233      0.00000
      8       9.0928      0.00000
      9      10.8243      0.00000
     10      11.4679      0.00000
     11      12.1723      0.00000
     12      12.6293      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4689      2.00000
      2       0.7705      2.00000
      3       2.0919      2.00000
      4       4.1386      2.00000
      5       4.8448      2.00000
      6       6.8532      0.00514
      7       8.1269      0.00000
      8      10.0435      0.00000
      9      10.6873      0.00000
     10      12.0025      0.00000
     11      12.8370      0.00000
     12      13.3305      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2165      2.00000
      2       1.0066      2.00000
      3       2.2977      2.00000
      4       3.5071      2.00000
      5       4.5847      2.00000
      6       5.9188      1.93431
      7       7.2102      0.00015
      8       9.7533      0.00000
      9      11.6191      0.00000
     10      12.7681      0.00000
     11      13.6247      0.00000
     12      14.2357      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8691      2.00000
      2       1.3184      2.00000
      3       2.4236      2.00000
      4       2.8150      2.00000
      5       4.5016      2.00000
      6       5.2004      1.99995
      7       6.4061      0.36776
      8       9.0751      0.00000
      9      12.9910      0.00000
     10      13.3050      0.00000
     11      14.6472      0.00000
     12      14.6673      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4419      2.00000
      2       1.5456      2.00000
      3       1.9371      2.00000
      4       2.9902      2.00000
      5       4.0272      2.00000
      6       4.9530      2.00000
      7       5.8229      1.97431
      8       8.5482      0.00000
      9      13.5362      0.00000
     10      14.5106      0.00000
     11      15.1238      0.00000
     12      15.2172      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0109      2.00000
      2       1.0914      2.00000
      3       2.1353      2.00000
      4       3.2186      2.00000
      5       3.5699      2.00000
      6       4.7739      2.00000
      7       5.6026      1.99713
      8       8.2516      0.00000
      9      13.9402      0.00000
     10      14.7578      0.00000
     11      15.1544      0.00000
     12      15.7485      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2894      2.00000
      2       0.0307      2.00000
      3       2.1929      2.00000
      4       3.7197      2.00000
      5       6.7132      0.02069
      6       7.8115      0.00000
      7       8.4135      0.00000
      8       9.7703      0.00000
      9      10.0352      0.00000
     10      11.4239      0.00000
     11      11.6659      0.00000
     12      12.7964      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2371      2.00000
      2       0.0773      2.00000
      3       2.2431      2.00000
      4       3.7373      2.00000
      5       6.0536      1.76872
      6       7.2816      0.00007
      7       9.1582      0.00000
      8       9.3838      0.00000
      9      10.3123      0.00000
     10      11.0886      0.00000
     11      12.3927      0.00000
     12      12.8749      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0806      2.00000
      2       0.2158      2.00000
      3       2.3929      2.00000
      4       3.7760      2.00000
      5       5.0125      1.99999
      6       6.3871      0.42819
      7       8.3460      0.00000
      8      10.0630      0.00000
      9      10.5445      0.00000
     10      11.6819      0.00000
     11      12.9970      0.00000
     12      13.6849      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8211      2.00000
      2       0.4418      2.00000
      3       2.6390      2.00000
      4       3.7135      2.00000
      5       4.0833      2.00000
      6       5.5500      1.99830
      7       7.3427      0.00004
      8       9.3744      0.00000
      9      11.9814      0.00000
     10      12.8772      0.00000
     11      13.2993      0.00000
     12      14.9046      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4616      2.00000
      2       0.7441      2.00000
      3       2.9390      2.00000
      4       2.9980      2.00000
      5       3.7834      2.00000
      6       4.9663      2.00000
      7       6.4189      0.33076
      8       8.7356      0.00000
      9      13.4639      0.00000
     10      13.5742      0.00000
     11      14.1473      0.00000
     12      15.4893      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0115      2.00000
      2       1.0911      2.00000
      3       2.1359      2.00000
      4       3.2187      2.00000
      5       3.5696      2.00000
      6       4.7742      2.00000
      7       5.6029      1.99712
      8       8.2519      0.00000
      9      13.9396      0.00000
     10      14.7594      0.00000
     11      15.1610      0.00000
     12      15.7491      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4740      2.00000
      2       1.3357      2.00000
      3       1.5058      2.00000
      4       2.9320      2.00000
      5       3.9134      2.00000
      6       4.7498      2.00000
      7       4.9855      1.99999
      8       7.9859      0.00000
      9      14.3862      0.00000
     10      15.0532      0.00000
     11      15.2612      0.00000
     12      16.3916      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2530      2.00000
      2       0.7144      2.00000
      3       1.2950      2.00000
      4       3.5199      2.00000
      5       6.7036      0.02273
      6       8.5037      0.00000
      7       8.7262      0.00000
      8       8.9579      0.00000
      9      10.1892      0.00000
     10      11.0412      0.00000
     11      11.1938      0.00000
     12      13.5241      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2017      2.00000
      2       0.7668      2.00000
      3       1.3393      2.00000
      4       3.5409      2.00000
      5       6.0824      1.70313
      6       8.0168      0.00000
      7       8.4421      0.00000
      8       9.2177      0.00000
      9      10.6996      0.00000
     10      10.9813      0.00000
     11      11.7587      0.00000
     12      13.9236      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0481      2.00000
      2       0.9238      2.00000
      3       1.4699      2.00000
      4       3.5912      2.00000
      5       5.0861      1.99998
      6       6.9452      0.00205
      7       7.5445      0.00001
      8       9.8532      0.00000
      9      10.6287      0.00000
     10      12.2802      0.00000
     11      12.9087      0.00000
     12      14.0763      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7940      2.00000
      2       1.1845      2.00000
      3       1.6790      2.00000
      4       3.5580      2.00000
      5       4.2312      2.00000
      6       5.9082      1.94070
      7       6.6388      0.04304
      8       9.1764      0.00000
      9      12.0219      0.00000
     10      13.6315      0.00000
     11      14.1925      0.00000
     12      14.3677      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4437      2.00000
      2       1.5471      2.00000
      3       1.9397      2.00000
      4       2.9860      2.00000
      5       4.0292      2.00000
      6       4.9526      2.00000
      7       5.8233      1.97419
      8       8.5493      0.00000
      9      13.5396      0.00000
     10      14.5067      0.00000
     11      15.1289      0.00000
     12      15.2132      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0101      2.00000
      2       2.0031      2.00000
      3       2.0075      2.00000
      4       2.4570      2.00000
      5       4.0939      2.00000
      6       4.0971      2.00000
      7       5.1667      1.99996
      8       8.0780      0.00000
      9      14.9561      0.00000
     10      14.9622      0.00000
     11      15.8043      0.00000
     12      15.9459      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4368      2.00000
      2       1.4815      2.00000
      3       2.5225      2.00000
      4       2.5952      2.00000
      5       3.3755      2.00000
      6       4.1217      2.00000
      7       4.7884      2.00000
      8       7.8210      0.00000
      9      15.4020      0.00000
     10      15.6005      0.00000
     11      15.9889      0.00000
     12      16.8472      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8392      2.00000
      2       0.3219      2.00000
      3       1.3462      2.00000
      4       3.0692      2.00000
      5       7.1272      0.00033
      6       8.2037      0.00000
      7       8.8509      0.00000
      8       9.2267      0.00000
      9       9.9507      0.00000
     10      10.6217      0.00000
     11      10.9022      0.00000
     12      13.4454      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7870      2.00000
      2       0.3713      2.00000
      3       1.3969      2.00000
      4       3.0908      2.00000
      5       6.4717      0.20932
      6       7.6017      0.00000
      7       8.5673      0.00000
      8       9.5857      0.00000
      9      10.1486      0.00000
     10      10.7963      0.00000
     11      11.6544      0.00000
     12      13.8629      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6310      2.00000
      2       0.5187      2.00000
      3       1.5483      2.00000
      4       3.1513      2.00000
      5       5.4268      1.99950
      6       6.6103      0.05682
      7       7.5391      0.00001
      8       9.4999      0.00000
      9      10.9413      0.00000
     10      11.9997      0.00000
     11      12.9307      0.00000
     12      14.5617      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3721      2.00000
      2       0.7609      2.00000
      3       1.7985      2.00000
      4       3.2324      2.00000
      5       4.4103      2.00000
      6       5.6390      1.99587
      7       6.5317      0.12060
      8       8.8348      0.00000
      9      12.4014      0.00000
     10      13.3781      0.00000
     11      14.3248      0.00000
     12      14.8267      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0134      2.00000
      2       1.0898      2.00000
      3       2.1420      2.00000
      4       3.2183      2.00000
      5       3.5663      2.00000
      6       4.7729      2.00000
      7       5.6053      1.99705
      8       8.2529      0.00000
      9      13.9427      0.00000
     10      14.7622      0.00000
     11      15.1495      0.00000
     12      15.7688      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4363      2.00000
      2       1.4811      2.00000
      3       2.5228      2.00000
      4       2.5949      2.00000
      5       3.3757      2.00000
      6       4.1223      2.00000
      7       4.7888      2.00000
      8       7.8213      0.00000
      9      15.4060      0.00000
     10      15.6027      0.00000
     11      15.9924      0.00000
     12      16.8519      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9236      2.00000
      2       1.7937      2.00000
      3       1.9287      2.00000
      4       2.9416      2.00000
      5       3.1621      2.00000
      6       3.8927      2.00000
      7       4.1609      2.00000
      8       7.5892      0.00000
      9      15.9366      0.00000
     10      16.4658      0.00000
     11      16.7193      0.00000
     12      16.7967      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3594      2.00000
      2       0.5033      2.00000
      3       0.7105      2.00000
      4       2.6639      2.00000
      5       7.5567      0.00000
      6       8.5299      0.00000
      7       8.6319      0.00000
      8       9.3197      0.00000
      9      10.0128      0.00000
     10      10.0582      0.00000
     11      10.2917      0.00000
     12      13.3404      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3074      2.00000
      2       0.5558      2.00000
      3       0.7615      2.00000
      4       2.6847      2.00000
      5       6.9097      0.00293
      6       7.8200      0.00000
      7       7.9775      0.00000
      8       9.7207      0.00000
      9      10.0860      0.00000
     10      10.8108      0.00000
     11      11.0647      0.00000
     12      13.7235      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1514      2.00000
      2       0.7129      2.00000
      3       0.9142      2.00000
      4       2.7447      2.00000
      5       5.8673      1.96023
      6       6.7460      0.01494
      7       6.9408      0.00214
      8       9.1480      0.00000
      9      11.3823      0.00000
     10      12.1351      0.00000
     11      12.3597      0.00000
     12      14.6404      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1074      2.00000
      2       0.9740      2.00000
      3       1.1665      2.00000
      4       2.8348      2.00000
      5       4.8435      2.00000
      6       5.7069      1.99188
      7       5.9257      1.92977
      8       8.5274      0.00000
      9      12.8435      0.00000
     10      13.5772      0.00000
     11      13.7894      0.00000
     12      15.8157      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4664      2.00000
      2       1.3370      2.00000
      3       1.5133      2.00000
      4       2.9367      2.00000
      5       3.9019      2.00000
      6       4.7495      2.00000
      7       4.9917      1.99999
      8       7.9874      0.00000
      9      14.3826      0.00000
     10      15.0590      0.00000
     11      15.2737      0.00000
     12      16.3948      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9179      2.00000
      2       1.7962      2.00000
      3       1.9378      2.00000
      4       2.9364      2.00000
      5       3.1592      2.00000
      6       3.8907      2.00000
      7       4.1652      2.00000
      8       7.5897      0.00000
      9      15.9323      0.00000
     10      16.4681      0.00000
     11      16.7083      0.00000
     12      16.8291      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4132      2.00000
      2       2.3078      2.00000
      3       2.3139      2.00000
      4       2.3773      2.00000
      5       3.1690      2.00000
      6       3.1783      2.00000
      7       3.5055      2.00000
      8       7.3775      0.00003
      9      17.2355      0.00000
     10      17.2561      0.00000
     11      17.4623      0.00000
     12      17.9440      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5768      2.00000
      2       3.6424      2.00000
      3       4.3750      2.00000
      4       4.3799      2.00000
      5       5.6041      1.99708
      6       6.1560      1.46636
      7       7.7951      0.00000
      8      11.5722      0.00000
      9      11.5763      0.00000
     10      12.1678      0.00000
     11      12.8586      0.00000
     12      12.9898      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5651      2.00000
      3       3.8393      2.00000
      4       4.4241      2.00000
      5       5.9325      1.92505
      6       6.5066      0.15243
      7       7.9488      0.00000
      8      10.8401      0.00000
      9      11.4700      0.00000
     10      11.8614      0.00000
     11      12.3589      0.00000
     12      12.8467      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3801      2.00000
      2       2.6468      2.00000
      3       3.8823      2.00000
      4       4.5708      2.00000
      5       6.1441      1.51156
      6       7.1306      0.00032
      7       8.6203      0.00000
      8       9.8320      0.00000
      9      10.4965      0.00000
     10      11.7936      0.00000
     11      11.8412      0.00000
     12      12.8805      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1381      2.00000
      2       1.6617      2.00000
      3       4.1169      2.00000
      4       4.8141      2.00000
      5       6.3883      0.42409
      6       7.4314      0.00002
      7       8.8277      0.00000
      8       9.4665      0.00000
      9       9.9042      0.00000
     10      10.9715      0.00000
     11      12.0656      0.00000
     12      12.5061      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8095      2.00000
      2       0.7596      2.00000
      3       4.4462      2.00000
      4       5.1501      1.99997
      5       6.6771      0.02953
      6       7.5781      0.00000
      7       8.0406      0.00000
      8       8.5328      0.00000
      9      10.1184      0.00000
     10      11.3467      0.00000
     11      12.1142      0.00000
     12      12.3835      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4189      2.00000
      2      -0.0178      2.00000
      3       4.8509      2.00000
      4       5.5665      1.99800
      5       6.7499      0.01437
      6       7.4461      0.00001
      7       7.7165      0.00000
      8       7.8873      0.00000
      9       9.3431      0.00000
     10      11.6158      0.00000
     11      12.7644      0.00000
     12      13.0909      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5652      2.00000
      3       5.2522      1.99991
      4       5.9914      1.86882
      5       6.3357      0.62598
      6       7.0912      0.00048
      7       7.6127      0.00000
      8       8.1163      0.00000
      9       8.6726      0.00000
     10      11.4424      0.00000
     11      13.1103      0.00000
     12      14.1414      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4299      2.00000
      2       2.6139      2.00000
      3       4.5215      2.00000
      4       4.5264      2.00000
      5       5.7624      1.98589
      6       6.7609      0.01288
      7       8.5640      0.00000
      8      10.4560      0.00000
      9      10.4604      0.00000
     10      11.4054      0.00000
     11      12.8219      0.00000
     12      13.0018      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3804      2.00000
      2       2.6466      2.00000
      3       3.8827      2.00000
      4       4.5706      2.00000
      5       6.1444      1.51034
      6       7.1355      0.00031
      7       8.6134      0.00000
      8       9.8322      0.00000
      9      10.4966      0.00000
     10      11.7932      0.00000
     11      11.8415      0.00000
     12      12.8755      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2328      2.00000
      2       2.5828      2.00000
      3       3.0714      2.00000
      4       4.7172      2.00000
      5       6.4072      0.36431
      6       8.0461      0.00000
      7       8.6553      0.00000
      8       9.1572      0.00000
      9      10.4915      0.00000
     10      10.8481      0.00000
     11      11.8447      0.00000
     12      12.6323      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9900      2.00000
      2       1.7715      2.00000
      3       3.1278      2.00000
      4       4.9604      2.00000
      5       6.5660      0.08713
      6       7.9144      0.00000
      7       8.5968      0.00000
      8       9.6029      0.00000
      9      10.0310      0.00000
     10      10.9312      0.00000
     11      11.3304      0.00000
     12      12.6417      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2       0.8865      2.00000
      3       3.4311      2.00000
      4       5.2963      1.99987
      5       6.4571      0.23844
      6       7.4662      0.00001
      7       8.6763      0.00000
      8       8.8182      0.00000
      9      10.6494      0.00000
     10      11.2448      0.00000
     11      11.4984      0.00000
     12      12.5296      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2668      2.00000
      2       0.1117      2.00000
      3       3.8158      2.00000
      4       5.7122      1.99143
      5       5.9143      1.93709
      6       7.5776      0.00000
      7       7.8619      0.00000
      8       8.9540      0.00000
      9      10.1156      0.00000
     10      11.6301      0.00000
     11      12.2074      0.00000
     12      12.8482      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9088      2.00000
      2      -0.4389      2.00000
      3       4.1852      2.00000
      4       5.4036      1.99961
      5       6.1364      1.53927
      6       7.2379      0.00011
      7       7.7955      0.00000
      8       8.9595      0.00000
      9       9.8232      0.00000
     10      11.9843      0.00000
     11      11.9859      0.00000
     12      13.3971      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1886      2.00000
      2       1.6211      2.00000
      3       4.7643      2.00000
      4       4.7691      2.00000
      5       6.0250      1.82112
      6       7.0448      0.00076
      7       9.4206      0.00000
      8       9.4251      0.00000
      9       9.8314      0.00000
     10      10.5263      0.00000
     11      12.3410      0.00000
     12      13.2343      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1389      2.00000
      2       1.6624      2.00000
      3       4.1168      2.00000
      4       4.8133      2.00000
      5       6.3883      0.42422
      6       7.4385      0.00001
      7       8.8265      0.00000
      8       9.4677      0.00000
      9       9.8932      0.00000
     10      10.9726      0.00000
     11      12.0654      0.00000
     12      12.5141      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9905      2.00000
      2       1.7724      2.00000
      3       3.1274      2.00000
      4       4.9599      2.00000
      5       6.5658      0.08725
      6       7.9175      0.00000
      7       8.5994      0.00000
      8       9.6044      0.00000
      9      10.0217      0.00000
     10      10.9302      0.00000
     11      11.3347      0.00000
     12      12.6341      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7464      2.00000
      2       1.7618      2.00000
      3       2.3760      2.00000
      4       5.2028      1.99995
      5       6.3585      0.53242
      6       7.4617      0.00001
      7       9.7060      0.00000
      8       9.7372      0.00000
      9      10.0246      0.00000
     10      10.3521      0.00000
     11      11.2943      0.00000
     12      12.4482      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4139      2.00000
      2       1.0751      2.00000
      3       2.4695      2.00000
      4       5.5383      1.99849
      5       5.7132      1.99134
      6       7.5406      0.00001
      7       8.9091      0.00000
      8      10.0084      0.00000
      9      10.2114      0.00000
     10      11.0853      0.00000
     11      11.4410      0.00000
     12      12.6324      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0158      2.00000
      2       0.3194      2.00000
      3       2.8145      2.00000
      4       5.0253      1.99999
      5       5.9537      1.90811
      6       7.8079      0.00000
      7       8.1011      0.00000
      8       9.7696      0.00000
      9      10.5953      0.00000
     10      11.1098      0.00000
     11      12.1754      0.00000
     12      12.9244      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6483      2.00000
      2      -0.2349      2.00000
      3       3.1485      2.00000
      4       4.5149      2.00000
      5       6.3770      0.46330
      6       7.4793      0.00001
      7       8.0558      0.00000
      8       9.4662      0.00000
      9      10.9573      0.00000
     10      11.2411      0.00000
     11      12.3611      0.00000
     12      12.4920      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8613      2.00000
      2       0.7179      2.00000
      3       5.0995      1.99998
      4       5.1043      1.99998
      5       6.3902      0.41795
      6       7.2189      0.00013
      7       8.4869      0.00000
      8       8.4915      0.00000
      9       9.6545      0.00000
     10      11.2109      0.00000
     11      12.0338      0.00000
     12      13.5419      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8112      2.00000
      2       0.7615      2.00000
      3       4.4452      2.00000
      4       5.1484      1.99997
      5       6.6768      0.02963
      6       7.5875      0.00000
      7       8.0380      0.00000
      8       8.5353      0.00000
      9      10.1194      0.00000
     10      11.3254      0.00000
     11      12.1345      0.00000
     12      12.3821      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6615      2.00000
      2       0.8886      2.00000
      3       3.4299      2.00000
      4       5.2948      1.99987
      5       6.4584      0.23558
      6       7.4667      0.00001
      7       8.6791      0.00000
      8       8.8220      0.00000
      9      10.6494      0.00000
     10      11.2426      0.00000
     11      11.4902      0.00000
     12      12.5272      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4148      2.00000
      2       1.0775      2.00000
      3       2.4676      2.00000
      4       5.5374      1.99850
      5       5.7144      1.99124
      6       7.5400      0.00001
      7       8.9124      0.00000
      8      10.0109      0.00000
      9      10.2083      0.00000
     10      11.0961      0.00000
     11      11.4289      0.00000
     12      12.6241      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0780      2.00000
      2       1.1364      2.00000
      3       1.7989      2.00000
      4       4.9144      2.00000
      5       5.8724      1.95817
      6       7.7973      0.00000
      7       9.1163      0.00000
      8       9.3976      0.00000
      9      10.4700      0.00000
     10      11.3121      0.00000
     11      11.9631      0.00000
     12      12.7751      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6717      2.00000
      2       0.5791      2.00000
      3       1.9170      2.00000
      4       4.2084      2.00000
      5       6.2872      0.85024
      6       8.1229      0.00000
      7       8.4247      0.00000
      8       9.6694      0.00000
      9      10.1315      0.00000
     10      11.5073      0.00000
     11      11.9909      0.00000
     12      12.5054      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2879      2.00000
      2       0.0320      2.00000
      3       2.1945      2.00000
      4       3.7203      2.00000
      5       6.7098      0.02138
      6       7.8081      0.00000
      7       8.4083      0.00000
      8       9.7655      0.00000
      9      10.0322      0.00000
     10      11.4206      0.00000
     11      11.6609      0.00000
     12      12.7979      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4732      2.00000
      2      -0.0578      2.00000
      3       5.5141      1.99881
      4       5.5189      1.99876
      5       6.8544      0.00508
      6       7.3442      0.00004
      7       7.6723      0.00000
      8       7.6769      0.00000
      9       8.8384      0.00000
     10      11.4218      0.00000
     11      13.1377      0.00000
     12      13.8864      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4223      2.00000
      2      -0.0140      2.00000
      3       4.8481      2.00000
      4       5.5629      1.99807
      5       6.7536      0.01385
      6       7.4476      0.00001
      7       7.7211      0.00000
      8       7.8883      0.00000
      9       9.3468      0.00000
     10      11.6138      0.00000
     11      12.7609      0.00000
     12      13.0900      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2699      2.00000
      2       0.1158      2.00000
      3       3.8130      2.00000
      4       5.7089      1.99171
      5       5.9183      1.93464
      6       7.5758      0.00000
      7       7.8668      0.00000
      8       8.9560      0.00000
      9      10.1213      0.00000
     10      11.6259      0.00000
     11      12.2069      0.00000
     12      12.8391      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0184      2.00000
      2       0.3239      2.00000
      3       2.8109      2.00000
      4       5.0282      1.99999
      5       5.9509      1.91054
      6       7.8061      0.00000
      7       8.1066      0.00000
      8       9.7704      0.00000
      9      10.5901      0.00000
     10      11.1234      0.00000
     11      12.1636      0.00000
     12      12.9282      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6734      2.00000
      2       0.5839      2.00000
      3       1.9127      2.00000
      4       4.2101      2.00000
      5       6.2854      0.85949
      6       8.1217      0.00000
      7       8.4312      0.00000
      8       9.6631      0.00000
      9      10.1324      0.00000
     10      11.5140      0.00000
     11      11.9932      0.00000
     12      12.4996      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2520      2.00000
      2       0.7161      2.00000
      3       1.2964      2.00000
      4       3.5210      2.00000
      5       6.6998      0.02361
      6       8.4981      0.00000
      7       8.7231      0.00000
      8       8.9547      0.00000
      9      10.1842      0.00000
     10      11.0367      0.00000
     11      11.1911      0.00000
     12      13.5221      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8377      2.00000
      2       0.3233      2.00000
      3       1.3478      2.00000
      4       3.0696      2.00000
      5       7.1239      0.00034
      6       8.2003      0.00000
      7       8.8457      0.00000
      8       9.2237      0.00000
      9       9.9456      0.00000
     10      10.6184      0.00000
     11      10.8972      0.00000
     12      13.4416      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1247      2.00000
      2      -0.6011      2.00000
      3       5.9347      1.92340
      4       5.9396      1.91977
      5       7.0514      0.00071
      6       7.0559      0.00068
      7       7.4037      0.00002
      8       7.4149      0.00002
      9       8.1093      0.00000
     10      11.2732      0.00000
     11      14.1592      0.00000
     12      14.5195      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0722      2.00000
      2      -0.5584      2.00000
      3       5.2454      1.99992
      4       5.9833      1.87847
      5       6.3452      0.58571
      6       7.1006      0.00043
      7       7.6095      0.00000
      8       8.1138      0.00000
      9       8.6826      0.00000
     10      11.4456      0.00000
     11      13.1031      0.00000
     12      14.1327      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9148      2.00000
      2      -0.4318      2.00000
      3       4.1792      2.00000
      4       5.4110      1.99958
      5       6.1285      1.56669
      6       7.2475      0.00010
      7       7.7921      0.00000
      8       8.9597      0.00000
      9       9.8320      0.00000
     10      11.9780      0.00000
     11      11.9892      0.00000
     12      13.3880      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6540      2.00000
      2      -0.2273      2.00000
      3       3.1423      2.00000
      4       4.5206      2.00000
      5       6.3696      0.49021
      6       7.4896      0.00001
      7       8.0525      0.00000
      8       9.4684      0.00000
      9      10.9484      0.00000
     10      11.2537      0.00000
     11      12.3688      0.00000
     12      12.4807      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2929      2.00000
      2       0.0405      2.00000
      3       2.1877      2.00000
      4       3.7242      2.00000
      5       6.7033      0.02281
      6       7.8195      0.00000
      7       8.4054      0.00000
      8       9.7686      0.00000
      9      10.0220      0.00000
     10      11.4267      0.00000
     11      11.6666      0.00000
     12      12.7913      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8414      2.00000
      2       0.3328      2.00000
      3       1.3403      2.00000
      4       3.0716      2.00000
      5       7.1192      0.00036
      6       8.2135      0.00000
      7       8.8436      0.00000
      8       9.2116      0.00000
      9       9.9492      0.00000
     10      10.6222      0.00000
     11      10.8961      0.00000
     12      13.4429      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3580      2.00000
      2       0.5049      2.00000
      3       0.7121      2.00000
      4       2.6642      2.00000
      5       7.5533      0.00000
      6       8.5267      0.00000
      7       8.6287      0.00000
      8       9.3143      0.00000
      9      10.0077      0.00000
     10      10.0549      0.00000
     11      10.2866      0.00000
     12      13.3365      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3805      2.00000
      2       2.6464      2.00000
      3       3.8786      2.00000
      4       4.5753      2.00000
      5       6.1477      1.49822
      6       7.1318      0.00032
      7       8.6129      0.00000
      8       9.8286      0.00000
      9      10.5009      0.00000
     10      11.7955      0.00000
     11      11.8415      0.00000
     12      12.8760      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3309      2.00000
      2       2.6823      2.00000
      3       3.7658      2.00000
      4       4.1221      2.00000
      5       6.7055      0.02232
      6       7.2993      0.00006
      7       8.6578      0.00000
      8       9.6998      0.00000
      9      10.0561      0.00000
     10      11.1919      0.00000
     11      12.2580      0.00000
     12      13.2454      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1832      2.00000
      2       2.6343      2.00000
      3       3.0700      2.00000
      4       4.1423      2.00000
      5       7.0869      0.00050
      6       8.0868      0.00000
      7       8.7045      0.00000
      8       9.0967      0.00000
      9       9.8192      0.00000
     10      10.4920      0.00000
     11      12.4835      0.00000
     12      13.1065      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9402      2.00000
      2       1.8163      2.00000
      3       3.1501      2.00000
      4       4.3584      2.00000
      5       7.1861      0.00018
      6       8.0204      0.00000
      7       8.4997      0.00000
      8       9.1896      0.00000
      9       9.9019      0.00000
     10      10.6058      0.00000
     11      11.9348      0.00000
     12      13.1350      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6099      2.00000
      2       0.9314      2.00000
      3       3.4620      2.00000
      4       4.6621      2.00000
      5       6.7388      0.01605
      6       7.8614      0.00000
      7       8.0750      0.00000
      8       9.1112      0.00000
      9      10.5302      0.00000
     10      11.1526      0.00000
     11      11.7017      0.00000
     12      12.8230      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2159      2.00000
      2       0.1565      2.00000
      3       3.8544      2.00000
      4       5.0199      1.99999
      5       6.0479      1.78019
      6       7.2991      0.00006
      7       8.2565      0.00000
      8       9.2708      0.00000
      9      10.4474      0.00000
     10      10.9504      0.00000
     11      12.3361      0.00000
     12      13.1512      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8563      2.00000
      2      -0.3954      2.00000
      3       4.2325      2.00000
      4       5.2817      1.99988
      5       5.5644      1.99804
      6       6.8009      0.00866
      7       8.5603      0.00000
      8       9.4167      0.00000
      9       9.9371      0.00000
     10      11.2908      0.00000
     11      11.9791      0.00000
     12      13.0354      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1389      2.00000
      2       1.6623      2.00000
      3       4.1125      2.00000
      4       4.8181      2.00000
      5       6.3916      0.41329
      6       7.4344      0.00002
      7       8.8230      0.00000
      8       9.4721      0.00000
      9       9.8934      0.00000
     10      10.9738      0.00000
     11      12.0653      0.00000
     12      12.5121      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0892      2.00000
      2       1.7043      2.00000
      3       4.0176      2.00000
      4       4.3348      2.00000
      5       6.9476      0.00200
      6       7.5949      0.00000
      7       8.6985      0.00000
      8       9.0945      0.00000
      9       9.9658      0.00000
     10      11.3734      0.00000
     11      11.4269      0.00000
     12      12.7851      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9408      2.00000
      2       1.8172      2.00000
      3       3.1497      2.00000
      4       4.3578      2.00000
      5       7.1865      0.00018
      6       8.0230      0.00000
      7       8.5011      0.00000
      8       9.1908      0.00000
      9       9.8991      0.00000
     10      10.6004      0.00000
     11      11.9361      0.00000
     12      13.1302      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6964      2.00000
      2       1.8137      2.00000
      3       2.4040      2.00000
      4       4.5709      2.00000
      5       6.6604      0.03481
      6       7.9137      0.00000
      7       8.9543      0.00000
      8       9.4176      0.00000
      9       9.9121      0.00000
     10      10.6798      0.00000
     11      11.9756      0.00000
     12      12.8222      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3636      2.00000
      2       1.1226      2.00000
      3       2.5074      2.00000
      4       4.8491      2.00000
      5       5.9069      1.94147
      6       8.0920      0.00000
      7       8.3502      0.00000
      8       9.6021      0.00000
      9      10.3420      0.00000
     10      11.5407      0.00000
     11      11.7852      0.00000
     12      12.8247      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9649      2.00000
      2       0.3655      2.00000
      3       2.8579      2.00000
      4       4.9216      2.00000
      5       5.4866      1.99910
      6       7.5274      0.00001
      7       8.5209      0.00000
      8       9.9326      0.00000
      9      10.3422      0.00000
     10      11.2537      0.00000
     11      12.3440      0.00000
     12      12.8098      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5960      2.00000
      2      -0.1903      2.00000
      3       3.1977      2.00000
      4       4.5153      2.00000
      5       5.7200      1.99074
      6       6.9973      0.00122
      7       8.8203      0.00000
      8       9.9956      0.00000
      9      10.3148      0.00000
     10      11.2901      0.00000
     11      11.8066      0.00000
     12      13.0920      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8112      2.00000
      2       0.7615      2.00000
      3       4.4409      2.00000
      4       5.1532      1.99997
      5       6.6803      0.02861
      6       7.5820      0.00000
      7       8.0361      0.00000
      8       8.5398      0.00000
      9      10.1199      0.00000
     10      11.3249      0.00000
     11      12.1333      0.00000
     12      12.3820      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7611      2.00000
      2       0.8054      2.00000
      3       4.3670      2.00000
      4       4.6316      2.00000
      5       7.2192      0.00013
      6       7.6015      0.00000
      7       7.8499      0.00000
      8       8.4814      0.00000
      9      10.5673      0.00000
     10      11.3256      0.00000
     11      11.6435      0.00000
     12      12.4390      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6113      2.00000
      2       0.9336      2.00000
      3       3.4607      2.00000
      4       4.6608      2.00000
      5       6.7411      0.01568
      6       7.8598      0.00000
      7       8.0780      0.00000
      8       9.1165      0.00000
      9      10.5295      0.00000
     10      11.1484      0.00000
     11      11.6914      0.00000
     12      12.8336      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3646      2.00000
      2       1.1250      2.00000
      3       2.5055      2.00000
      4       4.8484      2.00000
      5       5.9080      1.94086
      6       8.0906      0.00000
      7       8.3536      0.00000
      8       9.6010      0.00000
      9      10.3463      0.00000
     10      11.5338      0.00000
     11      11.7871      0.00000
     12      12.8213      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0275      2.00000
      2       1.1886      2.00000
      3       1.8363      2.00000
      4       4.8119      2.00000
      5       5.4322      1.99948
      6       8.4032      0.00000
      7       8.4246      0.00000
      8       8.9558      0.00000
      9      11.1857      0.00000
     10      11.8018      0.00000
     11      12.0723      0.00000
     12      12.1296      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6206      2.00000
      2       0.6277      2.00000
      3       1.9615      2.00000
      4       4.2156      2.00000
      5       5.6978      1.99258
      6       7.8192      0.00000
      7       8.8176      0.00000
      8       9.0896      0.00000
      9      10.8198      0.00000
     10      11.4652      0.00000
     11      12.1682      0.00000
     12      12.6307      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2356      2.00000
      2       0.0785      2.00000
      3       2.2446      2.00000
      4       3.7378      2.00000
      5       6.0506      1.77485
      6       7.2786      0.00007
      7       9.1529      0.00000
      8       9.3808      0.00000
      9      10.3074      0.00000
     10      11.0856      0.00000
     11      12.3879      0.00000
     12      12.8763      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4223      2.00000
      2      -0.0140      2.00000
      3       4.8438      2.00000
      4       5.5677      1.99797
      5       6.7533      0.01390
      6       7.4481      0.00001
      7       7.7256      0.00000
      8       7.8851      0.00000
      9       9.3460      0.00000
     10      11.6125      0.00000
     11      12.7608      0.00000
     12      13.0902      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3713      2.00000
      2       0.0301      2.00000
      3       4.8066      2.00000
      4       4.9805      1.99999
      5       6.8273      0.00665
      6       7.2151      0.00014
      7       7.8635      0.00000
      8       8.3010      0.00000
      9       9.7605      0.00000
     10      11.6899      0.00000
     11      12.0821      0.00000
     12      13.2385      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2190      2.00000
      2       0.1606      2.00000
      3       3.8515      2.00000
      4       5.0173      1.99999
      5       6.0517      1.77270
      6       7.3023      0.00006
      7       8.2552      0.00000
      8       9.2747      0.00000
      9      10.4550      0.00000
     10      10.9429      0.00000
     11      12.3327      0.00000
     12      13.1530      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9675      2.00000
      2       0.3700      2.00000
      3       2.8544      2.00000
      4       4.9230      2.00000
      5       5.4857      1.99911
      6       7.5311      0.00001
      7       8.5202      0.00000
      8       9.9298      0.00000
      9      10.3446      0.00000
     10      11.2587      0.00000
     11      12.3494      0.00000
     12      12.8013      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6223      2.00000
      2       0.6325      2.00000
      3       1.9572      2.00000
      4       4.2172      2.00000
      5       5.6962      1.99270
      6       7.8236      0.00000
      7       8.8191      0.00000
      8       9.0832      0.00000
      9      10.8207      0.00000
     10      11.4678      0.00000
     11      12.1813      0.00000
     12      12.6174      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.2007      2.00000
      2       0.7685      2.00000
      3       1.3406      2.00000
      4       3.5419      2.00000
      5       6.0789      1.71181
      6       8.0140      0.00000
      7       8.4393      0.00000
      8       9.2118      0.00000
      9      10.6969      0.00000
     10      10.9761      0.00000
     11      11.7543      0.00000
     12      13.9285      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7856      2.00000
      2       0.3727      2.00000
      3       1.3984      2.00000
      4       3.0912      2.00000
      5       6.4687      0.21511
      6       7.5986      0.00000
      7       8.5645      0.00000
      8       9.5802      0.00000
      9      10.1451      0.00000
     10      10.7913      0.00000
     11      11.6492      0.00000
     12      13.8587      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0722      2.00000
      2      -0.5584      2.00000
      3       5.2409      1.99992
      4       5.9880      1.87289
      5       6.3420      0.59915
      6       7.1051      0.00041
      7       7.6154      0.00000
      8       8.1105      0.00000
      9       8.6793      0.00000
     10      11.4445      0.00000
     11      13.1030      0.00000
     12      14.1349      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0196      2.00000
      2      -0.5155      2.00000
      3       5.2822      1.99988
      4       5.2898      1.99987
      5       6.1790      1.37160
      6       6.7962      0.00907
      7       8.3183      0.00000
      8       8.3749      0.00000
      9       9.0378      0.00000
     10      11.5699      0.00000
     11      12.3641      0.00000
     12      13.8916      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8624      2.00000
      2      -0.3883      2.00000
      3       4.2264      2.00000
      4       5.2817      1.99988
      5       5.5662      1.99800
      6       6.8073      0.00812
      7       8.5568      0.00000
      8       9.4162      0.00000
      9       9.9489      0.00000
     10      11.2823      0.00000
     11      11.9837      0.00000
     12      13.0424      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.6016      2.00000
      2      -0.1826      2.00000
      3       3.1914      2.00000
      4       4.5208      2.00000
      5       5.7148      1.99121
      6       7.0045      0.00113
      7       8.8176      0.00000
      8       9.9976      0.00000
      9      10.3108      0.00000
     10      11.2955      0.00000
     11      11.8136      0.00000
     12      13.0934      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2407      2.00000
      2       0.0871      2.00000
      3       2.2378      2.00000
      4       3.7417      2.00000
      5       6.0457      1.78446
      6       7.2869      0.00007
      7       9.1537      0.00000
      8       9.3703      0.00000
      9      10.3109      0.00000
     10      11.0904      0.00000
     11      12.4016      0.00000
     12      12.8601      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7893      2.00000
      2       0.3822      2.00000
      3       1.3909      2.00000
      4       3.0932      2.00000
      5       6.4650      0.22218
      6       7.6082      0.00000
      7       8.5570      0.00000
      8       9.5775      0.00000
      9      10.1474      0.00000
     10      10.7958      0.00000
     11      11.6473      0.00000
     12      13.8602      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.3060      2.00000
      2       0.5573      2.00000
      3       0.7631      2.00000
      4       2.6850      2.00000
      5       6.9065      0.00302
      6       7.8170      0.00000
      7       7.9747      0.00000
      8       9.7174      0.00000
      9      10.0805      0.00000
     10      10.8054      0.00000
     11      11.0595      0.00000
     12      13.7191      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9907      2.00000
      2       1.7721      2.00000
      3       3.1240      2.00000
      4       4.9645      2.00000
      5       6.5700      0.08380
      6       7.9146      0.00000
      7       8.5939      0.00000
      8       9.6087      0.00000
      9      10.0218      0.00000
     10      10.9309      0.00000
     11      11.3385      0.00000
     12      12.6352      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9409      2.00000
      2       1.8169      2.00000
      3       3.1465      2.00000
      4       4.3618      2.00000
      5       7.1896      0.00018
      6       8.0215      0.00000
      7       8.4985      0.00000
      8       9.1919      0.00000
      9       9.8992      0.00000
     10      10.6009      0.00000
     11      11.9397      0.00000
     12      13.1306      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7922      2.00000
      2       1.9416      2.00000
      3       3.0428      2.00000
      4       3.6077      2.00000
      5       7.6321      0.00000
      6       7.9942      0.00000
      7       8.6168      0.00000
      8       9.0837      0.00000
      9       9.3086      0.00000
     10      10.5919      0.00000
     11      12.7753      0.00000
     12      13.6598      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5473      2.00000
      2       1.9693      2.00000
      3       2.4553      2.00000
      4       3.6292      2.00000
      5       6.8658      0.00453
      6       7.9166      0.00000
      7       8.5385      0.00000
      8       9.0995      0.00000
      9      10.0728      0.00000
     10      10.9293      0.00000
     11      13.0653      0.00000
     12      13.0754      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2134      2.00000
      2       1.2625      2.00000
      3       2.6077      2.00000
      4       3.8859      2.00000
      5       6.0130      1.83980
      6       7.3176      0.00005
      7       8.6480      0.00000
      8       9.4149      0.00000
      9      10.6290      0.00000
     10      11.8676      0.00000
     11      12.3521      0.00000
     12      12.6871      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8125      2.00000
      2       0.5023      2.00000
      3       2.9813      2.00000
      4       4.1954      2.00000
      5       5.2623      1.99990
      6       6.6643      0.03349
      7       8.9721      0.00000
      8       9.7738      0.00000
      9      10.8990      0.00000
     10      11.3847      0.00000
     11      12.0349      0.00000
     12      13.5860      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4392      2.00000
      2      -0.0576      2.00000
      3       3.3437      2.00000
      4       4.4069      2.00000
      5       4.7641      2.00000
      6       6.2220      1.17379
      7       9.2547      0.00000
      8      10.1339      0.00000
      9      10.8079      0.00000
     10      11.1127      0.00000
     11      11.5725      0.00000
     12      13.5007      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6616      2.00000
      2       0.8884      2.00000
      3       3.4263      2.00000
      4       5.2995      1.99986
      5       6.4586      0.23530
      6       7.4686      0.00001
      7       8.6835      0.00000
      8       8.8168      0.00000
      9      10.6517      0.00000
     10      11.2433      0.00000
     11      11.4902      0.00000
     12      12.5242      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6114      2.00000
      2       0.9334      2.00000
      3       3.4573      2.00000
      4       4.6648      2.00000
      5       6.7392      0.01598
      6       7.8652      0.00000
      7       8.0794      0.00000
      8       9.1121      0.00000
      9      10.5302      0.00000
     10      11.1512      0.00000
     11      11.6908      0.00000
     12      12.8302      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4615      2.00000
      2       1.0652      2.00000
      3       3.3988      2.00000
      4       3.8470      2.00000
      5       6.7360      0.01649
      6       7.3085      0.00005
      7       8.9230      0.00000
      8       9.3967      0.00000
      9       9.6681      0.00000
     10      11.8226      0.00000
     11      12.0294      0.00000
     12      12.9351      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2144      2.00000
      2       1.2649      2.00000
      3       2.6058      2.00000
      4       3.8851      2.00000
      5       6.0141      1.83814
      6       7.3192      0.00005
      7       8.6484      0.00000
      8       9.4133      0.00000
      9      10.6333      0.00000
     10      11.8634      0.00000
     11      12.3472      0.00000
     12      12.6912      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8766      2.00000
      2       1.3450      2.00000
      3       1.9427      2.00000
      4       4.1166      2.00000
      5       5.2404      1.99992
      6       7.3383      0.00004
      7       8.0493      0.00000
      8       9.7294      0.00000
      9      11.2791      0.00000
     10      11.8830      0.00000
     11      12.5398      0.00000
     12      12.7924      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4680      2.00000
      2       0.7722      2.00000
      3       2.0927      2.00000
      4       4.1384      2.00000
      5       4.8432      2.00000
      6       6.8513      0.00524
      7       8.1245      0.00000
      8      10.0376      0.00000
      9      10.6850      0.00000
     10      11.9986      0.00000
     11      12.8372      0.00000
     12      13.3274      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0792      2.00000
      2       0.2169      2.00000
      3       2.3942      2.00000
      4       3.7763      2.00000
      5       5.0101      1.99999
      6       6.3848      0.43602
      7       8.3438      0.00000
      8      10.0601      0.00000
      9      10.5387      0.00000
     10      11.6767      0.00000
     11      12.9985      0.00000
     12      13.6793      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2701      2.00000
      2       0.1156      2.00000
      3       3.8092      2.00000
      4       5.7136      1.99131
      5       5.9158      1.93619
      6       7.5811      0.00000
      7       7.8713      0.00000
      8       8.9530      0.00000
      9      10.1197      0.00000
     10      11.6266      0.00000
     11      12.2030      0.00000
     12      12.8405      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2191      2.00000
      2       0.1605      2.00000
      3       3.8479      2.00000
      4       5.0211      1.99999
      5       6.0494      1.77715
      6       7.3059      0.00006
      7       8.2606      0.00000
      8       9.2701      0.00000
      9      10.4556      0.00000
     10      10.9431      0.00000
     11      12.3295      0.00000
     12      13.1533      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0667      2.00000
      2       0.2932      2.00000
      3       3.8488      2.00000
      4       4.1346      2.00000
      5       5.9036      1.94331
      6       6.6936      0.02510
      7       9.3571      0.00000
      8       9.6936      0.00000
      9       9.9375      0.00000
     10      11.2612      0.00000
     11      12.1563      0.00000
     12      12.9748      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8151      2.00000
      2       0.5068      2.00000
      3       2.9778      2.00000
      4       4.1935      2.00000
      5       5.2648      1.99990
      6       6.6680      0.03231
      7       8.9712      0.00000
      8       9.7709      0.00000
      9      10.9020      0.00000
     10      11.3881      0.00000
     11      12.0389      0.00000
     12      13.5587      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4697      2.00000
      2       0.7771      2.00000
      3       2.0884      2.00000
      4       4.1391      2.00000
      5       4.8427      2.00000
      6       6.8552      0.00504
      7       8.1214      0.00000
      8      10.0367      0.00000
      9      10.6856      0.00000
     10      12.0011      0.00000
     11      12.8521      0.00000
     12      13.3114      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0473      2.00000
      2       0.9253      2.00000
      3       1.4712      2.00000
      4       3.5920      2.00000
      5       5.0834      1.99998
      6       6.9429      0.00210
      7       7.5425      0.00001
      8       9.8507      0.00000
      9      10.6228      0.00000
     10      12.2745      0.00000
     11      12.9036      0.00000
     12      14.0822      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6296      2.00000
      2       0.5199      2.00000
      3       1.5498      2.00000
      4       3.1515      2.00000
      5       5.4244      1.99952
      6       6.6078      0.05819
      7       7.5369      0.00001
      8       9.4975      0.00000
      9      10.9351      0.00000
     10      11.9937      0.00000
     11      12.9248      0.00000
     12      14.5635      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9150      2.00000
      2      -0.4320      2.00000
      3       4.1752      2.00000
      4       5.4082      1.99959
      5       6.1332      1.55061
      6       7.2519      0.00010
      7       7.7985      0.00000
      8       8.9606      0.00000
      9       9.8252      0.00000
     10      11.9787      0.00000
     11      11.9856      0.00000
     12      13.3906      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8625      2.00000
      2      -0.3884      2.00000
      3       4.2225      2.00000
      4       5.2820      1.99988
      5       5.5679      1.99797
      6       6.8105      0.00787
      7       8.5634      0.00000
      8       9.4154      0.00000
      9       9.9440      0.00000
     10      11.2828      0.00000
     11      11.9813      0.00000
     12      13.0423      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.7054      2.00000
      2      -0.2592      2.00000
      3       4.3544      2.00000
      4       4.3642      2.00000
      5       5.2038      1.99995
      6       6.2956      0.80950
      7       9.8271      0.00000
      8       9.8775      0.00000
      9      10.2673      0.00000
     10      10.5672      0.00000
     11      11.5979      0.00000
     12      12.9180      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4449      2.00000
      2      -0.0499      2.00000
      3       3.3373      2.00000
      4       4.4066      2.00000
      5       4.7660      2.00000
      6       6.2278      1.14529
      7       9.2519      0.00000
      8      10.1290      0.00000
      9      10.8113      0.00000
     10      11.1147      0.00000
     11      11.5812      0.00000
     12      13.5055      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0843      2.00000
      2       0.2256      2.00000
      3       2.3872      2.00000
      4       3.7801      2.00000
      5       5.0066      1.99999
      6       6.3917      0.41302
      7       8.3389      0.00000
      8      10.0628      0.00000
      9      10.5352      0.00000
     10      11.6815      0.00000
     11      13.0129      0.00000
     12      13.6618      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6334      2.00000
      2       0.5296      2.00000
      3       1.5420      2.00000
      4       3.1536      2.00000
      5       5.4215      1.99953
      6       6.6156      0.05395
      7       7.5309      0.00001
      8       9.4990      0.00000
      9      10.9323      0.00000
     10      11.9994      0.00000
     11      12.9230      0.00000
     12      14.5620      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1501      2.00000
      2       0.7144      2.00000
      3       0.9157      2.00000
      4       2.7449      2.00000
      5       5.8648      1.96121
      6       6.7436      0.01530
      7       6.9385      0.00219
      8       9.1458      0.00000
      9      11.3759      0.00000
     10      12.1290      0.00000
     11      12.3537      0.00000
     12      14.6350      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4152      2.00000
      2       1.0769      2.00000
      3       2.4648      2.00000
      4       5.5418      1.99843
      5       5.7125      1.99140
      6       7.5450      0.00001
      7       8.9166      0.00000
      8      10.0083      0.00000
      9      10.2097      0.00000
     10      11.0956      0.00000
     11      11.4301      0.00000
     12      12.6250      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3649      2.00000
      2       1.1244      2.00000
      3       2.5028      2.00000
      4       4.8519      2.00000
      5       5.9062      1.94188
      6       8.0963      0.00000
      7       8.3572      0.00000
      8       9.6022      0.00000
      9      10.3410      0.00000
     10      11.5366      0.00000
     11      11.7877      0.00000
     12      12.8236      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       1.2646      2.00000
      3       2.6034      2.00000
      4       3.8881      2.00000
      5       6.0121      1.84107
      6       7.3218      0.00005
      7       8.6494      0.00000
      8       9.4193      0.00000
      9      10.6266      0.00000
     10      11.8636      0.00000
     11      12.3496      0.00000
     12      12.6931      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9667      2.00000
      2       1.4835      2.00000
      3       2.5848      2.00000
      4       3.1502      2.00000
      5       5.9577      1.90458
      6       6.5474      0.10394
      7       7.8193      0.00000
      8      10.6611      0.00000
      9      10.8592      0.00000
     10      11.3768      0.00000
     11      12.5357      0.00000
     12      13.5749      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6274      2.00000
      2       1.6047      2.00000
      3       2.0817      2.00000
      4       3.2249      2.00000
      5       5.3128      1.99984
      6       6.3070      0.75539
      7       7.2565      0.00009
      8      10.3493      0.00000
      9      11.2263      0.00000
     10      12.2120      0.00000
     11      13.0066      0.00000
     12      13.9520      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2158      2.00000
      2       1.0081      2.00000
      3       2.2982      2.00000
      4       3.5054      2.00000
      5       4.5852      2.00000
      6       5.9175      1.93513
      7       7.2085      0.00015
      8       9.7519      0.00000
      9      11.6121      0.00000
     10      12.7683      0.00000
     11      13.6210      0.00000
     12      14.2417      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8199      2.00000
      2       0.4427      2.00000
      3       2.6402      2.00000
      4       3.7129      2.00000
      5       4.0823      2.00000
      6       5.5485      1.99833
      7       7.3412      0.00004
      8       9.3727      0.00000
      9      11.9745      0.00000
     10      12.8728      0.00000
     11      13.2997      0.00000
     12      14.9039      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0188      2.00000
      2       0.3235      2.00000
      3       2.8079      2.00000
      4       5.0259      1.99999
      5       5.9554      1.90665
      6       7.8120      0.00000
      7       8.1109      0.00000
      8       9.7726      0.00000
      9      10.5915      0.00000
     10      11.1172      0.00000
     11      12.1662      0.00000
     12      12.9294      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9678      2.00000
      2       0.3696      2.00000
      3       2.8513      2.00000
      4       4.9226      2.00000
      5       5.4879      1.99909
      6       7.5349      0.00001
      7       8.5262      0.00000
      8       9.9314      0.00000
      9      10.3445      0.00000
     10      11.2551      0.00000
     11      12.3497      0.00000
     12      12.8037      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8153      2.00000
      2       0.5065      2.00000
      3       2.9750      2.00000
      4       4.1963      2.00000
      5       5.2635      1.99990
      6       6.6705      0.03153
      7       8.9719      0.00000
      8       9.7775      0.00000
      9      10.8959      0.00000
     10      11.3901      0.00000
     11      12.0393      0.00000
     12      13.5570      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5635      2.00000
      2       0.7281      2.00000
      3       3.0392      2.00000
      4       3.3893      2.00000
      5       5.1101      1.99998
      6       6.0303      1.81226
      7       8.0337      0.00000
      8      10.4526      0.00000
      9      11.0941      0.00000
     10      11.5088      0.00000
     11      12.9398      0.00000
     12      13.9124      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2175      2.00000
      2       1.0130      2.00000
      3       2.2938      2.00000
      4       3.5042      2.00000
      5       4.5867      2.00000
      6       5.9208      1.93304
      7       7.2060      0.00015
      8       9.7534      0.00000
      9      11.6105      0.00000
     10      12.7736      0.00000
     11      13.6248      0.00000
     12      14.2308      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7934      2.00000
      2       1.1858      2.00000
      3       1.6800      2.00000
      4       3.5578      2.00000
      5       4.2300      2.00000
      6       5.9066      1.94165
      7       6.6374      0.04361
      8       9.1751      0.00000
      9      12.0146      0.00000
     10      13.6266      0.00000
     11      14.1882      0.00000
     12      14.3717      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3710      2.00000
      2       0.7619      2.00000
      3       1.7998      2.00000
      4       3.2325      2.00000
      5       4.4086      2.00000
      6       5.6372      1.99595
      7       6.5301      0.12237
      8       8.8332      0.00000
      9      12.3944      0.00000
     10      13.3715      0.00000
     11      14.3185      0.00000
     12      14.8286      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6543      2.00000
      2      -0.2277      2.00000
      3       3.1390      2.00000
      4       4.5184      2.00000
      5       6.3740      0.47379
      6       7.4938      0.00001
      7       8.0589      0.00000
      8       9.4718      0.00000
      9      10.9498      0.00000
     10      11.2453      0.00000
     11      12.3700      0.00000
     12      12.4832      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6019      2.00000
      2      -0.1830      2.00000
      3       3.1882      2.00000
      4       4.5188      2.00000
      5       5.7189      1.99084
      6       7.0080      0.00110
      7       8.8242      0.00000
      8      10.0013      0.00000
      9      10.3122      0.00000
     10      11.2876      0.00000
     11      11.8133      0.00000
     12      13.0914      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4451      2.00000
      2      -0.0501      2.00000
      3       3.3341      2.00000
      4       4.4069      2.00000
      5       4.7679      2.00000
      6       6.2299      1.13498
      7       9.2525      0.00000
      8      10.1362      0.00000
      9      10.8139      0.00000
     10      11.1124      0.00000
     11      11.5759      0.00000
     12      13.5018      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1852      2.00000
      2       0.1656      2.00000
      3       3.5517      2.00000
      4       3.5847      2.00000
      5       4.3999      2.00000
      6       5.6780      1.99391
      7       8.2559      0.00000
      8      10.0689      0.00000
      9      11.5933      0.00000
     10      11.6301      0.00000
     11      12.2990      0.00000
     12      14.0121      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8252      2.00000
      2       0.4515      2.00000
      3       2.6328      2.00000
      4       3.7121      2.00000
      5       4.0846      2.00000
      6       5.5542      1.99823
      7       7.3370      0.00004
      8       9.3755      0.00000
      9      11.9701      0.00000
     10      12.8748      0.00000
     11      13.3106      0.00000
     12      14.9081      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3749      2.00000
      2       0.7719      2.00000
      3       1.7915      2.00000
      4       3.2346      2.00000
      5       4.4065      2.00000
      6       5.6435      1.99568
      7       6.5254      0.12795
      8       8.8344      0.00000
      9      12.3913      0.00000
     10      13.3771      0.00000
     11      14.3250      0.00000
     12      14.8185      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1084      2.00000
      2       0.9752      2.00000
      3       1.1678      2.00000
      4       2.8348      2.00000
      5       4.8416      2.00000
      6       5.7051      1.99202
      7       5.9241      1.93085
      8       8.5259      0.00000
      9      12.8363      0.00000
     10      13.5704      0.00000
     11      13.7827      0.00000
     12      15.8094      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6740      2.00000
      2       0.5830      2.00000
      3       1.9104      2.00000
      4       4.2083      2.00000
      5       6.2895      0.83901
      6       8.1275      0.00000
      7       8.4351      0.00000
      8       9.6652      0.00000
      9      10.1370      0.00000
     10      11.5175      0.00000
     11      11.9952      0.00000
     12      12.4913      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6229      2.00000
      2       0.6317      2.00000
      3       1.9549      2.00000
      4       4.2156      2.00000
      5       5.6999      1.99242
      6       7.8271      0.00000
      7       8.8249      0.00000
      8       9.0854      0.00000
      9      10.8254      0.00000
     10      11.4693      0.00000
     11      12.1841      0.00000
     12      12.6102      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4702      2.00000
      2       0.7764      2.00000
      3       2.0862      2.00000
      4       4.1390      2.00000
      5       4.8444      2.00000
      6       6.8578      0.00491
      7       8.1228      0.00000
      8      10.0429      0.00000
      9      10.6876      0.00000
     10      12.0033      0.00000
     11      12.8467      0.00000
     12      13.3153      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2178      2.00000
      2       1.0126      2.00000
      3       2.2919      2.00000
      4       3.5062      2.00000
      5       4.5859      2.00000
      6       5.9225      1.93195
      7       7.2067      0.00015
      8       9.7541      0.00000
      9      11.6177      0.00000
     10      12.7674      0.00000
     11      13.6278      0.00000
     12      14.2314      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8705      2.00000
      2       1.3245      2.00000
      3       2.4200      2.00000
      4       2.8119      2.00000
      5       4.5042      2.00000
      6       5.2017      1.99995
      7       6.4037      0.37504
      8       9.0758      0.00000
      9      12.9861      0.00000
     10      13.3071      0.00000
     11      14.6498      0.00000
     12      14.6626      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4433      2.00000
      2       1.5482      2.00000
      3       1.9402      2.00000
      4       2.9847      2.00000
      5       4.0297      2.00000
      6       4.9516      2.00000
      7       5.8227      1.97435
      8       8.5488      0.00000
      9      13.5318      0.00000
     10      14.5106      0.00000
     11      15.1253      0.00000
     12      15.2163      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0125      2.00000
      2       1.0906      2.00000
      3       2.1429      2.00000
      4       3.2178      2.00000
      5       3.5656      2.00000
      6       4.7717      2.00000
      7       5.6044      1.99708
      8       8.2520      0.00000
      9      13.9349      0.00000
     10      14.7562      0.00000
     11      15.1508      0.00000
     12      15.7622      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2935      2.00000
      2       0.0398      2.00000
      3       2.1851      2.00000
      4       3.7227      2.00000
      5       6.7075      0.02187
      6       7.8234      0.00000
      7       8.4116      0.00000
      8       9.7731      0.00000
      9      10.0241      0.00000
     10      11.4287      0.00000
     11      11.6706      0.00000
     12      12.7821      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2412      2.00000
      2       0.0864      2.00000
      3       2.2352      2.00000
      4       3.7402      2.00000
      5       6.0496      1.77674
      6       7.2903      0.00007
      7       9.1599      0.00000
      8       9.3725      0.00000
      9      10.3156      0.00000
     10      11.0919      0.00000
     11      12.4057      0.00000
     12      12.8509      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0848      2.00000
      2       0.2250      2.00000
      3       2.3847      2.00000
      4       3.7788      2.00000
      5       5.0099      1.99999
      6       6.3941      0.40499
      7       8.3402      0.00000
      8      10.0649      0.00000
      9      10.5418      0.00000
     10      11.6858      0.00000
     11      13.0039      0.00000
     12      13.6665      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8254      2.00000
      2       0.4512      2.00000
      3       2.6305      2.00000
      4       3.7125      2.00000
      5       4.0861      2.00000
      6       5.5555      1.99821
      7       7.3376      0.00004
      8       9.3762      0.00000
      9      11.9780      0.00000
     10      12.8766      0.00000
     11      13.3040      0.00000
     12      14.9037      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4662      2.00000
      2       0.7538      2.00000
      3       2.9344      2.00000
      4       2.9900      2.00000
      5       3.7907      2.00000
      6       4.9696      1.99999
      7       6.4149      0.34207
      8       8.7370      0.00000
      9      13.4548      0.00000
     10      13.5722      0.00000
     11      14.1570      0.00000
     12      15.4872      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0166      2.00000
      2       1.1010      2.00000
      3       2.1339      2.00000
      4       3.2166      2.00000
      5       3.5683      2.00000
      6       4.7760      2.00000
      7       5.6010      1.99717
      8       8.2529      0.00000
      9      13.9313      0.00000
     10      14.7588      0.00000
     11      15.1677      0.00000
     12      15.7454      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4672      2.00000
      2       1.3380      2.00000
      3       1.5143      2.00000
      4       2.9365      2.00000
      5       3.9006      2.00000
      6       4.7484      2.00000
      7       4.9908      1.99999
      8       7.9866      0.00000
      9      14.3746      0.00000
     10      15.0518      0.00000
     11      15.2665      0.00000
     12      16.4013      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8423      2.00000
      2       0.3315      2.00000
      3       1.3382      2.00000
      4       3.0707      2.00000
      5       7.1230      0.00035
      6       8.2170      0.00000
      7       8.8494      0.00000
      8       9.2144      0.00000
      9       9.9541      0.00000
     10      10.6249      0.00000
     11      10.9007      0.00000
     12      13.4458      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7902      2.00000
      2       0.3810      2.00000
      3       1.3888      2.00000
      4       3.0924      2.00000
      5       6.4686      0.21515
      6       7.6113      0.00000
      7       8.5595      0.00000
      8       9.5835      0.00000
      9      10.1507      0.00000
     10      10.8002      0.00000
     11      11.6522      0.00000
     12      13.8633      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6342      2.00000
      2       0.5285      2.00000
      3       1.5400      2.00000
      4       3.1529      2.00000
      5       5.4245      1.99952
      6       6.6180      0.05272
      7       7.5328      0.00001
      8       9.5010      0.00000
      9      10.9391      0.00000
     10      12.0050      0.00000
     11      12.9285      0.00000
     12      14.5529      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3755      2.00000
      2       0.7711      2.00000
      3       1.7898      2.00000
      4       3.2341      2.00000
      5       4.4089      2.00000
      6       5.6451      1.99561
      7       6.5266      0.12650
      8       8.8356      0.00000
      9      12.3989      0.00000
     10      13.3831      0.00000
     11      14.3311      0.00000
     12      14.8090      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0170      2.00000
      2       1.1005      2.00000
      3       2.1325      2.00000
      4       3.2171      2.00000
      5       3.5693      2.00000
      6       4.7769      2.00000
      7       5.6016      1.99716
      8       8.2534      0.00000
      9      13.9397      0.00000
     10      14.7631      0.00000
     11      15.1597      0.00000
     12      15.7515      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4323      2.00000
      2       1.4926      2.00000
      3       2.5175      2.00000
      4       2.5872      2.00000
      5       3.3827      2.00000
      6       4.1220      2.00000
      7       4.7873      2.00000
      8       7.8217      0.00000
      9      15.3941      0.00000
     10      15.6055      0.00000
     11      16.0023      0.00000
     12      16.8458      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9184      2.00000
      2       1.7969      2.00000
      3       1.9384      2.00000
      4       2.9358      2.00000
      5       3.1587      2.00000
      6       3.8902      2.00000
      7       4.1648      2.00000
      8       7.5894      0.00000
      9      15.9242      0.00000
     10      16.4619      0.00000
     11      16.7037      0.00000
     12      16.8326      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.263  -0.000   0.000  -0.000
  5.263  22.370  -0.000   0.000  -0.000
 -0.000  -0.000  -0.285  -0.000   0.000
  0.000   0.000  -0.000  -0.285  -0.000
 -0.000  -0.000   0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.074  -0.022   0.000  -0.001   0.000
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.093   0.000   0.000
 -0.001   0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1733: real time    0.1733
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3415: real time    0.3415
    STRESS:  cpu time    4.1305: real time    4.1307
    FORCOR:  cpu time    0.0477: real time    0.0477
    FORHAR:  cpu time    0.0127: real time    0.0127
    MIXING:  cpu time    0.0055: real time    0.0055
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.28471   -72.29467   -72.44174     0.00000    -0.00000    -0.00000
  Hartree     1.15486     1.15116     1.11094    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42545   -27.42529   -27.42381    -0.00000    -0.00000     0.00000
  Local      -4.09415    -4.08335    -3.88031     0.00000     0.00000     0.00000
  n-local    58.93197    58.93065    58.91162     0.25672     0.02344     0.18943
  augment    -3.03552    -3.03531    -3.03404     0.00000    -0.00000     0.00000
  Kinetic    46.89822    46.88860    46.89623    -3.61245    -0.58090    -2.94446
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03198     0.01856     0.02566     0.00000     0.00000     0.00000
  in kB       0.78501     0.45564     0.62989     0.00000     0.00000     0.00000
  external pressure =        0.62 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.507E-16 -.236E-15 0.137E+00   0.207E-16 -.821E-15 -.148E+00   0.200E-20 0.755E-21 0.178E-01   0.243E-07 0.155E-03 0.191E-04
   -.329E-14 -.339E-13 0.196E+01   0.172E-15 0.193E-14 -.154E+01   0.306E-18 -.556E-19 -.648E+00   -.189E-06 -.110E-02 0.232E-03
   -.315E-14 -.103E-13 -.104E+01   0.180E-16 -.247E-14 0.845E+00   0.875E-20 -.139E-20 0.306E+00   -.187E-06 0.120E-02 -.688E-04
   0.927E-15 -.377E-14 -.104E+01   -.351E-15 0.130E-14 0.846E+00   0.332E-20 -.276E-20 0.307E+00   0.193E-06 -.120E-02 -.601E-04
 -----------------------------------------------------------------------------------------------
   -.547E-14 -.482E-13 0.173E-01   -.139E-15 -.670E-16 -.222E-15   0.320E-18 -.590E-19 -.174E-01   -.159E-06 -.952E-03 0.122E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000      0.006416
      2.01274      2.01342      0.05000        -0.000000      0.000000     -0.232004
      2.01274      0.00000      2.01342        -0.000000      0.000000      0.112645
      0.00000      2.01342      2.01342         0.000000     -0.000000      0.112943
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000952     -0.000042


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54790264 eV

  energy  without entropy=      -13.50786654  energy(sigma->0) =      -13.52788459
 
 d Force =-0.8448802E-03[-0.116E-01, 0.991E-02]  d Energy =-0.8477529E-03 0.287E-05
 d Force =-0.2150765E-01[-0.772E-01, 0.341E-01]  d Ewald  =-0.2151659E-01 0.893E-05


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0552: real time    0.0552


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:  11/ 13
  Displacement:        1/  2
  Total:              21/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
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  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
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  0.000000  0.230769  0.000000      2.000000
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  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
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  0.230769  0.307692  0.000000      4.000000
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  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
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  0.307692  0.384615  0.000000      4.000000
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  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
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  0.230769  0.461538  0.000000      4.000000
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  0.307692  0.461538  0.000000      4.000000
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  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
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  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
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  0.000000  0.153846  0.076923      4.000000
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  0.000000  0.230769  0.076923      4.000000
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  0.153846  0.230769  0.076923      8.000000
  0.153846  0.076923 -0.230769      8.000000
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  0.384615  0.230769  0.076923      8.000000
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  0.461538  0.076923 -0.230769      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.000000  0.076923 -0.307692      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.076923  0.076923 -0.307692      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.153846  0.076923 -0.307692      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.230769  0.076923 -0.307692      8.000000
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  0.384615  0.307692  0.076923      8.000000
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  0.461538  0.076923 -0.307692      8.000000
  0.000000  0.384615  0.076923      4.000000
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    WAVPRE:  cpu time    0.3946: real time    0.4395
    FEWALD:  cpu time    0.0032: real time    0.0032
    GENKIN:  cpu time    0.0694: real time    0.0694
    ORTHCH:  cpu time    2.2311: real time    2.2312
     LOOP+:  cpu time  153.2608: real time  153.3739


--------------------------------------- Iteration     23(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0485: real time    0.0493
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time   21.9918: real time   22.0041
       DOS:  cpu time    0.0152: real time    0.0152
    CHARGE:  cpu time    0.1724: real time    0.1725
    MIXING:  cpu time    0.0036: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time   22.2350: real time   22.2481

 eigenvalue-minimisations  :  8280
 total energy-change (2. order) :-0.1472528E-02  (-0.9180214E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060931 magnetization 

 Broyden mixing:
  rms(total) = 0.26333E-01    rms(broyden)= 0.26332E-01
  rms(prec ) = 0.86930E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.40688967
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80123427
  PAW double counting   =       429.10542061     -327.75858778
  entropy T*S    EENTRO =        -0.04000545
  eigenvalues    EBANDS =        22.57071534
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54937478 eV

  energy without entropy =      -13.50936933  energy(sigma->0) =      -13.52937205


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0515: real time    0.0517
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   23.7535: real time   23.7604
       DOS:  cpu time    0.0157: real time    0.0157
    CHARGE:  cpu time    0.1749: real time    0.1750
    MIXING:  cpu time    0.0041: real time    0.0041
    --------------------------------------------
      LOOP:  cpu time   24.0033: real time   24.0105

 eigenvalue-minimisations  : 10040
 total energy-change (2. order) : 0.9486549E-03  (-0.3247974E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060472 magnetization 

 Broyden mixing:
  rms(total) = 0.14291E-01    rms(broyden)= 0.14291E-01
  rms(prec ) = 0.38995E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9252
  0.9252

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41257002
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80095650
  PAW double counting   =       429.32910753     -327.98229417
  entropy T*S    EENTRO =        -0.04002373
  eigenvalues    EBANDS =        22.57710431
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54842612 eV

  energy without entropy =      -13.50840240  energy(sigma->0) =      -13.52841426


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0490: real time    0.0493
    SETDIJ:  cpu time    0.0040: real time    0.0040
     EDDAV:  cpu time   23.9494: real time   23.9615
       DOS:  cpu time    0.0161: real time    0.0161
    CHARGE:  cpu time    0.1747: real time    0.1747
    MIXING:  cpu time    0.0048: real time    0.0048
    --------------------------------------------
      LOOP:  cpu time   24.1981: real time   24.2106

 eigenvalue-minimisations  :  9824
 total energy-change (2. order) : 0.5656939E-03  (-0.3609447E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060346 magnetization 

 Broyden mixing:
  rms(total) = 0.58234E-02    rms(broyden)= 0.58234E-02
  rms(prec ) = 0.96150E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5283
  1.1874  1.8692

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41709425
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80065455
  PAW double counting   =       428.56288067     -327.21608611
  entropy T*S    EENTRO =        -0.04003645
  eigenvalues    EBANDS =        22.58192381
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54786043 eV

  energy without entropy =      -13.50782398  energy(sigma->0) =      -13.52784220


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0473: real time    0.0477
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   23.5133: real time   23.5235
       DOS:  cpu time    0.0142: real time    0.0142
    CHARGE:  cpu time    0.1738: real time    0.1739
    MIXING:  cpu time    0.0047: real time    0.0047
    --------------------------------------------
      LOOP:  cpu time   23.7570: real time   23.7676

 eigenvalue-minimisations  : 10160
 total energy-change (2. order) :-0.3616743E-04  (-0.2730107E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060176 magnetization 

 Broyden mixing:
  rms(total) = 0.28599E-02    rms(broyden)= 0.28599E-02
  rms(prec ) = 0.48915E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6503
  1.0241  1.5066  2.4200

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41678684
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80067774
  PAW double counting   =       428.55915121     -327.21233035
  entropy T*S    EENTRO =        -0.04003590
  eigenvalues    EBANDS =        22.58157657
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54789660 eV

  energy without entropy =      -13.50786070  energy(sigma->0) =      -13.52787865


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0496: real time    0.0499
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   24.5945: real time   24.6033
       DOS:  cpu time    0.0158: real time    0.0158
    --------------------------------------------
      LOOP:  cpu time   24.6632: real time   24.6723

 eigenvalue-minimisations  : 10060
 total energy-change (2. order) :-0.5814776E-05  (-0.6506927E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060176 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02103097
  -Hartree energ DENC   =        -3.41690415
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80064956
  PAW double counting   =       428.90394933     -327.55711624
  entropy T*S    EENTRO =        -0.04003609
  eigenvalues    EBANDS =        22.58164783
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54790241 eV

  energy without entropy =      -13.50786633  energy(sigma->0) =      -13.52788437


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2476       2 -74.2385       3 -74.2396       4 -74.2392
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5662     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6261      2.00000
      2       4.3261      2.00000
      3       4.3305      2.00000
      4       4.3309      2.00000
      5       5.5486      1.99833
      6       5.5531      1.99825
      7       7.5963      0.00000
      8      12.5009      0.00000
      9      12.5022      0.00000
     10      12.5098      0.00000
     11      12.8103      0.00000
     12      12.8182      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5767      2.00000
      2       3.6431      2.00000
      3       4.3751      2.00000
      4       4.3797      2.00000
      5       5.6016      1.99716
      6       6.1560      1.46609
      7       7.7974      0.00000
      8      11.5729      0.00000
      9      11.5752      0.00000
     10      12.1733      0.00000
     11      12.8599      0.00000
     12      12.9866      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4295      2.00000
      2       2.6142      2.00000
      3       4.5219      2.00000
      4       4.5265      2.00000
      5       5.7600      1.98622
      6       6.7571      0.01338
      7       8.5717      0.00000
      8      10.4559      0.00000
      9      10.4600      0.00000
     10      11.4079      0.00000
     11      12.8105      0.00000
     12      13.0036      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1877      2.00000
      2       1.6205      2.00000
      3       4.7652      2.00000
      4       4.7699      2.00000
      5       6.0228      1.82465
      6       7.0399      0.00080
      7       9.4195      0.00000
      8       9.4243      0.00000
      9       9.8438      0.00000
     10      10.5270      0.00000
     11      12.3276      0.00000
     12      13.2370      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8595      2.00000
      2       0.7161      2.00000
      3       5.1013      1.99998
      4       5.1061      1.99998
      5       6.3883      0.42409
      6       7.2139      0.00014
      7       8.4846      0.00000
      8       8.4900      0.00000
      9       9.6538      0.00000
     10      11.2350      0.00000
     11      12.0099      0.00000
     12      13.5461      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4698      2.00000
      2      -0.0616      2.00000
      3       5.5178      1.99877
      4       5.5228      1.99871
      5       6.8526      0.00517
      6       7.3376      0.00004
      7       7.6678      0.00000
      8       7.6763      0.00000
      9       8.8361      0.00000
     10      11.4243      0.00000
     11      13.1366      0.00000
     12      13.8931      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1185      2.00000
      2      -0.6078      2.00000
      3       5.9430      1.91711
      4       5.9487      1.91244
      5       7.0377      0.00081
      6       7.0421      0.00078
      7       7.4125      0.00002
      8       7.4147      0.00002
      9       8.1026      0.00000
     10      11.2706      0.00000
     11      14.1690      0.00000
     12      14.5256      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5767      2.00000
      2       3.6388      2.00000
      3       4.3797      2.00000
      4       4.3799      2.00000
      5       5.6053      1.99705
      6       6.1532      1.47701
      7       7.7959      0.00000
      8      11.5711      0.00000
      9      11.5729      0.00000
     10      12.1724      0.00000
     11      12.8637      0.00000
     12      12.9910      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5634      2.00000
      3       3.8373      2.00000
      4       4.4292      2.00000
      5       5.9318      1.92554
      6       6.5056      0.15383
      7       7.9495      0.00000
      8      10.8365      0.00000
      9      11.4718      0.00000
     10      11.8641      0.00000
     11      12.3629      0.00000
     12      12.8467      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3801      2.00000
      2       2.6467      2.00000
      3       3.8786      2.00000
      4       4.5760      2.00000
      5       6.1423      1.51809
      6       7.1312      0.00032
      7       8.6206      0.00000
      8       9.8277      0.00000
      9      10.5012      0.00000
     10      11.7796      0.00000
     11      11.8587      0.00000
     12      12.8758      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1380      2.00000
      2       1.6617      2.00000
      3       4.1131      2.00000
      4       4.8193      2.00000
      5       6.3861      0.43148
      6       7.4330      0.00002
      7       8.8226      0.00000
      8       9.4715      0.00000
      9       9.9042      0.00000
     10      10.9716      0.00000
     11      12.0679      0.00000
     12      12.5043      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8094      2.00000
      2       0.7596      2.00000
      3       4.4423      2.00000
      4       5.1555      1.99997
      5       6.6745      0.03032
      6       7.5826      0.00000
      7       8.0323      0.00000
      8       8.5384      0.00000
      9      10.1184      0.00000
     10      11.3466      0.00000
     11      12.1128      0.00000
     12      12.3862      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8467      2.00000
      4       5.5722      1.99788
      5       6.7479      0.01467
      6       7.4424      0.00001
      7       7.7232      0.00000
      8       7.8852      0.00000
      9       9.3432      0.00000
     10      11.6153      0.00000
     11      12.7666      0.00000
     12      13.0906      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -0.5651      2.00000
      3       5.2475      1.99992
      4       5.9981      1.86043
      5       6.3345      0.63102
      6       7.0916      0.00047
      7       7.6115      0.00000
      8       8.1165      0.00000
      9       8.6729      0.00000
     10      11.4421      0.00000
     11      13.1125      0.00000
     12      14.1369      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4297      2.00000
      2       2.6105      2.00000
      3       4.5264      2.00000
      4       4.5266      2.00000
      5       5.7636      1.98572
      6       6.7572      0.01336
      7       8.5663      0.00000
      8      10.4563      0.00000
      9      10.4566      0.00000
     10      11.4075      0.00000
     11      12.8102      0.00000
     12      13.0072      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3802      2.00000
      2       2.6432      2.00000
      3       3.8827      2.00000
      4       4.5759      2.00000
      5       6.1439      1.51236
      6       7.1333      0.00031
      7       8.6158      0.00000
      8       9.8281      0.00000
      9      10.4977      0.00000
     10      11.7793      0.00000
     11      11.8617      0.00000
     12      12.8798      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2326      2.00000
      2       2.5811      2.00000
      3       3.0699      2.00000
      4       4.7226      2.00000
      5       6.4051      0.37083
      6       8.0478      0.00000
      7       8.6529      0.00000
      8       9.1551      0.00000
      9      10.4947      0.00000
     10      10.8503      0.00000
     11      11.8478      0.00000
     12      12.6305      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9898      2.00000
      2       1.7715      2.00000
      3       3.1245      2.00000
      4       4.9658      2.00000
      5       6.5633      0.08938
      6       7.9153      0.00000
      7       8.5927      0.00000
      8       9.6081      0.00000
      9      10.0312      0.00000
     10      10.9299      0.00000
     11      11.3362      0.00000
     12      12.6348      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6598      2.00000
      2       0.8866      2.00000
      3       3.4277      2.00000
      4       5.3019      1.99986
      5       6.4547      0.24331
      6       7.4634      0.00001
      7       8.6815      0.00000
      8       8.8172      0.00000
      9      10.6498      0.00000
     10      11.2475      0.00000
     11      11.4988      0.00000
     12      12.5250      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1119      2.00000
      3       3.8121      2.00000
      4       5.7182      1.99091
      5       5.9124      1.93826
      6       7.5697      0.00000
      7       7.8709      0.00000
      8       8.9537      0.00000
      9      10.1164      0.00000
     10      11.6319      0.00000
     11      12.2063      0.00000
     12      12.8457      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9086      2.00000
      2      -0.4387      2.00000
      3       4.1811      2.00000
      4       5.4020      1.99961
      5       6.1434      1.51415
      6       7.2384      0.00011
      7       7.7940      0.00000
      8       8.9609      0.00000
      9       9.8231      0.00000
     10      11.9760      0.00000
     11      11.9963      0.00000
     12      13.3876      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1881      2.00000
      2       1.6175      2.00000
      3       4.7695      2.00000
      4       4.7697      2.00000
      5       6.0263      1.81903
      6       7.0413      0.00079
      7       9.4210      0.00000
      8       9.4212      0.00000
      9       9.8361      0.00000
     10      10.5274      0.00000
     11      12.3280      0.00000
     12      13.2404      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1384      2.00000
      2       1.6587      2.00000
      3       4.1171      2.00000
      4       4.8190      2.00000
      5       6.3876      0.42662
      6       7.4368      0.00002
      7       8.8234      0.00000
      8       9.4685      0.00000
      9       9.8968      0.00000
     10      10.9714      0.00000
     11      12.0720      0.00000
     12      12.5063      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9900      2.00000
      2       1.7689      2.00000
      3       3.1277      2.00000
      4       4.9656      2.00000
      5       6.5634      0.08924
      6       7.9165      0.00000
      7       8.5971      0.00000
      8       9.6053      0.00000
      9      10.0245      0.00000
     10      10.9332      0.00000
     11      11.3354      0.00000
     12      12.6378      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7459      2.00000
      2       1.7600      2.00000
      3       2.3745      2.00000
      4       5.2086      1.99994
      5       6.3559      0.54234
      6       7.4589      0.00001
      7       9.7050      0.00000
      8       9.7421      0.00000
      9      10.0265      0.00000
     10      10.3526      0.00000
     11      11.2972      0.00000
     12      12.4431      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4134      2.00000
      2       1.0753      2.00000
      3       2.4660      2.00000
      4       5.5443      1.99840
      5       5.7108      1.99155
      6       7.5367      0.00001
      7       8.9150      0.00000
      8      10.0087      0.00000
      9      10.2109      0.00000
     10      11.0963      0.00000
     11      11.4329      0.00000
     12      12.6244      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0153      2.00000
      2       0.3198      2.00000
      3       2.8107      2.00000
      4       5.0229      1.99999
      5       5.9602      1.90226
      6       7.7996      0.00000
      7       8.1105      0.00000
      8       9.7705      0.00000
      9      10.5930      0.00000
     10      11.1202      0.00000
     11      12.1629      0.00000
     12      12.9225      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6478      2.00000
      2      -0.2345      2.00000
      3       3.1443      2.00000
      4       4.5128      2.00000
      5       6.3845      0.43695
      6       7.4800      0.00001
      7       8.0541      0.00000
      8       9.4684      0.00000
      9      10.9496      0.00000
     10      11.2559      0.00000
     11      12.3582      0.00000
     12      12.4818      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8602      2.00000
      2       0.7137      2.00000
      3       5.1055      1.99998
      4       5.1055      1.99998
      5       6.3915      0.41347
      6       7.2155      0.00014
      7       8.4867      0.00000
      8       8.4876      0.00000
      9       9.6548      0.00000
     10      11.2276      0.00000
     11      12.0092      0.00000
     12      13.5491      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8100      2.00000
      2       0.7573      2.00000
      3       4.4461      2.00000
      4       5.1550      1.99997
      5       6.6753      0.03006
      6       7.5872      0.00000
      7       8.0334      0.00000
      8       8.5360      0.00000
      9      10.1190      0.00000
     10      11.3388      0.00000
     11      12.1140      0.00000
     12      12.3901      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6603      2.00000
      2       0.8844      2.00000
      3       3.4308      2.00000
      4       5.3014      1.99986
      5       6.4554      0.24185
      6       7.4639      0.00001
      7       8.6793      0.00000
      8       8.8223      0.00000
      9      10.6494      0.00000
     10      11.2505      0.00000
     11      11.4916      0.00000
     12      12.5287      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4137      2.00000
      2       1.0735      2.00000
      3       2.4683      2.00000
      4       5.5441      1.99840
      5       5.7114      1.99150
      6       7.5365      0.00001
      7       8.9130      0.00000
      8      10.0125      0.00000
      9      10.2133      0.00000
     10      11.0986      0.00000
     11      11.4281      0.00000
     12      12.6231      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0769      2.00000
      2       1.1346      2.00000
      3       1.7972      2.00000
      4       4.9114      2.00000
      5       5.8794      1.95522
      6       7.7930      0.00000
      7       9.1206      0.00000
      8       9.3997      0.00000
      9      10.4716      0.00000
     10      11.3183      0.00000
     11      11.9572      0.00000
     12      12.7263      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6705      2.00000
      2       0.5797      2.00000
      3       1.9128      2.00000
      4       4.2055      2.00000
      5       6.2947      0.81405
      6       8.1143      0.00000
      7       8.4345      0.00000
      8       9.6690      0.00000
      9      10.1334      0.00000
     10      11.5138      0.00000
     11      11.9891      0.00000
     12      12.4935      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0328      2.00000
      3       2.1897      2.00000
      4       3.7176      2.00000
      5       6.7186      0.01961
      6       7.8093      0.00000
      7       8.4061      0.00000
      8       9.7678      0.00000
      9      10.0320      0.00000
     10      11.4174      0.00000
     11      11.6686      0.00000
     12      12.7857      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4708      2.00000
      2      -0.0634      2.00000
      3       5.5216      1.99872
      4       5.5218      1.99872
      5       6.8555      0.00503
      6       7.3391      0.00004
      7       7.6705      0.00000
      8       7.6745      0.00000
      9       8.8377      0.00000
     10      11.4249      0.00000
     11      13.1271      0.00000
     12      13.8957      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4198      2.00000
      2      -0.0195      2.00000
      3       4.8502      2.00000
      4       5.5713      1.99790
      5       6.7493      0.01446
      6       7.4439      0.00001
      7       7.7215      0.00000
      8       7.8886      0.00000
      9       9.3452      0.00000
     10      11.6168      0.00000
     11      12.7700      0.00000
     12      13.0824      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2675      2.00000
      2       0.1103      2.00000
      3       3.8150      2.00000
      4       5.7174      1.99098
      5       5.9140      1.93728
      6       7.5692      0.00000
      7       7.8692      0.00000
      8       8.9576      0.00000
      9      10.1190      0.00000
     10      11.6347      0.00000
     11      12.2102      0.00000
     12      12.8421      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0160      2.00000
      2       0.3184      2.00000
      3       2.8128      2.00000
      4       5.0240      1.99999
      5       5.9596      1.90285
      6       7.7989      0.00000
      7       8.1090      0.00000
      8       9.7717      0.00000
      9      10.5951      0.00000
     10      11.1258      0.00000
     11      12.1640      0.00000
     12      12.9239      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6709      2.00000
      2       0.5787      2.00000
      3       1.9141      2.00000
      4       4.2060      2.00000
      5       6.2943      0.81582
      6       8.1139      0.00000
      7       8.4334      0.00000
      8       9.6703      0.00000
      9      10.1334      0.00000
     10      11.5148      0.00000
     11      11.9898      0.00000
     12      12.5005      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2494      2.00000
      2       0.7143      2.00000
      3       1.2940      2.00000
      4       3.5172      2.00000
      5       6.7095      0.02146
      6       8.4872      0.00000
      7       8.7277      0.00000
      8       8.9616      0.00000
      9      10.1856      0.00000
     10      11.0327      0.00000
     11      11.1927      0.00000
     12      13.5235      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8349      2.00000
      2       0.3247      2.00000
      3       1.3416      2.00000
      4       3.0663      2.00000
      5       7.1354      0.00031
      6       8.2025      0.00000
      7       8.8375      0.00000
      8       9.2271      0.00000
      9       9.9483      0.00000
     10      10.6148      0.00000
     11      10.8975      0.00000
     12      13.4440      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1200      2.00000
      2      -0.6089      2.00000
      3       5.9463      1.91440
      4       5.9472      1.91365
      5       7.0366      0.00082
      6       7.0455      0.00075
      7       7.4143      0.00002
      8       7.4167      0.00002
      9       8.1046      0.00000
     10      11.2720      0.00000
     11      14.1711      0.00000
     12      14.5275      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0674      2.00000
      2      -0.5662      2.00000
      3       5.2505      1.99991
      4       5.9966      1.86228
      5       6.3373      0.61909
      6       7.0905      0.00048
      7       7.6103      0.00000
      8       8.1204      0.00000
      9       8.6765      0.00000
     10      11.4442      0.00000
     11      13.1153      0.00000
     12      14.1390      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9100      2.00000
      2      -0.4397      2.00000
      3       4.1835      2.00000
      4       5.4043      1.99960
      5       6.1421      1.51903
      6       7.2374      0.00011
      7       7.7926      0.00000
      8       8.9629      0.00000
      9       9.8287      0.00000
     10      11.9792      0.00000
     11      11.9991      0.00000
     12      13.3963      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6490      2.00000
      2      -0.2353      2.00000
      3       3.1461      2.00000
      4       4.5145      2.00000
      5       6.3834      0.44092
      6       7.4792      0.00001
      7       8.0529      0.00000
      8       9.4692      0.00000
      9      10.9513      0.00000
     10      11.2626      0.00000
     11      12.3603      0.00000
     12      12.4840      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2876      2.00000
      2       0.0323      2.00000
      3       2.1909      2.00000
      4       3.7187      2.00000
      5       6.7177      0.01978
      6       7.8087      0.00000
      7       8.4051      0.00000
      8       9.7682      0.00000
      9      10.0329      0.00000
     10      11.4187      0.00000
     11      11.6696      0.00000
     12      12.7933      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8354      2.00000
      2       0.3245      2.00000
      3       1.3421      2.00000
      4       3.0667      2.00000
      5       7.1348      0.00031
      6       8.2023      0.00000
      7       8.8369      0.00000
      8       9.2274      0.00000
      9       9.9485      0.00000
     10      10.6155      0.00000
     11      10.8979      0.00000
     12      13.4449      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3502      2.00000
      2       0.5033      2.00000
      3       0.7046      2.00000
      4       2.6600      2.00000
      5       7.5729      0.00000
      6       8.5313      0.00000
      7       8.6093      0.00000
      8       9.3222      0.00000
      9      10.0090      0.00000
     10      10.0501      0.00000
     11      10.2849      0.00000
     12      13.3392      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5275      2.00000
      2       3.5627      2.00000
      3       3.8376      2.00000
      4       4.4289      2.00000
      5       5.9367      1.92195
      6       6.5028      0.15786
      7       7.9476      0.00000
      8      10.8363      0.00000
      9      11.4720      0.00000
     10      11.8636      0.00000
     11      12.3605      0.00000
     12      12.8500      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4781      2.00000
      2       3.6130      2.00000
      3       3.6159      2.00000
      4       4.0632      2.00000
      5       6.5530      0.09858
      6       6.5575      0.09445
      7       8.0733      0.00000
      8      10.7458      0.00000
      9      10.7481      0.00000
     10      11.3263      0.00000
     11      12.6498      0.00000
     12      13.3234      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3307      2.00000
      2       2.6826      2.00000
      3       3.7653      2.00000
      4       4.1224      2.00000
      5       6.7028      0.02291
      6       7.2970      0.00006
      7       8.6647      0.00000
      8       9.7005      0.00000
      9      10.0536      0.00000
     10      11.1927      0.00000
     11      12.2602      0.00000
     12      13.2372      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0884      2.00000
      2       1.7036      2.00000
      3       4.0175      2.00000
      4       4.3357      2.00000
      5       6.9451      0.00205
      6       7.5908      0.00000
      7       8.6986      0.00000
      8       9.0959      0.00000
      9       9.9727      0.00000
     10      11.3615      0.00000
     11      11.4415      0.00000
     12      12.7734      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7594      2.00000
      2       0.8035      2.00000
      3       4.3678      2.00000
      4       4.6335      2.00000
      5       7.2151      0.00014
      6       7.6000      0.00000
      7       7.8487      0.00000
      8       8.4794      0.00000
      9      10.5647      0.00000
     10      11.3391      0.00000
     11      11.6521      0.00000
     12      12.4203      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3679      2.00000
      2       0.0263      2.00000
      3       4.8088      2.00000
      4       4.9843      1.99999
      5       6.8219      0.00702
      6       7.2116      0.00014
      7       7.8642      0.00000
      8       8.2984      0.00000
      9       9.7565      0.00000
     10      11.6910      0.00000
     11      12.0894      0.00000
     12      13.2359      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0134      2.00000
      2      -0.5223      2.00000
      3       5.2776      1.99989
      4       5.3082      1.99985
      5       6.1688      1.41460
      6       6.7895      0.00970
      7       8.3152      0.00000
      8       8.3819      0.00000
      9       9.0280      0.00000
     10      11.5668      0.00000
     11      12.3720      0.00000
     12      13.8825      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3803      2.00000
      2       2.6431      2.00000
      3       3.8823      2.00000
      4       4.5755      2.00000
      5       6.1489      1.49351
      6       7.1290      0.00033
      7       8.6152      0.00000
      8       9.8288      0.00000
      9      10.4972      0.00000
     10      11.7947      0.00000
     11      11.8453      0.00000
     12      12.8852      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3308      2.00000
      2       2.6790      2.00000
      3       3.7676      2.00000
      4       4.1242      2.00000
      5       6.7065      0.02211
      6       7.2967      0.00006
      7       8.6601      0.00000
      8       9.6991      0.00000
      9      10.0527      0.00000
     10      11.1962      0.00000
     11      12.2599      0.00000
     12      13.2356      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1830      2.00000
      2       2.6325      2.00000
      3       3.0687      2.00000
      4       4.1461      2.00000
      5       7.0858      0.00050
      6       8.0886      0.00000
      7       8.7021      0.00000
      8       9.0956      0.00000
      9       9.8195      0.00000
     10      10.4957      0.00000
     11      12.4849      0.00000
     12      13.1077      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9401      2.00000
      2       1.8163      2.00000
      3       3.1469      2.00000
      4       4.3622      2.00000
      5       7.1845      0.00019
      6       8.0209      0.00000
      7       8.4978      0.00000
      8       9.1925      0.00000
      9       9.9019      0.00000
     10      10.6071      0.00000
     11      11.9364      0.00000
     12      13.1309      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6097      2.00000
      2       0.9315      2.00000
      3       3.4586      2.00000
      4       4.6661      2.00000
      5       6.7375      0.01626
      6       7.8538      0.00000
      7       8.0839      0.00000
      8       9.1113      0.00000
      9      10.5312      0.00000
     10      11.1527      0.00000
     11      11.7021      0.00000
     12      12.8221      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2157      2.00000
      2       0.1566      2.00000
      3       3.8507      2.00000
      4       5.0238      1.99999
      5       6.0469      1.78219
      6       7.2994      0.00006
      7       8.2577      0.00000
      8       9.2706      0.00000
      9      10.4496      0.00000
     10      10.9491      0.00000
     11      12.3361      0.00000
     12      13.1520      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8562      2.00000
      2      -0.3953      2.00000
      3       4.2283      2.00000
      4       5.2824      1.99988
      5       5.5675      1.99798
      6       6.8018      0.00858
      7       8.5601      0.00000
      8       9.4173      0.00000
      9       9.9375      0.00000
     10      11.2909      0.00000
     11      11.9789      0.00000
     12      13.0343      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1385      2.00000
      2       1.6587      2.00000
      3       4.1167      2.00000
      4       4.8185      2.00000
      5       6.3931      0.40841
      6       7.4310      0.00002
      7       8.8249      0.00000
      8       9.4679      0.00000
      9       9.8970      0.00000
     10      10.9724      0.00000
     11      12.0697      0.00000
     12      12.5060      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0887      2.00000
      2       1.7006      2.00000
      3       4.0197      2.00000
      4       4.3374      2.00000
      5       6.9484      0.00199
      6       7.5924      0.00000
      7       8.6979      0.00000
      8       9.0944      0.00000
      9       9.9663      0.00000
     10      11.3644      0.00000
     11      11.4424      0.00000
     12      12.7737      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9403      2.00000
      2       1.8136      2.00000
      3       3.1501      2.00000
      4       4.3621      2.00000
      5       7.1847      0.00019
      6       8.0221      0.00000
      7       8.5004      0.00000
      8       9.1911      0.00000
      9       9.8994      0.00000
     10      10.6064      0.00000
     11      11.9353      0.00000
     12      13.1348      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6960      2.00000
      2       1.8119      2.00000
      3       2.4025      2.00000
      4       4.5752      2.00000
      5       6.6585      0.03545
      6       7.9105      0.00000
      7       8.9566      0.00000
      8       9.4227      0.00000
      9       9.9101      0.00000
     10      10.6823      0.00000
     11      11.9765      0.00000
     12      12.8181      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3632      2.00000
      2       1.1227      2.00000
      3       2.5040      2.00000
      4       4.8529      2.00000
      5       5.9054      1.94229
      6       8.0842      0.00000
      7       8.3589      0.00000
      8       9.6058      0.00000
      9      10.3414      0.00000
     10      11.5420      0.00000
     11      11.7858      0.00000
     12      12.8159      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       0.3659      2.00000
      3       2.8541      2.00000
      4       4.9210      2.00000
      5       5.4900      1.99907
      6       7.5282      0.00001
      7       8.5213      0.00000
      8       9.9355      0.00000
      9      10.3429      0.00000
     10      11.2538      0.00000
     11      12.3450      0.00000
     12      12.8026      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5955      2.00000
      2      -0.1899      2.00000
      3       3.1935      2.00000
      4       4.5134      2.00000
      5       5.7256      1.99021
      6       6.9985      0.00120
      7       8.8196      0.00000
      8       9.9974      0.00000
      9      10.3166      0.00000
     10      11.2903      0.00000
     11      11.8066      0.00000
     12      13.0880      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8101      2.00000
      2       0.7572      2.00000
      3       4.4457      2.00000
      4       5.1544      1.99997
      5       6.6816      0.02827
      6       7.5772      0.00000
      7       8.0398      0.00000
      8       8.5349      0.00000
      9      10.1195      0.00000
     10      11.3383      0.00000
     11      12.1142      0.00000
     12      12.3872      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7600      2.00000
      2       0.8011      2.00000
      3       4.3697      2.00000
      4       4.6350      2.00000
      5       7.2176      0.00013
      6       7.6012      0.00000
      7       7.8492      0.00000
      8       8.4798      0.00000
      9      10.5657      0.00000
     10      11.3335      0.00000
     11      11.6529      0.00000
     12      12.4208      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6102      2.00000
      2       0.9293      2.00000
      3       3.4617      2.00000
      4       4.6657      2.00000
      5       6.7384      0.01611
      6       7.8528      0.00000
      7       8.0843      0.00000
      8       9.1156      0.00000
      9      10.5335      0.00000
     10      11.1516      0.00000
     11      11.6954      0.00000
     12      12.8254      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3634      2.00000
      2       1.1209      2.00000
      3       2.5062      2.00000
      4       4.8528      2.00000
      5       5.9059      1.94201
      6       8.0834      0.00000
      7       8.3581      0.00000
      8       9.6078      0.00000
      9      10.3466      0.00000
     10      11.5403      0.00000
     11      11.7814      0.00000
     12      12.8168      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0264      2.00000
      2       1.1868      2.00000
      3       1.8346      2.00000
      4       4.8108      2.00000
      5       5.4358      1.99946
      6       8.4056      0.00000
      7       8.4138      0.00000
      8       8.9683      0.00000
      9      11.1878      0.00000
     10      11.8071      0.00000
     11      12.0774      0.00000
     12      12.1137      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6195      2.00000
      2       0.6283      2.00000
      3       1.9573      2.00000
      4       4.2128      2.00000
      5       5.7035      1.99214
      6       7.8209      0.00000
      7       8.8074      0.00000
      8       9.1018      0.00000
      9      10.8207      0.00000
     10      11.4629      0.00000
     11      12.1835      0.00000
     12      12.6113      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2345      2.00000
      2       0.0793      2.00000
      3       2.2398      2.00000
      4       3.7351      2.00000
      5       6.0572      1.76123
      6       7.2803      0.00007
      7       9.1426      0.00000
      8       9.3915      0.00000
      9      10.3084      0.00000
     10      11.0848      0.00000
     11      12.4029      0.00000
     12      12.8550      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4199      2.00000
      2      -0.0196      2.00000
      3       4.8500      2.00000
      4       5.5703      1.99792
      5       6.7509      0.01422
      6       7.4483      0.00001
      7       7.7192      0.00000
      8       7.8876      0.00000
      9       9.3442      0.00000
     10      11.6160      0.00000
     11      12.7677      0.00000
     12      13.0830      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3689      2.00000
      2       0.0245      2.00000
      3       4.8103      2.00000
      4       4.9854      1.99999
      5       6.8225      0.00698
      6       7.2123      0.00014
      7       7.8670      0.00000
      8       8.2998      0.00000
      9       9.7582      0.00000
     10      11.6929      0.00000
     11      12.0910      0.00000
     12      13.2272      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2166      2.00000
      2       0.1550      2.00000
      3       3.8535      2.00000
      4       5.0232      1.99999
      5       6.0483      1.77945
      6       7.2983      0.00006
      7       8.2575      0.00000
      8       9.2753      0.00000
      9      10.4511      0.00000
     10      10.9518      0.00000
     11      12.3390      0.00000
     12      13.1458      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9651      2.00000
      2       0.3645      2.00000
      3       2.8562      2.00000
      4       4.9216      2.00000
      5       5.4898      1.99907
      6       7.5270      0.00001
      7       8.5208      0.00000
      8       9.9372      0.00000
      9      10.3454      0.00000
     10      11.2580      0.00000
     11      12.3466      0.00000
     12      12.8032      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6199      2.00000
      2       0.6272      2.00000
      3       1.9586      2.00000
      4       4.2133      2.00000
      5       5.7031      1.99217
      6       7.8199      0.00000
      7       8.8072      0.00000
      8       9.1028      0.00000
      9      10.8204      0.00000
     10      11.4640      0.00000
     11      12.1849      0.00000
     12      12.6170      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1982      2.00000
      2       0.7667      2.00000
      3       1.3382      2.00000
      4       3.5382      2.00000
      5       6.0865      1.69253
      6       8.0154      0.00000
      7       8.4328      0.00000
      8       9.2203      0.00000
      9      10.6934      0.00000
     10      10.9768      0.00000
     11      11.7565      0.00000
     12      13.9256      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7828      2.00000
      2       0.3740      2.00000
      3       1.3922      2.00000
      4       3.0878      2.00000
      5       6.4776      0.19862
      6       7.6012      0.00000
      7       8.5578      0.00000
      8       9.5858      0.00000
      9      10.1432      0.00000
     10      10.7931      0.00000
     11      11.6485      0.00000
     12      13.8602      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5663      2.00000
      3       5.2507      1.99991
      4       5.9947      1.86467
      5       6.3352      0.62786
      6       7.0946      0.00046
      7       7.6174      0.00000
      8       8.1169      0.00000
      9       8.6729      0.00000
     10      11.4434      0.00000
     11      13.1130      0.00000
     12      14.1457      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2      -0.5234      2.00000
      3       5.2786      1.99989
      4       5.3089      1.99985
      5       6.1699      1.41016
      6       6.7906      0.00959
      7       8.3167      0.00000
      8       8.3846      0.00000
      9       9.0301      0.00000
     10      11.5686      0.00000
     11      12.3746      0.00000
     12      13.8852      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8576      2.00000
      2      -0.3963      2.00000
      3       4.2308      2.00000
      4       5.2833      1.99988
      5       5.5673      1.99798
      6       6.8013      0.00862
      7       8.5588      0.00000
      8       9.4202      0.00000
      9       9.9422      0.00000
     10      11.2932      0.00000
     11      11.9823      0.00000
     12      13.0366      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5967      2.00000
      2      -0.1907      2.00000
      3       3.1953      2.00000
      4       4.5150      2.00000
      5       5.7244      1.99032
      6       6.9980      0.00121
      7       8.8184      0.00000
      8       9.9982      0.00000
      9      10.3181      0.00000
     10      11.2969      0.00000
     11      11.8092      0.00000
     12      13.0921      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2354      2.00000
      2       0.0788      2.00000
      3       2.2409      2.00000
      4       3.7362      2.00000
      5       6.0563      1.76318
      6       7.2800      0.00007
      7       9.1419      0.00000
      8       9.3922      0.00000
      9      10.3085      0.00000
     10      11.0863      0.00000
     11      12.4039      0.00000
     12      12.8625      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7834      2.00000
      2       0.3739      2.00000
      3       1.3927      2.00000
      4       3.0883      2.00000
      5       6.4770      0.19963
      6       7.6012      0.00000
      7       8.5581      0.00000
      8       9.5852      0.00000
      9      10.1434      0.00000
     10      10.7937      0.00000
     11      11.6488      0.00000
     12      13.8612      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2982      2.00000
      2       0.5557      2.00000
      3       0.7556      2.00000
      4       2.6808      2.00000
      5       6.9221      0.00258
      6       7.8185      0.00000
      7       7.9644      0.00000
      8       9.7148      0.00000
      9      10.0879      0.00000
     10      10.8061      0.00000
     11      11.0556      0.00000
     12      13.7212      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2329      2.00000
      2       2.5806      2.00000
      3       3.0700      2.00000
      4       4.7219      2.00000
      5       6.4123      0.34959
      6       8.0420      0.00000
      7       8.6515      0.00000
      8       9.1553      0.00000
      9      10.4939      0.00000
     10      10.8507      0.00000
     11      11.8486      0.00000
     12      12.6357      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1833      2.00000
      2       2.6321      2.00000
      3       3.0689      2.00000
      4       4.1461      2.00000
      5       7.0922      0.00047
      6       8.0828      0.00000
      7       8.7008      0.00000
      8       9.0956      0.00000
      9       9.8214      0.00000
     10      10.4935      0.00000
     11      12.4866      0.00000
     12      13.1104      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0352      2.00000
      2       2.7860      2.00000
      3       2.7886      2.00000
      4       3.5468      2.00000
      5       8.1544      0.00000
      6       8.1609      0.00000
      7       8.8452      0.00000
      8       8.8543      0.00000
      9       8.8569      0.00000
     10      10.1773      0.00000
     11      13.0604      0.00000
     12      13.7813      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7916      2.00000
      2       1.9407      2.00000
      3       3.0430      2.00000
      4       3.6083      2.00000
      5       7.6300      0.00000
      6       7.9953      0.00000
      7       8.6114      0.00000
      8       9.0807      0.00000
      9       9.3139      0.00000
     10      10.5978      0.00000
     11      12.7750      0.00000
     12      13.6509      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4601      2.00000
      2       1.0631      2.00000
      3       3.3997      2.00000
      4       3.8486      2.00000
      5       6.7342      0.01680
      6       7.3066      0.00006
      7       8.9180      0.00000
      8       9.3934      0.00000
      9       9.6736      0.00000
     10      11.8353      0.00000
     11      12.0277      0.00000
     12      12.9289      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0636      2.00000
      2       0.2891      2.00000
      3       3.8511      2.00000
      4       4.1378      2.00000
      5       5.9002      1.94514
      6       6.6897      0.02608
      7       9.3529      0.00000
      8       9.6894      0.00000
      9       9.9460      0.00000
     10      11.2572      0.00000
     11      12.1552      0.00000
     12      12.9823      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6993      2.00000
      2      -0.2664      2.00000
      3       4.3503      2.00000
      4       4.3808      2.00000
      5       5.1949      1.99995
      6       6.2899      0.83703
      7       9.8251      0.00000
      8       9.8758      0.00000
      9      10.2764      0.00000
     10      10.5612      0.00000
     11      11.5924      0.00000
     12      12.9141      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9904      2.00000
      2       1.7685      2.00000
      3       3.1276      2.00000
      4       4.9648      2.00000
      5       6.5703      0.08355
      6       7.9127      0.00000
      7       8.5957      0.00000
      8       9.6044      0.00000
      9      10.0244      0.00000
     10      10.9353      0.00000
     11      11.3334      0.00000
     12      12.6458      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9406      2.00000
      2       1.8133      2.00000
      3       3.1501      2.00000
      4       4.3622      2.00000
      5       7.1895      0.00018
      6       8.0201      0.00000
      7       8.4996      0.00000
      8       9.1893      0.00000
      9       9.8995      0.00000
     10      10.6056      0.00000
     11      11.9373      0.00000
     12      13.1393      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7918      2.00000
      2       1.9380      2.00000
      3       3.0449      2.00000
      4       3.6095      2.00000
      5       7.6293      0.00000
      6       7.9952      0.00000
      7       8.6149      0.00000
      8       9.0839      0.00000
      9       9.3121      0.00000
     10      10.5937      0.00000
     11      12.7754      0.00000
     12      13.6506      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5470      2.00000
      2       1.9674      2.00000
      3       2.4542      2.00000
      4       3.6326      2.00000
      5       6.8637      0.00463
      6       7.9181      0.00000
      7       8.5320      0.00000
      8       9.1099      0.00000
      9      10.0699      0.00000
     10      10.9304      0.00000
     11      13.0677      0.00000
     12      13.0703      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2131      2.00000
      2       1.2626      2.00000
      3       2.6043      2.00000
      4       3.8895      2.00000
      5       6.0111      1.84257
      6       7.3194      0.00005
      7       8.6443      0.00000
      8       9.4219      0.00000
      9      10.6268      0.00000
     10      11.8675      0.00000
     11      12.3498      0.00000
     12      12.6909      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8122      2.00000
      2       0.5025      2.00000
      3       2.9774      2.00000
      4       4.1988      2.00000
      5       5.2612      1.99991
      6       6.6660      0.03294
      7       8.9692      0.00000
      8       9.7797      0.00000
      9      10.8972      0.00000
     10      11.3830      0.00000
     11      12.0373      0.00000
     12      13.5857      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4389      2.00000
      2      -0.0574      2.00000
      3       3.3393      2.00000
      4       4.4072      2.00000
      5       4.7671      2.00000
      6       6.2232      1.16755
      7       9.2525      0.00000
      8      10.1384      0.00000
      9      10.8071      0.00000
     10      11.1127      0.00000
     11      11.5723      0.00000
     12      13.4996      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6607      2.00000
      2       0.8840      2.00000
      3       3.4307      2.00000
      4       5.3005      1.99986
      5       6.4579      0.23675
      6       7.4687      0.00001
      7       8.6784      0.00000
      8       8.8181      0.00000
      9      10.6513      0.00000
     10      11.2486      0.00000
     11      11.4913      0.00000
     12      12.5303      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6105      2.00000
      2       0.9290      2.00000
      3       3.4616      2.00000
      4       4.6657      2.00000
      5       6.7379      0.01619
      6       7.8657      0.00000
      7       8.0769      0.00000
      8       9.1110      0.00000
      9      10.5332      0.00000
     10      11.1543      0.00000
     11      11.6944      0.00000
     12      12.8228      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4605      2.00000
      2       1.0608      2.00000
      3       3.4014      2.00000
      4       3.8496      2.00000
      5       6.7338      0.01686
      6       7.3066      0.00006
      7       8.9216      0.00000
      8       9.3963      0.00000
      9       9.6752      0.00000
     10      11.8273      0.00000
     11      12.0289      0.00000
     12      12.9299      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2134      2.00000
      2       1.2607      2.00000
      3       2.6066      2.00000
      4       3.8893      2.00000
      5       6.0115      1.84198
      6       7.3181      0.00005
      7       8.6462      0.00000
      8       9.4221      0.00000
      9      10.6327      0.00000
     10      11.8628      0.00000
     11      12.3468      0.00000
     12      12.6913      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8756      2.00000
      2       1.3431      2.00000
      3       1.9409      2.00000
      4       4.1202      2.00000
      5       5.2386      1.99992
      6       7.3394      0.00004
      7       8.0479      0.00000
      8       9.7350      0.00000
      9      11.2769      0.00000
     10      11.8834      0.00000
     11      12.5402      0.00000
     12      12.7926      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4671      2.00000
      2       0.7727      2.00000
      3       2.0883      2.00000
      4       4.1376      2.00000
      5       4.8463      2.00000
      6       6.8536      0.00512
      7       8.1223      0.00000
      8      10.0419      0.00000
      9      10.6832      0.00000
     10      12.0002      0.00000
     11      12.8454      0.00000
     12      13.3152      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0782      2.00000
      2       0.2176      2.00000
      3       2.3893      2.00000
      4       3.7738      2.00000
      5       5.0158      1.99999
      6       6.3868      0.42926
      7       8.3417      0.00000
      8      10.0596      0.00000
      9      10.5418      0.00000
     10      11.6788      0.00000
     11      13.0050      0.00000
     12      13.6661      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2679      2.00000
      2       0.1100      2.00000
      3       3.8149      2.00000
      4       5.7161      1.99110
      5       5.9135      1.93760
      6       7.5823      0.00000
      7       7.8647      0.00000
      8       8.9550      0.00000
      9      10.1166      0.00000
     10      11.6335      0.00000
     11      12.2074      0.00000
     12      12.8459      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2169      2.00000
      2       0.1548      2.00000
      3       3.8536      2.00000
      4       5.0231      1.99999
      5       6.0471      1.78179
      6       7.3015      0.00006
      7       8.2617      0.00000
      8       9.2709      0.00000
      9      10.4496      0.00000
     10      10.9533      0.00000
     11      12.3358      0.00000
     12      13.1453      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0645      2.00000
      2       0.2875      2.00000
      3       3.8525      2.00000
      4       4.1385      2.00000
      5       5.9004      1.94506
      6       6.6901      0.02597
      7       9.3561      0.00000
      8       9.6918      0.00000
      9       9.9484      0.00000
     10      11.2592      0.00000
     11      12.1570      0.00000
     12      12.9805      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8129      2.00000
      2       0.5011      2.00000
      3       2.9796      2.00000
      4       4.1983      2.00000
      5       5.2619      1.99990
      6       6.6652      0.03320
      7       8.9710      0.00000
      8       9.7793      0.00000
      9      10.9033      0.00000
     10      11.3834      0.00000
     11      12.0390      0.00000
     12      13.5806      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4675      2.00000
      2       0.7716      2.00000
      3       2.0897      2.00000
      4       4.1379      2.00000
      5       4.8461      2.00000
      6       6.8529      0.00515
      7       8.1234      0.00000
      8      10.0417      0.00000
      9      10.6836      0.00000
     10      12.0018      0.00000
     11      12.8505      0.00000
     12      13.3146      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0449      2.00000
      2       0.9234      2.00000
      3       1.4686      2.00000
      4       3.5884      2.00000
      5       5.0898      1.99998
      6       6.9438      0.00208
      7       7.5413      0.00001
      8       9.8498      0.00000
      9      10.6265      0.00000
     10      12.2755      0.00000
     11      12.9066      0.00000
     12      14.0755      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6270      2.00000
      2       0.5212      2.00000
      3       1.5433      2.00000
      4       3.1481      2.00000
      5       5.4321      1.99948
      6       6.6105      0.05670
      7       7.5330      0.00001
      8       9.4959      0.00000
      9      10.9400      0.00000
     10      11.9961      0.00000
     11      12.9249      0.00000
     12      14.5549      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9104      2.00000
      2      -0.4401      2.00000
      3       4.1837      2.00000
      4       5.4031      1.99961
      5       6.1398      1.52735
      6       7.2413      0.00011
      7       7.8005      0.00000
      8       8.9624      0.00000
      9       9.8220      0.00000
     10      11.9846      0.00000
     11      11.9888      0.00000
     12      13.4018      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8578      2.00000
      2      -0.3965      2.00000
      3       4.2310      2.00000
      4       5.2827      1.99988
      5       5.5661      1.99801
      6       6.8036      0.00843
      7       8.5656      0.00000
      8       9.4189      0.00000
      9       9.9369      0.00000
     10      11.2935      0.00000
     11      11.9801      0.00000
     12      13.0377      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7007      2.00000
      2      -0.2674      2.00000
      3       4.3510      2.00000
      4       4.3812      2.00000
      5       5.1957      1.99995
      6       6.2908      0.83272
      7       9.8268      0.00000
      8       9.8790      0.00000
      9      10.2786      0.00000
     10      10.5638      0.00000
     11      11.5949      0.00000
     12      12.9157      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4401      2.00000
      2      -0.0582      2.00000
      3       3.3411      2.00000
      4       4.4078      2.00000
      5       4.7666      2.00000
      6       6.2231      1.16815
      7       9.2541      0.00000
      8      10.1374      0.00000
      9      10.8080      0.00000
     10      11.1168      0.00000
     11      11.5776      0.00000
     12      13.5036      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0792      2.00000
      2       0.2170      2.00000
      3       2.3904      2.00000
      4       3.7748      2.00000
      5       5.0149      1.99999
      6       6.3866      0.42976
      7       8.3426      0.00000
      8      10.0605      0.00000
      9      10.5409      0.00000
     10      11.6797      0.00000
     11      13.0124      0.00000
     12      13.6671      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6276      2.00000
      2       0.5210      2.00000
      3       1.5438      2.00000
      4       3.1486      2.00000
      5       5.4315      1.99948
      6       6.6106      0.05665
      7       7.5333      0.00001
      8       9.4963      0.00000
      9      10.9394      0.00000
     10      11.9965      0.00000
     11      12.9252      0.00000
     12      14.5622      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1425      2.00000
      2       0.7127      2.00000
      3       0.9080      2.00000
      4       2.7405      2.00000
      5       5.8783      1.95570
      6       6.7446      0.01515
      7       6.9310      0.00236
      8       9.1436      0.00000
      9      11.3856      0.00000
     10      12.1297      0.00000
     11      12.3485      0.00000
     12      14.6361      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7468      2.00000
      2       1.7598      2.00000
      3       2.3747      2.00000
      4       5.2072      1.99994
      5       6.3589      0.53055
      6       7.4640      0.00001
      7       9.7087      0.00000
      8       9.7333      0.00000
      9      10.0274      0.00000
     10      10.3495      0.00000
     11      11.2981      0.00000
     12      12.4508      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6968      2.00000
      2       1.8118      2.00000
      3       2.4028      2.00000
      4       4.5748      2.00000
      5       6.6591      0.03525
      6       7.9184      0.00000
      7       8.9565      0.00000
      8       9.4192      0.00000
      9       9.9081      0.00000
     10      10.6776      0.00000
     11      11.9799      0.00000
     12      12.8259      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5475      2.00000
      2       1.9675      2.00000
      3       2.4546      2.00000
      4       3.6320      2.00000
      5       6.8637      0.00463
      6       7.9185      0.00000
      7       8.5408      0.00000
      8       9.1046      0.00000
      9      10.0684      0.00000
     10      10.9267      0.00000
     11      13.0684      0.00000
     12      13.0771      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3016      2.00000
      2       2.2252      2.00000
      3       2.2278      2.00000
      4       3.0625      2.00000
      5       6.8990      0.00325
      6       6.9008      0.00320
      7       7.9359      0.00000
      8      10.3166      0.00000
      9      10.3219      0.00000
     10      11.1675      0.00000
     11      12.3416      0.00000
     12      13.7458      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9658      2.00000
      2       1.4811      2.00000
      3       2.5860      2.00000
      4       3.1516      2.00000
      5       5.9567      1.90547
      6       6.5459      0.10546
      7       7.8195      0.00000
      8      10.6607      0.00000
      9      10.8581      0.00000
     10      11.3738      0.00000
     11      12.5441      0.00000
     12      13.5732      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5609      2.00000
      2       0.7237      2.00000
      3       3.0417      2.00000
      4       3.3923      2.00000
      5       5.1074      1.99998
      6       6.0269      1.81810
      7       8.0353      0.00000
      8      10.4500      0.00000
      9      11.0957      0.00000
     10      11.5050      0.00000
     11      12.9355      0.00000
     12      13.9410      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1793      2.00000
      2       0.1578      2.00000
      3       3.5537      2.00000
      4       3.5950      2.00000
      5       4.3917      2.00000
      6       5.6729      1.99421
      7       8.2591      0.00000
      8      10.0644      0.00000
      9      11.5927      0.00000
     10      11.6366      0.00000
     11      12.2873      0.00000
     12      14.0092      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4146      2.00000
      2       1.0727      2.00000
      3       2.4690      2.00000
      4       5.5425      1.99842
      5       5.7119      1.99146
      6       7.5454      0.00001
      7       8.9112      0.00000
      8      10.0096      0.00000
      9      10.2152      0.00000
     10      11.0872      0.00000
     11      11.4374      0.00000
     12      12.6320      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3642      2.00000
      2       1.1202      2.00000
      3       2.5070      2.00000
      4       4.8524      2.00000
      5       5.9056      1.94220
      6       8.0969      0.00000
      7       8.3529      0.00000
      8       9.6053      0.00000
      9      10.3419      0.00000
     10      11.5420      0.00000
     11      11.7811      0.00000
     12      12.8280      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2139      2.00000
      2       1.2602      2.00000
      3       2.6076      2.00000
      4       3.8887      2.00000
      5       6.0114      1.84211
      6       7.3190      0.00005
      7       8.6508      0.00000
      8       9.4210      0.00000
      9      10.6282      0.00000
     10      11.8631      0.00000
     11      12.3515      0.00000
     12      12.6894      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9661      2.00000
      2       1.4791      2.00000
      3       2.5874      2.00000
      4       3.1523      2.00000
      5       5.9560      1.90609
      6       6.5461      0.10529
      7       7.8211      0.00000
      8      10.6648      0.00000
      9      10.8603      0.00000
     10      11.3724      0.00000
     11      12.5384      0.00000
     12      13.5746      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6268      2.00000
      2       1.6026      2.00000
      3       2.0802      2.00000
      4       3.2288      2.00000
      5       5.3103      1.99985
      6       6.3081      0.75028
      7       7.2570      0.00009
      8      10.3493      0.00000
      9      11.2288      0.00000
     10      12.2100      0.00000
     11      13.0082      0.00000
     12      13.9519      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2151      2.00000
      2       1.0084      2.00000
      3       2.2936      2.00000
      4       3.5092      2.00000
      5       4.5838      2.00000
      6       5.9195      1.93384
      7       7.2078      0.00015
      8       9.7515      0.00000
      9      11.6150      0.00000
     10      12.7678      0.00000
     11      13.6227      0.00000
     12      14.2406      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8193      2.00000
      2       0.4432      2.00000
      3       2.6349      2.00000
      4       3.7132      2.00000
      5       4.0856      2.00000
      6       5.5502      1.99830
      7       7.3402      0.00004
      8       9.3722      0.00000
      9      11.9779      0.00000
     10      12.8738      0.00000
     11      13.2994      0.00000
     12      14.9019      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0169      2.00000
      2       0.3176      2.00000
      3       2.8136      2.00000
      4       5.0241      1.99999
      5       5.9576      1.90470
      6       7.8130      0.00000
      7       8.1039      0.00000
      8       9.7730      0.00000
      9      10.5987      0.00000
     10      11.1093      0.00000
     11      12.1790      0.00000
     12      12.9270      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9659      2.00000
      2       0.3637      2.00000
      3       2.8570      2.00000
      4       4.9218      2.00000
      5       5.4887      1.99908
      6       7.5299      0.00001
      7       8.5264      0.00000
      8       9.9359      0.00000
      9      10.3447      0.00000
     10      11.2542      0.00000
     11      12.3458      0.00000
     12      12.8128      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8134      2.00000
      2       0.5006      2.00000
      3       2.9806      2.00000
      4       4.1977      2.00000
      5       5.2617      1.99990
      6       6.6660      0.03294
      7       8.9747      0.00000
      8       9.7801      0.00000
      9      10.8990      0.00000
     10      11.3871      0.00000
     11      12.0370      0.00000
     12      13.5793      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5616      2.00000
      2       0.7222      2.00000
      3       3.0428      2.00000
      4       3.3927      2.00000
      5       5.1073      1.99998
      6       6.0272      1.81753
      7       8.0371      0.00000
      8      10.4515      0.00000
      9      11.0995      0.00000
     10      11.5071      0.00000
     11      12.9379      0.00000
     12      13.9330      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2155      2.00000
      2       1.0073      2.00000
      3       2.2950      2.00000
      4       3.5090      2.00000
      5       4.5840      2.00000
      6       5.9192      1.93406
      7       7.2088      0.00015
      8       9.7521      0.00000
      9      11.6149      0.00000
     10      12.7738      0.00000
     11      13.6234      0.00000
     12      14.2340      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7913      2.00000
      2       1.1837      2.00000
      3       1.6771      2.00000
      4       3.5570      2.00000
      5       4.2336      2.00000
      6       5.9076      1.94108
      7       6.6372      0.04370
      8       9.1740      0.00000
      9      12.0191      0.00000
     10      13.6287      0.00000
     11      14.2018      0.00000
     12      14.3535      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3687      2.00000
      2       0.7631      2.00000
      3       1.7929      2.00000
      4       3.2293      2.00000
      5       4.4160      2.00000
      6       5.6398      1.99584
      7       6.5272      0.12572
      8       8.8322      0.00000
      9      12.3996      0.00000
     10      13.3736      0.00000
     11      14.3268      0.00000
     12      14.8106      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6499      2.00000
      2      -0.2361      2.00000
      3       3.1470      2.00000
      4       4.5143      2.00000
      5       6.3803      0.45158
      6       7.4827      0.00001
      7       8.0609      0.00000
      8       9.4704      0.00000
      9      10.9602      0.00000
     10      11.2396      0.00000
     11      12.3644      0.00000
     12      12.4965      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5975      2.00000
      2      -0.1914      2.00000
      3       3.1962      2.00000
      4       4.5149      2.00000
      5       5.7230      1.99046
      6       7.0002      0.00118
      7       8.8257      0.00000
      8      10.0001      0.00000
      9      10.3176      0.00000
     10      11.2888      0.00000
     11      11.8090      0.00000
     12      13.0939      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4406      2.00000
      2      -0.0587      2.00000
      3       3.3423      2.00000
      4       4.4077      2.00000
      5       4.7656      2.00000
      6       6.2239      1.16412
      7       9.2570      0.00000
      8      10.1400      0.00000
      9      10.8114      0.00000
     10      11.1146      0.00000
     11      11.5724      0.00000
     12      13.5010      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1805      2.00000
      2       0.1569      2.00000
      3       3.5543      2.00000
      4       3.5951      2.00000
      5       4.3922      2.00000
      6       5.6736      1.99417
      7       8.2607      0.00000
      8      10.0661      0.00000
      9      11.5958      0.00000
     10      11.6394      0.00000
     11      12.2904      0.00000
     12      14.0114      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8202      2.00000
      2       0.4426      2.00000
      3       2.6360      2.00000
      4       3.7136      2.00000
      5       4.0851      2.00000
      6       5.5504      1.99830
      7       7.3411      0.00004
      8       9.3732      0.00000
      9      11.9769      0.00000
     10      12.8763      0.00000
     11      13.3058      0.00000
     12      14.9070      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3693      2.00000
      2       0.7628      2.00000
      3       1.7934      2.00000
      4       3.2297      2.00000
      5       4.4154      2.00000
      6       5.6399      1.99583
      7       6.5276      0.12533
      8       8.8326      0.00000
      9      12.3990      0.00000
     10      13.3742      0.00000
     11      14.3271      0.00000
     12      14.8179      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1158      2.00000
      2       0.9733      2.00000
      3       1.1598      2.00000
      4       2.8303      2.00000
      5       4.8545      2.00000
      6       5.7062      1.99193
      7       5.9179      1.93490
      8       8.5246      0.00000
      9      12.8470      0.00000
     10      13.5713      0.00000
     11      13.7769      0.00000
     12      15.8097      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0787      2.00000
      2       1.1346      2.00000
      3       1.7976      2.00000
      4       4.9127      2.00000
      5       5.8766      1.95642
      6       7.8027      0.00000
      7       9.1193      0.00000
      8       9.4006      0.00000
      9      10.4740      0.00000
     10      11.3142      0.00000
     11      11.9585      0.00000
     12      12.7730      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0281      2.00000
      2       1.1868      2.00000
      3       1.8351      2.00000
      4       4.8117      2.00000
      5       5.4344      1.99947
      6       8.4060      0.00000
      7       8.4303      0.00000
      8       8.9584      0.00000
      9      11.1886      0.00000
     10      11.8035      0.00000
     11      12.0696      0.00000
     12      12.1301      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8771      2.00000
      2       1.3433      2.00000
      3       1.9416      2.00000
      4       4.1191      2.00000
      5       5.2392      1.99992
      6       7.3405      0.00004
      7       8.0512      0.00000
      8       9.7359      0.00000
      9      11.2799      0.00000
     10      11.8795      0.00000
     11      12.5383      0.00000
     12      12.7962      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6277      2.00000
      2       1.6032      2.00000
      3       2.0812      2.00000
      4       3.2268      2.00000
      5       5.3114      1.99984
      6       6.3085      0.74823
      7       7.2575      0.00009
      8      10.3504      0.00000
      9      11.2326      0.00000
     10      12.2073      0.00000
     11      13.0035      0.00000
     12      13.9560      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2858      2.00000
      2       1.9633      2.00000
      3       1.9663      2.00000
      4       2.6942      2.00000
      5       5.3558      1.99976
      6       5.3575      1.99975
      7       6.6494      0.03877
      8       9.6522      0.00000
      9      12.5601      0.00000
     10      12.5656      0.00000
     11      13.4996      0.00000
     12      14.7073      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8688      2.00000
      2       1.3197      2.00000
      3       2.4227      2.00000
      4       2.8148      2.00000
      5       4.5019      2.00000
      6       5.1999      1.99995
      7       6.4053      0.37026
      8       9.0745      0.00000
      9      12.9866      0.00000
     10      13.3030      0.00000
     11      14.6450      0.00000
     12      14.6751      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4608      2.00000
      2       0.7448      2.00000
      3       2.9386      2.00000
      4       2.9981      2.00000
      5       3.7831      2.00000
      6       4.9656      2.00000
      7       6.4180      0.33340
      8       8.7347      0.00000
      9      13.4602      0.00000
     10      13.5712      0.00000
     11      14.1437      0.00000
     12      15.4867      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6727      2.00000
      2       0.5772      2.00000
      3       1.9160      2.00000
      4       4.2072      2.00000
      5       6.2911      0.83163
      6       8.1283      0.00000
      7       8.4275      0.00000
      8       9.6729      0.00000
      9      10.1361      0.00000
     10      11.5118      0.00000
     11      11.9935      0.00000
     12      12.5041      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6216      2.00000
      2       0.6258      2.00000
      3       1.9605      2.00000
      4       4.2146      2.00000
      5       5.7011      1.99233
      6       7.8218      0.00000
      7       8.8233      0.00000
      8       9.0928      0.00000
      9      10.8243      0.00000
     10      11.4679      0.00000
     11      12.1722      0.00000
     12      12.6293      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4689      2.00000
      2       0.7705      2.00000
      3       2.0919      2.00000
      4       4.1386      2.00000
      5       4.8447      2.00000
      6       6.8532      0.00514
      7       8.1269      0.00000
      8      10.0435      0.00000
      9      10.6873      0.00000
     10      12.0025      0.00000
     11      12.8370      0.00000
     12      13.3305      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2165      2.00000
      2       1.0066      2.00000
      3       2.2977      2.00000
      4       3.5071      2.00000
      5       4.5847      2.00000
      6       5.9188      1.93430
      7       7.2102      0.00015
      8       9.7533      0.00000
      9      11.6191      0.00000
     10      12.7681      0.00000
     11      13.6247      0.00000
     12      14.2357      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8692      2.00000
      2       1.3184      2.00000
      3       2.4236      2.00000
      4       2.8150      2.00000
      5       4.5016      2.00000
      6       5.2004      1.99995
      7       6.4061      0.36780
      8       9.0751      0.00000
      9      12.9910      0.00000
     10      13.3050      0.00000
     11      14.6472      0.00000
     12      14.6673      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4419      2.00000
      2       1.5456      2.00000
      3       1.9371      2.00000
      4       2.9902      2.00000
      5       4.0272      2.00000
      6       4.9530      2.00000
      7       5.8229      1.97431
      8       8.5482      0.00000
      9      13.5362      0.00000
     10      14.5106      0.00000
     11      15.1238      0.00000
     12      15.2172      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0109      2.00000
      2       1.0914      2.00000
      3       2.1353      2.00000
      4       3.2186      2.00000
      5       3.5699      2.00000
      6       4.7739      2.00000
      7       5.6026      1.99713
      8       8.2516      0.00000
      9      13.9402      0.00000
     10      14.7578      0.00000
     11      15.1544      0.00000
     12      15.7484      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2894      2.00000
      2       0.0307      2.00000
      3       2.1929      2.00000
      4       3.7197      2.00000
      5       6.7131      0.02069
      6       7.8115      0.00000
      7       8.4135      0.00000
      8       9.7703      0.00000
      9      10.0351      0.00000
     10      11.4239      0.00000
     11      11.6659      0.00000
     12      12.7963      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2371      2.00000
      2       0.0773      2.00000
      3       2.2431      2.00000
      4       3.7373      2.00000
      5       6.0536      1.76875
      6       7.2816      0.00007
      7       9.1582      0.00000
      8       9.3838      0.00000
      9      10.3123      0.00000
     10      11.0886      0.00000
     11      12.3927      0.00000
     12      12.8749      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0806      2.00000
      2       0.2158      2.00000
      3       2.3928      2.00000
      4       3.7760      2.00000
      5       5.0125      1.99999
      6       6.3871      0.42812
      7       8.3460      0.00000
      8      10.0631      0.00000
      9      10.5445      0.00000
     10      11.6819      0.00000
     11      12.9970      0.00000
     12      13.6849      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8211      2.00000
      2       0.4418      2.00000
      3       2.6390      2.00000
      4       3.7136      2.00000
      5       4.0833      2.00000
      6       5.5500      1.99830
      7       7.3427      0.00004
      8       9.3744      0.00000
      9      11.9814      0.00000
     10      12.8772      0.00000
     11      13.2993      0.00000
     12      14.9047      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4617      2.00000
      2       0.7441      2.00000
      3       2.9390      2.00000
      4       2.9979      2.00000
      5       3.7834      2.00000
      6       4.9663      2.00000
      7       6.4189      0.33081
      8       8.7356      0.00000
      9      13.4638      0.00000
     10      13.5741      0.00000
     11      14.1473      0.00000
     12      15.4893      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0115      2.00000
      2       1.0911      2.00000
      3       2.1359      2.00000
      4       3.2187      2.00000
      5       3.5696      2.00000
      6       4.7742      2.00000
      7       5.6029      1.99712
      8       8.2519      0.00000
      9      13.9396      0.00000
     10      14.7594      0.00000
     11      15.1610      0.00000
     12      15.7490      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4740      2.00000
      2       1.3357      2.00000
      3       1.5058      2.00000
      4       2.9320      2.00000
      5       3.9133      2.00000
      6       4.7498      2.00000
      7       4.9855      1.99999
      8       7.9859      0.00000
      9      14.3862      0.00000
     10      15.0532      0.00000
     11      15.2612      0.00000
     12      16.3915      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2530      2.00000
      2       0.7144      2.00000
      3       1.2950      2.00000
      4       3.5199      2.00000
      5       6.7036      0.02273
      6       8.5037      0.00000
      7       8.7262      0.00000
      8       8.9579      0.00000
      9      10.1892      0.00000
     10      11.0412      0.00000
     11      11.1938      0.00000
     12      13.5241      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2017      2.00000
      2       0.7668      2.00000
      3       1.3392      2.00000
      4       3.5409      2.00000
      5       6.0824      1.70314
      6       8.0168      0.00000
      7       8.4421      0.00000
      8       9.2177      0.00000
      9      10.6996      0.00000
     10      10.9813      0.00000
     11      11.7587      0.00000
     12      13.9234      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0481      2.00000
      2       0.9238      2.00000
      3       1.4699      2.00000
      4       3.5912      2.00000
      5       5.0861      1.99998
      6       6.9452      0.00205
      7       7.5445      0.00001
      8       9.8533      0.00000
      9      10.6287      0.00000
     10      12.2802      0.00000
     11      12.9087      0.00000
     12      14.0763      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7940      2.00000
      2       1.1845      2.00000
      3       1.6790      2.00000
      4       3.5580      2.00000
      5       4.2312      2.00000
      6       5.9082      1.94070
      7       6.6387      0.04305
      8       9.1764      0.00000
      9      12.0219      0.00000
     10      13.6315      0.00000
     11      14.1925      0.00000
     12      14.3677      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4437      2.00000
      2       1.5471      2.00000
      3       1.9397      2.00000
      4       2.9860      2.00000
      5       4.0292      2.00000
      6       4.9526      2.00000
      7       5.8233      1.97419
      8       8.5493      0.00000
      9      13.5396      0.00000
     10      14.5067      0.00000
     11      15.1289      0.00000
     12      15.2132      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0101      2.00000
      2       2.0031      2.00000
      3       2.0075      2.00000
      4       2.4570      2.00000
      5       4.0940      2.00000
      6       4.0971      2.00000
      7       5.1667      1.99996
      8       8.0781      0.00000
      9      14.9561      0.00000
     10      14.9622      0.00000
     11      15.8043      0.00000
     12      15.9459      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4368      2.00000
      2       1.4815      2.00000
      3       2.5225      2.00000
      4       2.5951      2.00000
      5       3.3755      2.00000
      6       4.1217      2.00000
      7       4.7884      2.00000
      8       7.8211      0.00000
      9      15.4019      0.00000
     10      15.6005      0.00000
     11      15.9889      0.00000
     12      16.8471      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8392      2.00000
      2       0.3219      2.00000
      3       1.3462      2.00000
      4       3.0692      2.00000
      5       7.1272      0.00033
      6       8.2037      0.00000
      7       8.8509      0.00000
      8       9.2267      0.00000
      9       9.9508      0.00000
     10      10.6218      0.00000
     11      10.9022      0.00000
     12      13.4454      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7870      2.00000
      2       0.3713      2.00000
      3       1.3969      2.00000
      4       3.0908      2.00000
      5       6.4717      0.20934
      6       7.6017      0.00000
      7       8.5673      0.00000
      8       9.5857      0.00000
      9      10.1486      0.00000
     10      10.7963      0.00000
     11      11.6544      0.00000
     12      13.8629      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6310      2.00000
      2       0.5187      2.00000
      3       1.5483      2.00000
      4       3.1513      2.00000
      5       5.4268      1.99950
      6       6.6103      0.05681
      7       7.5391      0.00001
      8       9.4999      0.00000
      9      10.9412      0.00000
     10      11.9997      0.00000
     11      12.9307      0.00000
     12      14.5617      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3721      2.00000
      2       0.7609      2.00000
      3       1.7985      2.00000
      4       3.2324      2.00000
      5       4.4103      2.00000
      6       5.6390      1.99587
      7       6.5317      0.12062
      8       8.8348      0.00000
      9      12.4014      0.00000
     10      13.3781      0.00000
     11      14.3247      0.00000
     12      14.8266      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0134      2.00000
      2       1.0898      2.00000
      3       2.1419      2.00000
      4       3.2183      2.00000
      5       3.5663      2.00000
      6       4.7729      2.00000
      7       5.6053      1.99705
      8       8.2529      0.00000
      9      13.9427      0.00000
     10      14.7622      0.00000
     11      15.1494      0.00000
     12      15.7688      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4363      2.00000
      2       1.4811      2.00000
      3       2.5228      2.00000
      4       2.5949      2.00000
      5       3.3757      2.00000
      6       4.1223      2.00000
      7       4.7887      2.00000
      8       7.8214      0.00000
      9      15.4060      0.00000
     10      15.6026      0.00000
     11      15.9924      0.00000
     12      16.8519      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9236      2.00000
      2       1.7937      2.00000
      3       1.9287      2.00000
      4       2.9416      2.00000
      5       3.1621      2.00000
      6       3.8927      2.00000
      7       4.1609      2.00000
      8       7.5892      0.00000
      9      15.9366      0.00000
     10      16.4658      0.00000
     11      16.7193      0.00000
     12      16.7967      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3594      2.00000
      2       0.5033      2.00000
      3       0.7104      2.00000
      4       2.6639      2.00000
      5       7.5567      0.00000
      6       8.5299      0.00000
      7       8.6318      0.00000
      8       9.3197      0.00000
      9      10.0128      0.00000
     10      10.0582      0.00000
     11      10.2917      0.00000
     12      13.3404      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3074      2.00000
      2       0.5558      2.00000
      3       0.7615      2.00000
      4       2.6848      2.00000
      5       6.9097      0.00293
      6       7.8200      0.00000
      7       7.9775      0.00000
      8       9.7207      0.00000
      9      10.0860      0.00000
     10      10.8108      0.00000
     11      11.0647      0.00000
     12      13.7235      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1514      2.00000
      2       0.7129      2.00000
      3       0.9142      2.00000
      4       2.7447      2.00000
      5       5.8673      1.96023
      6       6.7460      0.01494
      7       6.9408      0.00214
      8       9.1480      0.00000
      9      11.3823      0.00000
     10      12.1351      0.00000
     11      12.3597      0.00000
     12      14.6404      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1074      2.00000
      2       0.9740      2.00000
      3       1.1665      2.00000
      4       2.8348      2.00000
      5       4.8435      2.00000
      6       5.7069      1.99188
      7       5.9257      1.92978
      8       8.5274      0.00000
      9      12.8435      0.00000
     10      13.5772      0.00000
     11      13.7893      0.00000
     12      15.8157      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4664      2.00000
      2       1.3370      2.00000
      3       1.5133      2.00000
      4       2.9367      2.00000
      5       3.9019      2.00000
      6       4.7495      2.00000
      7       4.9917      1.99999
      8       7.9875      0.00000
      9      14.3826      0.00000
     10      15.0590      0.00000
     11      15.2737      0.00000
     12      16.3948      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9179      2.00000
      2       1.7962      2.00000
      3       1.9378      2.00000
      4       2.9364      2.00000
      5       3.1592      2.00000
      6       3.8907      2.00000
      7       4.1652      2.00000
      8       7.5898      0.00000
      9      15.9323      0.00000
     10      16.4680      0.00000
     11      16.7083      0.00000
     12      16.8290      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4132      2.00000
      2       2.3078      2.00000
      3       2.3139      2.00000
      4       2.3772      2.00000
      5       3.1690      2.00000
      6       3.1783      2.00000
      7       3.5055      2.00000
      8       7.3776      0.00003
      9      17.2355      0.00000
     10      17.2561      0.00000
     11      17.4623      0.00000
     12      17.9441      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5768      2.00000
      2       3.6424      2.00000
      3       4.3750      2.00000
      4       4.3799      2.00000
      5       5.6042      1.99708
      6       6.1560      1.46636
      7       7.7951      0.00000
      8      11.5722      0.00000
      9      11.5763      0.00000
     10      12.1678      0.00000
     11      12.8586      0.00000
     12      12.9898      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5651      2.00000
      3       3.8393      2.00000
      4       4.4241      2.00000
      5       5.9325      1.92504
      6       6.5066      0.15242
      7       7.9488      0.00000
      8      10.8401      0.00000
      9      11.4700      0.00000
     10      11.8614      0.00000
     11      12.3589      0.00000
     12      12.8467      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3802      2.00000
      2       2.6468      2.00000
      3       3.8823      2.00000
      4       4.5708      2.00000
      5       6.1441      1.51155
      6       7.1306      0.00032
      7       8.6203      0.00000
      8       9.8320      0.00000
      9      10.4965      0.00000
     10      11.7936      0.00000
     11      11.8411      0.00000
     12      12.8805      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1381      2.00000
      2       1.6617      2.00000
      3       4.1169      2.00000
      4       4.8140      2.00000
      5       6.3883      0.42408
      6       7.4313      0.00002
      7       8.8277      0.00000
      8       9.4665      0.00000
      9       9.9042      0.00000
     10      10.9715      0.00000
     11      12.0656      0.00000
     12      12.5061      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8095      2.00000
      2       0.7596      2.00000
      3       4.4462      2.00000
      4       5.1501      1.99997
      5       6.6771      0.02953
      6       7.5781      0.00000
      7       8.0406      0.00000
      8       8.5328      0.00000
      9      10.1183      0.00000
     10      11.3467      0.00000
     11      12.1142      0.00000
     12      12.3835      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4189      2.00000
      2      -0.0178      2.00000
      3       4.8508      2.00000
      4       5.5665      1.99800
      5       6.7499      0.01437
      6       7.4461      0.00001
      7       7.7165      0.00000
      8       7.8873      0.00000
      9       9.3431      0.00000
     10      11.6158      0.00000
     11      12.7644      0.00000
     12      13.0909      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0660      2.00000
      2      -0.5652      2.00000
      3       5.2522      1.99991
      4       5.9914      1.86884
      5       6.3357      0.62594
      6       7.0912      0.00048
      7       7.6127      0.00000
      8       8.1163      0.00000
      9       8.6726      0.00000
     10      11.4424      0.00000
     11      13.1103      0.00000
     12      14.1414      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4299      2.00000
      2       2.6139      2.00000
      3       4.5215      2.00000
      4       4.5264      2.00000
      5       5.7624      1.98589
      6       6.7609      0.01288
      7       8.5640      0.00000
      8      10.4560      0.00000
      9      10.4604      0.00000
     10      11.4054      0.00000
     11      12.8219      0.00000
     12      13.0018      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3804      2.00000
      2       2.6466      2.00000
      3       3.8827      2.00000
      4       4.5706      2.00000
      5       6.1444      1.51032
      6       7.1355      0.00031
      7       8.6133      0.00000
      8       9.8322      0.00000
      9      10.4966      0.00000
     10      11.7932      0.00000
     11      11.8415      0.00000
     12      12.8755      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2328      2.00000
      2       2.5828      2.00000
      3       3.0714      2.00000
      4       4.7172      2.00000
      5       6.4072      0.36430
      6       8.0461      0.00000
      7       8.6553      0.00000
      8       9.1572      0.00000
      9      10.4915      0.00000
     10      10.8481      0.00000
     11      11.8447      0.00000
     12      12.6323      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9900      2.00000
      2       1.7715      2.00000
      3       3.1278      2.00000
      4       4.9604      2.00000
      5       6.5660      0.08713
      6       7.9144      0.00000
      7       8.5968      0.00000
      8       9.6029      0.00000
      9      10.0310      0.00000
     10      10.9312      0.00000
     11      11.3304      0.00000
     12      12.6417      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2       0.8865      2.00000
      3       3.4311      2.00000
      4       5.2962      1.99987
      5       6.4570      0.23843
      6       7.4662      0.00001
      7       8.6763      0.00000
      8       8.8182      0.00000
      9      10.6494      0.00000
     10      11.2448      0.00000
     11      11.4984      0.00000
     12      12.5296      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2668      2.00000
      2       0.1118      2.00000
      3       3.8158      2.00000
      4       5.7122      1.99143
      5       5.9143      1.93709
      6       7.5776      0.00000
      7       7.8619      0.00000
      8       8.9540      0.00000
      9      10.1156      0.00000
     10      11.6301      0.00000
     11      12.2074      0.00000
     12      12.8482      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9088      2.00000
      2      -0.4389      2.00000
      3       4.1852      2.00000
      4       5.4036      1.99961
      5       6.1364      1.53932
      6       7.2379      0.00011
      7       7.7955      0.00000
      8       8.9596      0.00000
      9       9.8232      0.00000
     10      11.9843      0.00000
     11      11.9859      0.00000
     12      13.3975      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1886      2.00000
      2       1.6211      2.00000
      3       4.7643      2.00000
      4       4.7691      2.00000
      5       6.0250      1.82111
      6       7.0448      0.00076
      7       9.4206      0.00000
      8       9.4251      0.00000
      9       9.8314      0.00000
     10      10.5263      0.00000
     11      12.3410      0.00000
     12      13.2343      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1389      2.00000
      2       1.6624      2.00000
      3       4.1167      2.00000
      4       4.8133      2.00000
      5       6.3883      0.42420
      6       7.4385      0.00001
      7       8.8264      0.00000
      8       9.4676      0.00000
      9       9.8932      0.00000
     10      10.9726      0.00000
     11      12.0654      0.00000
     12      12.5141      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9906      2.00000
      2       1.7724      2.00000
      3       3.1274      2.00000
      4       4.9598      2.00000
      5       6.5658      0.08725
      6       7.9175      0.00000
      7       8.5994      0.00000
      8       9.6044      0.00000
      9      10.0217      0.00000
     10      10.9302      0.00000
     11      11.3347      0.00000
     12      12.6341      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7464      2.00000
      2       1.7618      2.00000
      3       2.3760      2.00000
      4       5.2027      1.99995
      5       6.3585      0.53241
      6       7.4616      0.00001
      7       9.7060      0.00000
      8       9.7372      0.00000
      9      10.0246      0.00000
     10      10.3521      0.00000
     11      11.2943      0.00000
     12      12.4481      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4139      2.00000
      2       1.0751      2.00000
      3       2.4695      2.00000
      4       5.5383      1.99849
      5       5.7132      1.99134
      6       7.5405      0.00001
      7       8.9091      0.00000
      8      10.0084      0.00000
      9      10.2114      0.00000
     10      11.0853      0.00000
     11      11.4410      0.00000
     12      12.6323      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0158      2.00000
      2       0.3194      2.00000
      3       2.8145      2.00000
      4       5.0253      1.99999
      5       5.9537      1.90812
      6       7.8079      0.00000
      7       8.1011      0.00000
      8       9.7696      0.00000
      9      10.5953      0.00000
     10      11.1098      0.00000
     11      12.1754      0.00000
     12      12.9244      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6483      2.00000
      2      -0.2349      2.00000
      3       3.1485      2.00000
      4       4.5149      2.00000
      5       6.3770      0.46334
      6       7.4793      0.00001
      7       8.0558      0.00000
      8       9.4662      0.00000
      9      10.9573      0.00000
     10      11.2411      0.00000
     11      12.3611      0.00000
     12      12.4920      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8613      2.00000
      2       0.7179      2.00000
      3       5.0995      1.99998
      4       5.1043      1.99998
      5       6.3902      0.41792
      6       7.2189      0.00013
      7       8.4869      0.00000
      8       8.4915      0.00000
      9       9.6545      0.00000
     10      11.2109      0.00000
     11      12.0337      0.00000
     12      13.5419      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8112      2.00000
      2       0.7615      2.00000
      3       4.4452      2.00000
      4       5.1484      1.99997
      5       6.6768      0.02963
      6       7.5875      0.00000
      7       8.0380      0.00000
      8       8.5353      0.00000
      9      10.1194      0.00000
     10      11.3254      0.00000
     11      12.1345      0.00000
     12      12.3821      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6615      2.00000
      2       0.8886      2.00000
      3       3.4298      2.00000
      4       5.2948      1.99987
      5       6.4584      0.23557
      6       7.4666      0.00001
      7       8.6791      0.00000
      8       8.8220      0.00000
      9      10.6494      0.00000
     10      11.2426      0.00000
     11      11.4902      0.00000
     12      12.5271      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4149      2.00000
      2       1.0775      2.00000
      3       2.4676      2.00000
      4       5.5374      1.99850
      5       5.7144      1.99124
      6       7.5400      0.00001
      7       8.9124      0.00000
      8      10.0109      0.00000
      9      10.2083      0.00000
     10      11.0961      0.00000
     11      11.4289      0.00000
     12      12.6241      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0780      2.00000
      2       1.1364      2.00000
      3       1.7989      2.00000
      4       4.9144      2.00000
      5       5.8724      1.95817
      6       7.7973      0.00000
      7       9.1163      0.00000
      8       9.3976      0.00000
      9      10.4700      0.00000
     10      11.3121      0.00000
     11      11.9631      0.00000
     12      12.7784      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6717      2.00000
      2       0.5791      2.00000
      3       1.9170      2.00000
      4       4.2084      2.00000
      5       6.2872      0.85026
      6       8.1229      0.00000
      7       8.4247      0.00000
      8       9.6694      0.00000
      9      10.1315      0.00000
     10      11.5073      0.00000
     11      11.9909      0.00000
     12      12.5054      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2879      2.00000
      2       0.0320      2.00000
      3       2.1945      2.00000
      4       3.7203      2.00000
      5       6.7098      0.02138
      6       7.8081      0.00000
      7       8.4083      0.00000
      8       9.7655      0.00000
      9      10.0321      0.00000
     10      11.4206      0.00000
     11      11.6609      0.00000
     12      12.7979      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4732      2.00000
      2      -0.0579      2.00000
      3       5.5141      1.99881
      4       5.5189      1.99876
      5       6.8544      0.00508
      6       7.3442      0.00004
      7       7.6723      0.00000
      8       7.6768      0.00000
      9       8.8384      0.00000
     10      11.4218      0.00000
     11      13.1377      0.00000
     12      13.8864      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4223      2.00000
      2      -0.0140      2.00000
      3       4.8481      2.00000
      4       5.5629      1.99807
      5       6.7536      0.01385
      6       7.4476      0.00001
      7       7.7211      0.00000
      8       7.8883      0.00000
      9       9.3468      0.00000
     10      11.6138      0.00000
     11      12.7609      0.00000
     12      13.0899      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2699      2.00000
      2       0.1158      2.00000
      3       3.8129      2.00000
      4       5.7089      1.99171
      5       5.9183      1.93464
      6       7.5758      0.00000
      7       7.8668      0.00000
      8       8.9560      0.00000
      9      10.1213      0.00000
     10      11.6259      0.00000
     11      12.2069      0.00000
     12      12.8391      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0184      2.00000
      2       0.3239      2.00000
      3       2.8109      2.00000
      4       5.0282      1.99999
      5       5.9509      1.91054
      6       7.8061      0.00000
      7       8.1066      0.00000
      8       9.7704      0.00000
      9      10.5901      0.00000
     10      11.1234      0.00000
     11      12.1636      0.00000
     12      12.9282      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6734      2.00000
      2       0.5839      2.00000
      3       1.9127      2.00000
      4       4.2101      2.00000
      5       6.2854      0.85949
      6       8.1217      0.00000
      7       8.4312      0.00000
      8       9.6631      0.00000
      9      10.1324      0.00000
     10      11.5140      0.00000
     11      11.9932      0.00000
     12      12.4996      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2520      2.00000
      2       0.7161      2.00000
      3       1.2964      2.00000
      4       3.5210      2.00000
      5       6.6998      0.02361
      6       8.4981      0.00000
      7       8.7231      0.00000
      8       8.9547      0.00000
      9      10.1842      0.00000
     10      11.0367      0.00000
     11      11.1911      0.00000
     12      13.5221      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8377      2.00000
      2       0.3233      2.00000
      3       1.3478      2.00000
      4       3.0696      2.00000
      5       7.1239      0.00034
      6       8.2003      0.00000
      7       8.8457      0.00000
      8       9.2236      0.00000
      9       9.9456      0.00000
     10      10.6184      0.00000
     11      10.8972      0.00000
     12      13.4416      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1247      2.00000
      2      -0.6011      2.00000
      3       5.9347      1.92339
      4       5.9396      1.91976
      5       7.0513      0.00071
      6       7.0559      0.00068
      7       7.4038      0.00002
      8       7.4149      0.00002
      9       8.1093      0.00000
     10      11.2732      0.00000
     11      14.1592      0.00000
     12      14.5194      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0722      2.00000
      2      -0.5584      2.00000
      3       5.2454      1.99992
      4       5.9833      1.87847
      5       6.3452      0.58573
      6       7.1006      0.00043
      7       7.6095      0.00000
      8       8.1138      0.00000
      9       8.6826      0.00000
     10      11.4456      0.00000
     11      13.1031      0.00000
     12      14.1327      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9148      2.00000
      2      -0.4318      2.00000
      3       4.1792      2.00000
      4       5.4110      1.99958
      5       6.1285      1.56667
      6       7.2475      0.00010
      7       7.7921      0.00000
      8       8.9597      0.00000
      9       9.8320      0.00000
     10      11.9781      0.00000
     11      11.9892      0.00000
     12      13.3887      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6540      2.00000
      2      -0.2273      2.00000
      3       3.1423      2.00000
      4       4.5206      2.00000
      5       6.3696      0.49019
      6       7.4896      0.00001
      7       8.0525      0.00000
      8       9.4684      0.00000
      9      10.9484      0.00000
     10      11.2537      0.00000
     11      12.3688      0.00000
     12      12.4808      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2929      2.00000
      2       0.0405      2.00000
      3       2.1877      2.00000
      4       3.7242      2.00000
      5       6.7033      0.02280
      6       7.8194      0.00000
      7       8.4054      0.00000
      8       9.7686      0.00000
      9      10.0220      0.00000
     10      11.4267      0.00000
     11      11.6666      0.00000
     12      12.7913      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8414      2.00000
      2       0.3328      2.00000
      3       1.3403      2.00000
      4       3.0716      2.00000
      5       7.1192      0.00036
      6       8.2135      0.00000
      7       8.8436      0.00000
      8       9.2117      0.00000
      9       9.9492      0.00000
     10      10.6222      0.00000
     11      10.8961      0.00000
     12      13.4429      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3580      2.00000
      2       0.5049      2.00000
      3       0.7121      2.00000
      4       2.6642      2.00000
      5       7.5533      0.00000
      6       8.5267      0.00000
      7       8.6287      0.00000
      8       9.3143      0.00000
      9      10.0077      0.00000
     10      10.0549      0.00000
     11      10.2866      0.00000
     12      13.3365      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3805      2.00000
      2       2.6464      2.00000
      3       3.8786      2.00000
      4       4.5753      2.00000
      5       6.1477      1.49819
      6       7.1318      0.00032
      7       8.6129      0.00000
      8       9.8286      0.00000
      9      10.5009      0.00000
     10      11.7955      0.00000
     11      11.8415      0.00000
     12      12.8760      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3310      2.00000
      2       2.6823      2.00000
      3       3.7657      2.00000
      4       4.1221      2.00000
      5       6.7055      0.02232
      6       7.2993      0.00006
      7       8.6578      0.00000
      8       9.6998      0.00000
      9      10.0561      0.00000
     10      11.1919      0.00000
     11      12.2580      0.00000
     12      13.2457      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1832      2.00000
      2       2.6343      2.00000
      3       3.0700      2.00000
      4       4.1423      2.00000
      5       7.0869      0.00050
      6       8.0868      0.00000
      7       8.7045      0.00000
      8       9.0966      0.00000
      9       9.8192      0.00000
     10      10.4920      0.00000
     11      12.4835      0.00000
     12      13.1065      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9402      2.00000
      2       1.8163      2.00000
      3       3.1501      2.00000
      4       4.3583      2.00000
      5       7.1861      0.00018
      6       8.0204      0.00000
      7       8.4997      0.00000
      8       9.1896      0.00000
      9       9.9019      0.00000
     10      10.6058      0.00000
     11      11.9347      0.00000
     12      13.1350      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6099      2.00000
      2       0.9314      2.00000
      3       3.4619      2.00000
      4       4.6621      2.00000
      5       6.7388      0.01605
      6       7.8614      0.00000
      7       8.0750      0.00000
      8       9.1112      0.00000
      9      10.5302      0.00000
     10      11.1526      0.00000
     11      11.7016      0.00000
     12      12.8230      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2159      2.00000
      2       0.1565      2.00000
      3       3.8544      2.00000
      4       5.0199      1.99999
      5       6.0479      1.78019
      6       7.2991      0.00006
      7       8.2565      0.00000
      8       9.2708      0.00000
      9      10.4474      0.00000
     10      10.9504      0.00000
     11      12.3362      0.00000
     12      13.1512      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8563      2.00000
      2      -0.3954      2.00000
      3       4.2325      2.00000
      4       5.2817      1.99988
      5       5.5644      1.99804
      6       6.8009      0.00866
      7       8.5603      0.00000
      8       9.4167      0.00000
      9       9.9371      0.00000
     10      11.2907      0.00000
     11      11.9791      0.00000
     12      13.0355      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1390      2.00000
      2       1.6623      2.00000
      3       4.1125      2.00000
      4       4.8180      2.00000
      5       6.3916      0.41327
      6       7.4344      0.00002
      7       8.8229      0.00000
      8       9.4721      0.00000
      9       9.8934      0.00000
     10      10.9738      0.00000
     11      12.0653      0.00000
     12      12.5121      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0892      2.00000
      2       1.7043      2.00000
      3       4.0176      2.00000
      4       4.3348      2.00000
      5       6.9476      0.00200
      6       7.5949      0.00000
      7       8.6985      0.00000
      8       9.0945      0.00000
      9       9.9658      0.00000
     10      11.3734      0.00000
     11      11.4269      0.00000
     12      12.7851      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9408      2.00000
      2       1.8172      2.00000
      3       3.1497      2.00000
      4       4.3578      2.00000
      5       7.1865      0.00018
      6       8.0230      0.00000
      7       8.5011      0.00000
      8       9.1908      0.00000
      9       9.8991      0.00000
     10      10.6004      0.00000
     11      11.9361      0.00000
     12      13.1302      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6964      2.00000
      2       1.8137      2.00000
      3       2.4040      2.00000
      4       4.5709      2.00000
      5       6.6604      0.03481
      6       7.9136      0.00000
      7       8.9543      0.00000
      8       9.4176      0.00000
      9       9.9121      0.00000
     10      10.6798      0.00000
     11      11.9756      0.00000
     12      12.8222      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3636      2.00000
      2       1.1226      2.00000
      3       2.5074      2.00000
      4       4.8491      2.00000
      5       5.9069      1.94147
      6       8.0920      0.00000
      7       8.3502      0.00000
      8       9.6020      0.00000
      9      10.3420      0.00000
     10      11.5406      0.00000
     11      11.7852      0.00000
     12      12.8247      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9649      2.00000
      2       0.3655      2.00000
      3       2.8579      2.00000
      4       4.9216      2.00000
      5       5.4866      1.99910
      6       7.5274      0.00001
      7       8.5209      0.00000
      8       9.9326      0.00000
      9      10.3422      0.00000
     10      11.2537      0.00000
     11      12.3440      0.00000
     12      12.8098      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5960      2.00000
      2      -0.1903      2.00000
      3       3.1977      2.00000
      4       4.5153      2.00000
      5       5.7200      1.99074
      6       6.9973      0.00122
      7       8.8203      0.00000
      8       9.9957      0.00000
      9      10.3148      0.00000
     10      11.2901      0.00000
     11      11.8067      0.00000
     12      13.0920      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8112      2.00000
      2       0.7615      2.00000
      3       4.4409      2.00000
      4       5.1532      1.99997
      5       6.6803      0.02861
      6       7.5820      0.00000
      7       8.0361      0.00000
      8       8.5398      0.00000
      9      10.1199      0.00000
     10      11.3248      0.00000
     11      12.1333      0.00000
     12      12.3820      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7611      2.00000
      2       0.8054      2.00000
      3       4.3670      2.00000
      4       4.6316      2.00000
      5       7.2192      0.00013
      6       7.6015      0.00000
      7       7.8499      0.00000
      8       8.4814      0.00000
      9      10.5673      0.00000
     10      11.3256      0.00000
     11      11.6435      0.00000
     12      12.4390      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6113      2.00000
      2       0.9336      2.00000
      3       3.4607      2.00000
      4       4.6608      2.00000
      5       6.7411      0.01568
      6       7.8598      0.00000
      7       8.0780      0.00000
      8       9.1165      0.00000
      9      10.5295      0.00000
     10      11.1483      0.00000
     11      11.6914      0.00000
     12      12.8336      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3646      2.00000
      2       1.1250      2.00000
      3       2.5055      2.00000
      4       4.8484      2.00000
      5       5.9080      1.94087
      6       8.0906      0.00000
      7       8.3536      0.00000
      8       9.6010      0.00000
      9      10.3463      0.00000
     10      11.5338      0.00000
     11      11.7871      0.00000
     12      12.8213      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0275      2.00000
      2       1.1886      2.00000
      3       1.8363      2.00000
      4       4.8119      2.00000
      5       5.4322      1.99948
      6       8.4031      0.00000
      7       8.4246      0.00000
      8       8.9558      0.00000
      9      11.1857      0.00000
     10      11.8018      0.00000
     11      12.0723      0.00000
     12      12.1296      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6206      2.00000
      2       0.6277      2.00000
      3       1.9615      2.00000
      4       4.2156      2.00000
      5       5.6978      1.99258
      6       7.8192      0.00000
      7       8.8176      0.00000
      8       9.0896      0.00000
      9      10.8198      0.00000
     10      11.4652      0.00000
     11      12.1682      0.00000
     12      12.6307      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2356      2.00000
      2       0.0785      2.00000
      3       2.2446      2.00000
      4       3.7378      2.00000
      5       6.0506      1.77487
      6       7.2786      0.00007
      7       9.1529      0.00000
      8       9.3808      0.00000
      9      10.3074      0.00000
     10      11.0856      0.00000
     11      12.3878      0.00000
     12      12.8763      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4223      2.00000
      2      -0.0140      2.00000
      3       4.8438      2.00000
      4       5.5677      1.99797
      5       6.7533      0.01390
      6       7.4481      0.00001
      7       7.7256      0.00000
      8       7.8850      0.00000
      9       9.3460      0.00000
     10      11.6125      0.00000
     11      12.7608      0.00000
     12      13.0902      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3713      2.00000
      2       0.0301      2.00000
      3       4.8066      2.00000
      4       4.9805      1.99999
      5       6.8273      0.00665
      6       7.2151      0.00014
      7       7.8635      0.00000
      8       8.3010      0.00000
      9       9.7605      0.00000
     10      11.6899      0.00000
     11      12.0821      0.00000
     12      13.2385      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2190      2.00000
      2       0.1606      2.00000
      3       3.8515      2.00000
      4       5.0173      1.99999
      5       6.0517      1.77271
      6       7.3023      0.00006
      7       8.2552      0.00000
      8       9.2747      0.00000
      9      10.4550      0.00000
     10      10.9429      0.00000
     11      12.3326      0.00000
     12      13.1530      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9675      2.00000
      2       0.3700      2.00000
      3       2.8544      2.00000
      4       4.9230      2.00000
      5       5.4857      1.99911
      6       7.5311      0.00001
      7       8.5202      0.00000
      8       9.9298      0.00000
      9      10.3446      0.00000
     10      11.2587      0.00000
     11      12.3494      0.00000
     12      12.8013      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6223      2.00000
      2       0.6325      2.00000
      3       1.9572      2.00000
      4       4.2172      2.00000
      5       5.6962      1.99270
      6       7.8236      0.00000
      7       8.8191      0.00000
      8       9.0832      0.00000
      9      10.8207      0.00000
     10      11.4678      0.00000
     11      12.1813      0.00000
     12      12.6174      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.2007      2.00000
      2       0.7685      2.00000
      3       1.3406      2.00000
      4       3.5419      2.00000
      5       6.0789      1.71182
      6       8.0140      0.00000
      7       8.4393      0.00000
      8       9.2118      0.00000
      9      10.6969      0.00000
     10      10.9761      0.00000
     11      11.7543      0.00000
     12      13.9289      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7856      2.00000
      2       0.3727      2.00000
      3       1.3984      2.00000
      4       3.0912      2.00000
      5       6.4686      0.21512
      6       7.5986      0.00000
      7       8.5645      0.00000
      8       9.5802      0.00000
      9      10.1451      0.00000
     10      10.7913      0.00000
     11      11.6492      0.00000
     12      13.8587      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0722      2.00000
      2      -0.5584      2.00000
      3       5.2409      1.99992
      4       5.9880      1.87289
      5       6.3420      0.59917
      6       7.1051      0.00041
      7       7.6154      0.00000
      8       8.1105      0.00000
      9       8.6793      0.00000
     10      11.4445      0.00000
     11      13.1031      0.00000
     12      14.1349      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0196      2.00000
      2      -0.5155      2.00000
      3       5.2822      1.99988
      4       5.2898      1.99987
      5       6.1790      1.37162
      6       6.7961      0.00908
      7       8.3183      0.00000
      8       8.3749      0.00000
      9       9.0378      0.00000
     10      11.5698      0.00000
     11      12.3641      0.00000
     12      13.8916      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8624      2.00000
      2      -0.3883      2.00000
      3       4.2264      2.00000
      4       5.2817      1.99988
      5       5.5662      1.99800
      6       6.8073      0.00812
      7       8.5568      0.00000
      8       9.4161      0.00000
      9       9.9489      0.00000
     10      11.2824      0.00000
     11      11.9836      0.00000
     12      13.0424      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.6016      2.00000
      2      -0.1826      2.00000
      3       3.1915      2.00000
      4       4.5208      2.00000
      5       5.7148      1.99121
      6       7.0045      0.00113
      7       8.8176      0.00000
      8       9.9976      0.00000
      9      10.3108      0.00000
     10      11.2955      0.00000
     11      11.8136      0.00000
     12      13.0934      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2407      2.00000
      2       0.0871      2.00000
      3       2.2378      2.00000
      4       3.7417      2.00000
      5       6.0457      1.78445
      6       7.2869      0.00007
      7       9.1537      0.00000
      8       9.3703      0.00000
      9      10.3109      0.00000
     10      11.0904      0.00000
     11      12.4016      0.00000
     12      12.8601      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7893      2.00000
      2       0.3822      2.00000
      3       1.3909      2.00000
      4       3.0932      2.00000
      5       6.4650      0.22217
      6       7.6082      0.00000
      7       8.5570      0.00000
      8       9.5775      0.00000
      9      10.1474      0.00000
     10      10.7958      0.00000
     11      11.6473      0.00000
     12      13.8602      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.3060      2.00000
      2       0.5573      2.00000
      3       0.7631      2.00000
      4       2.6850      2.00000
      5       6.9065      0.00302
      6       7.8170      0.00000
      7       7.9746      0.00000
      8       9.7175      0.00000
      9      10.0805      0.00000
     10      10.8054      0.00000
     11      11.0595      0.00000
     12      13.7192      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9907      2.00000
      2       1.7720      2.00000
      3       3.1240      2.00000
      4       4.9645      2.00000
      5       6.5700      0.08379
      6       7.9146      0.00000
      7       8.5939      0.00000
      8       9.6086      0.00000
      9      10.0218      0.00000
     10      10.9309      0.00000
     11      11.3385      0.00000
     12      12.6352      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9409      2.00000
      2       1.8169      2.00000
      3       3.1465      2.00000
      4       4.3618      2.00000
      5       7.1896      0.00018
      6       8.0215      0.00000
      7       8.4985      0.00000
      8       9.1919      0.00000
      9       9.8992      0.00000
     10      10.6009      0.00000
     11      11.9397      0.00000
     12      13.1306      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7922      2.00000
      2       1.9415      2.00000
      3       3.0428      2.00000
      4       3.6077      2.00000
      5       7.6321      0.00000
      6       7.9942      0.00000
      7       8.6168      0.00000
      8       9.0837      0.00000
      9       9.3086      0.00000
     10      10.5919      0.00000
     11      12.7753      0.00000
     12      13.6598      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5473      2.00000
      2       1.9693      2.00000
      3       2.4553      2.00000
      4       3.6292      2.00000
      5       6.8658      0.00453
      6       7.9166      0.00000
      7       8.5385      0.00000
      8       9.0995      0.00000
      9      10.0728      0.00000
     10      10.9292      0.00000
     11      13.0653      0.00000
     12      13.0754      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2135      2.00000
      2       1.2625      2.00000
      3       2.6077      2.00000
      4       3.8859      2.00000
      5       6.0130      1.83981
      6       7.3176      0.00005
      7       8.6480      0.00000
      8       9.4149      0.00000
      9      10.6290      0.00000
     10      11.8676      0.00000
     11      12.3520      0.00000
     12      12.6871      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8125      2.00000
      2       0.5023      2.00000
      3       2.9813      2.00000
      4       4.1954      2.00000
      5       5.2623      1.99990
      6       6.6644      0.03348
      7       8.9721      0.00000
      8       9.7738      0.00000
      9      10.8990      0.00000
     10      11.3847      0.00000
     11      12.0349      0.00000
     12      13.5860      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4392      2.00000
      2      -0.0576      2.00000
      3       3.3437      2.00000
      4       4.4069      2.00000
      5       4.7641      2.00000
      6       6.2220      1.17371
      7       9.2547      0.00000
      8      10.1339      0.00000
      9      10.8079      0.00000
     10      11.1127      0.00000
     11      11.5725      0.00000
     12      13.5008      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6617      2.00000
      2       0.8884      2.00000
      3       3.4263      2.00000
      4       5.2995      1.99986
      5       6.4585      0.23530
      6       7.4686      0.00001
      7       8.6835      0.00000
      8       8.8168      0.00000
      9      10.6517      0.00000
     10      11.2433      0.00000
     11      11.4902      0.00000
     12      12.5242      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6114      2.00000
      2       0.9334      2.00000
      3       3.4573      2.00000
      4       4.6648      2.00000
      5       6.7392      0.01598
      6       7.8652      0.00000
      7       8.0794      0.00000
      8       9.1121      0.00000
      9      10.5302      0.00000
     10      11.1512      0.00000
     11      11.6908      0.00000
     12      12.8302      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4615      2.00000
      2       1.0652      2.00000
      3       3.3988      2.00000
      4       3.8470      2.00000
      5       6.7360      0.01649
      6       7.3085      0.00005
      7       8.9230      0.00000
      8       9.3967      0.00000
      9       9.6681      0.00000
     10      11.8225      0.00000
     11      12.0294      0.00000
     12      12.9351      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2144      2.00000
      2       1.2649      2.00000
      3       2.6058      2.00000
      4       3.8851      2.00000
      5       6.0141      1.83815
      6       7.3192      0.00005
      7       8.6484      0.00000
      8       9.4133      0.00000
      9      10.6333      0.00000
     10      11.8634      0.00000
     11      12.3472      0.00000
     12      12.6912      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8766      2.00000
      2       1.3450      2.00000
      3       1.9427      2.00000
      4       4.1166      2.00000
      5       5.2404      1.99992
      6       7.3383      0.00004
      7       8.0493      0.00000
      8       9.7294      0.00000
      9      11.2791      0.00000
     10      11.8830      0.00000
     11      12.5398      0.00000
     12      12.7924      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4680      2.00000
      2       0.7722      2.00000
      3       2.0927      2.00000
      4       4.1384      2.00000
      5       4.8432      2.00000
      6       6.8513      0.00524
      7       8.1244      0.00000
      8      10.0376      0.00000
      9      10.6850      0.00000
     10      11.9986      0.00000
     11      12.8371      0.00000
     12      13.3274      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0793      2.00000
      2       0.2169      2.00000
      3       2.3942      2.00000
      4       3.7763      2.00000
      5       5.0101      1.99999
      6       6.3848      0.43595
      7       8.3438      0.00000
      8      10.0601      0.00000
      9      10.5387      0.00000
     10      11.6767      0.00000
     11      12.9985      0.00000
     12      13.6793      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2701      2.00000
      2       0.1156      2.00000
      3       3.8092      2.00000
      4       5.7136      1.99131
      5       5.9158      1.93619
      6       7.5811      0.00000
      7       7.8712      0.00000
      8       8.9530      0.00000
      9      10.1197      0.00000
     10      11.6266      0.00000
     11      12.2030      0.00000
     12      12.8405      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2191      2.00000
      2       0.1604      2.00000
      3       3.8479      2.00000
      4       5.0211      1.99999
      5       6.0494      1.77715
      6       7.3059      0.00006
      7       8.2606      0.00000
      8       9.2701      0.00000
      9      10.4556      0.00000
     10      10.9431      0.00000
     11      12.3295      0.00000
     12      13.1533      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0668      2.00000
      2       0.2931      2.00000
      3       3.8488      2.00000
      4       4.1346      2.00000
      5       5.9036      1.94331
      6       6.6936      0.02510
      7       9.3571      0.00000
      8       9.6936      0.00000
      9       9.9375      0.00000
     10      11.2612      0.00000
     11      12.1563      0.00000
     12      12.9748      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8151      2.00000
      2       0.5068      2.00000
      3       2.9778      2.00000
      4       4.1935      2.00000
      5       5.2648      1.99990
      6       6.6680      0.03231
      7       8.9712      0.00000
      8       9.7709      0.00000
      9      10.9020      0.00000
     10      11.3881      0.00000
     11      12.0389      0.00000
     12      13.5587      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4697      2.00000
      2       0.7771      2.00000
      3       2.0884      2.00000
      4       4.1391      2.00000
      5       4.8427      2.00000
      6       6.8552      0.00504
      7       8.1214      0.00000
      8      10.0367      0.00000
      9      10.6857      0.00000
     10      12.0011      0.00000
     11      12.8521      0.00000
     12      13.3114      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0473      2.00000
      2       0.9253      2.00000
      3       1.4711      2.00000
      4       3.5920      2.00000
      5       5.0833      1.99998
      6       6.9429      0.00210
      7       7.5425      0.00001
      8       9.8507      0.00000
      9      10.6228      0.00000
     10      12.2745      0.00000
     11      12.9036      0.00000
     12      14.0822      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6296      2.00000
      2       0.5199      2.00000
      3       1.5497      2.00000
      4       3.1515      2.00000
      5       5.4243      1.99952
      6       6.6078      0.05818
      7       7.5369      0.00001
      8       9.4975      0.00000
      9      10.9351      0.00000
     10      11.9938      0.00000
     11      12.9248      0.00000
     12      14.5635      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9150      2.00000
      2      -0.4320      2.00000
      3       4.1752      2.00000
      4       5.4082      1.99959
      5       6.1332      1.55060
      6       7.2519      0.00010
      7       7.7985      0.00000
      8       8.9605      0.00000
      9       9.8252      0.00000
     10      11.9787      0.00000
     11      11.9856      0.00000
     12      13.3907      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8625      2.00000
      2      -0.3884      2.00000
      3       4.2225      2.00000
      4       5.2820      1.99988
      5       5.5679      1.99797
      6       6.8105      0.00787
      7       8.5634      0.00000
      8       9.4154      0.00000
      9       9.9440      0.00000
     10      11.2828      0.00000
     11      11.9813      0.00000
     12      13.0423      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.7054      2.00000
      2      -0.2592      2.00000
      3       4.3544      2.00000
      4       4.3642      2.00000
      5       5.2038      1.99995
      6       6.2956      0.80956
      7       9.8271      0.00000
      8       9.8775      0.00000
      9      10.2673      0.00000
     10      10.5672      0.00000
     11      11.5979      0.00000
     12      12.9180      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4450      2.00000
      2      -0.0499      2.00000
      3       3.3373      2.00000
      4       4.4066      2.00000
      5       4.7660      2.00000
      6       6.2278      1.14535
      7       9.2519      0.00000
      8      10.1290      0.00000
      9      10.8113      0.00000
     10      11.1147      0.00000
     11      11.5812      0.00000
     12      13.5055      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0844      2.00000
      2       0.2255      2.00000
      3       2.3872      2.00000
      4       3.7800      2.00000
      5       5.0066      1.99999
      6       6.3917      0.41306
      7       8.3389      0.00000
      8      10.0628      0.00000
      9      10.5352      0.00000
     10      11.6815      0.00000
     11      13.0129      0.00000
     12      13.6618      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6334      2.00000
      2       0.5296      2.00000
      3       1.5420      2.00000
      4       3.1536      2.00000
      5       5.4215      1.99953
      6       6.6156      0.05396
      7       7.5309      0.00001
      8       9.4990      0.00000
      9      10.9323      0.00000
     10      11.9994      0.00000
     11      12.9230      0.00000
     12      14.5620      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1502      2.00000
      2       0.7144      2.00000
      3       0.9156      2.00000
      4       2.7449      2.00000
      5       5.8647      1.96121
      6       6.7436      0.01530
      7       6.9385      0.00219
      8       9.1458      0.00000
      9      11.3759      0.00000
     10      12.1290      0.00000
     11      12.3537      0.00000
     12      14.6351      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4152      2.00000
      2       1.0769      2.00000
      3       2.4648      2.00000
      4       5.5418      1.99843
      5       5.7125      1.99140
      6       7.5450      0.00001
      7       8.9165      0.00000
      8      10.0083      0.00000
      9      10.2097      0.00000
     10      11.0956      0.00000
     11      11.4301      0.00000
     12      12.6250      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3649      2.00000
      2       1.1244      2.00000
      3       2.5028      2.00000
      4       4.8519      2.00000
      5       5.9062      1.94188
      6       8.0963      0.00000
      7       8.3571      0.00000
      8       9.6022      0.00000
      9      10.3410      0.00000
     10      11.5366      0.00000
     11      11.7876      0.00000
     12      12.8235      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2146      2.00000
      2       1.2645      2.00000
      3       2.6034      2.00000
      4       3.8881      2.00000
      5       6.0121      1.84106
      6       7.3218      0.00005
      7       8.6494      0.00000
      8       9.4193      0.00000
      9      10.6266      0.00000
     10      11.8636      0.00000
     11      12.3496      0.00000
     12      12.6930      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9667      2.00000
      2       1.4834      2.00000
      3       2.5848      2.00000
      4       3.1502      2.00000
      5       5.9577      1.90458
      6       6.5474      0.10395
      7       7.8193      0.00000
      8      10.6611      0.00000
      9      10.8592      0.00000
     10      11.3768      0.00000
     11      12.5356      0.00000
     12      13.5749      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6274      2.00000
      2       1.6047      2.00000
      3       2.0817      2.00000
      4       3.2248      2.00000
      5       5.3127      1.99984
      6       6.3070      0.75537
      7       7.2565      0.00009
      8      10.3493      0.00000
      9      11.2263      0.00000
     10      12.2120      0.00000
     11      13.0065      0.00000
     12      13.9520      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2158      2.00000
      2       1.0081      2.00000
      3       2.2981      2.00000
      4       3.5054      2.00000
      5       4.5852      2.00000
      6       5.9175      1.93513
      7       7.2085      0.00015
      8       9.7520      0.00000
      9      11.6121      0.00000
     10      12.7683      0.00000
     11      13.6210      0.00000
     12      14.2417      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8200      2.00000
      2       0.4427      2.00000
      3       2.6402      2.00000
      4       3.7129      2.00000
      5       4.0823      2.00000
      6       5.5485      1.99833
      7       7.3411      0.00004
      8       9.3728      0.00000
      9      11.9745      0.00000
     10      12.8728      0.00000
     11      13.2997      0.00000
     12      14.9039      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0188      2.00000
      2       0.3234      2.00000
      3       2.8079      2.00000
      4       5.0259      1.99999
      5       5.9554      1.90665
      6       7.8120      0.00000
      7       8.1109      0.00000
      8       9.7726      0.00000
      9      10.5915      0.00000
     10      11.1172      0.00000
     11      12.1662      0.00000
     12      12.9294      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9678      2.00000
      2       0.3696      2.00000
      3       2.8513      2.00000
      4       4.9226      2.00000
      5       5.4879      1.99909
      6       7.5349      0.00001
      7       8.5262      0.00000
      8       9.9314      0.00000
      9      10.3445      0.00000
     10      11.2551      0.00000
     11      12.3497      0.00000
     12      12.8037      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8153      2.00000
      2       0.5065      2.00000
      3       2.9750      2.00000
      4       4.1963      2.00000
      5       5.2635      1.99990
      6       6.6704      0.03154
      7       8.9719      0.00000
      8       9.7775      0.00000
      9      10.8959      0.00000
     10      11.3901      0.00000
     11      12.0393      0.00000
     12      13.5570      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5635      2.00000
      2       0.7281      2.00000
      3       3.0392      2.00000
      4       3.3893      2.00000
      5       5.1101      1.99998
      6       6.0303      1.81228
      7       8.0337      0.00000
      8      10.4526      0.00000
      9      11.0941      0.00000
     10      11.5088      0.00000
     11      12.9398      0.00000
     12      13.9124      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2175      2.00000
      2       1.0130      2.00000
      3       2.2938      2.00000
      4       3.5042      2.00000
      5       4.5867      2.00000
      6       5.9208      1.93304
      7       7.2060      0.00015
      8       9.7534      0.00000
      9      11.6105      0.00000
     10      12.7736      0.00000
     11      13.6248      0.00000
     12      14.2308      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7934      2.00000
      2       1.1858      2.00000
      3       1.6800      2.00000
      4       3.5578      2.00000
      5       4.2300      2.00000
      6       5.9066      1.94165
      7       6.6374      0.04361
      8       9.1752      0.00000
      9      12.0146      0.00000
     10      13.6266      0.00000
     11      14.1882      0.00000
     12      14.3717      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3710      2.00000
      2       0.7619      2.00000
      3       1.7997      2.00000
      4       3.2325      2.00000
      5       4.4086      2.00000
      6       5.6372      1.99594
      7       6.5301      0.12239
      8       8.8333      0.00000
      9      12.3943      0.00000
     10      13.3715      0.00000
     11      14.3185      0.00000
     12      14.8286      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6543      2.00000
      2      -0.2277      2.00000
      3       3.1390      2.00000
      4       4.5184      2.00000
      5       6.3740      0.47378
      6       7.4938      0.00001
      7       8.0589      0.00000
      8       9.4718      0.00000
      9      10.9498      0.00000
     10      11.2453      0.00000
     11      12.3700      0.00000
     12      12.4832      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6019      2.00000
      2      -0.1830      2.00000
      3       3.1882      2.00000
      4       4.5188      2.00000
      5       5.7189      1.99084
      6       7.0080      0.00110
      7       8.8242      0.00000
      8      10.0012      0.00000
      9      10.3122      0.00000
     10      11.2876      0.00000
     11      11.8133      0.00000
     12      13.0913      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4451      2.00000
      2      -0.0502      2.00000
      3       3.3341      2.00000
      4       4.4069      2.00000
      5       4.7679      2.00000
      6       6.2299      1.13505
      7       9.2525      0.00000
      8      10.1362      0.00000
      9      10.8139      0.00000
     10      11.1124      0.00000
     11      11.5759      0.00000
     12      13.5017      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1852      2.00000
      2       0.1656      2.00000
      3       3.5518      2.00000
      4       3.5847      2.00000
      5       4.3999      2.00000
      6       5.6779      1.99391
      7       8.2559      0.00000
      8      10.0689      0.00000
      9      11.5933      0.00000
     10      11.6301      0.00000
     11      12.2990      0.00000
     12      14.0121      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8252      2.00000
      2       0.4515      2.00000
      3       2.6328      2.00000
      4       3.7121      2.00000
      5       4.0846      2.00000
      6       5.5541      1.99823
      7       7.3370      0.00004
      8       9.3755      0.00000
      9      11.9701      0.00000
     10      12.8748      0.00000
     11      13.3106      0.00000
     12      14.9080      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3749      2.00000
      2       0.7719      2.00000
      3       1.7915      2.00000
      4       3.2346      2.00000
      5       4.4065      2.00000
      6       5.6435      1.99568
      7       6.5254      0.12794
      8       8.8344      0.00000
      9      12.3913      0.00000
     10      13.3771      0.00000
     11      14.3250      0.00000
     12      14.8185      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1084      2.00000
      2       0.9752      2.00000
      3       1.1677      2.00000
      4       2.8348      2.00000
      5       4.8416      2.00000
      6       5.7051      1.99202
      7       5.9241      1.93086
      8       8.5260      0.00000
      9      12.8363      0.00000
     10      13.5704      0.00000
     11      13.7827      0.00000
     12      15.8095      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6740      2.00000
      2       0.5830      2.00000
      3       1.9104      2.00000
      4       4.2083      2.00000
      5       6.2895      0.83902
      6       8.1275      0.00000
      7       8.4351      0.00000
      8       9.6652      0.00000
      9      10.1369      0.00000
     10      11.5175      0.00000
     11      11.9952      0.00000
     12      12.4913      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6229      2.00000
      2       0.6317      2.00000
      3       1.9549      2.00000
      4       4.2156      2.00000
      5       5.6999      1.99242
      6       7.8271      0.00000
      7       8.8249      0.00000
      8       9.0854      0.00000
      9      10.8254      0.00000
     10      11.4693      0.00000
     11      12.1841      0.00000
     12      12.6102      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4702      2.00000
      2       0.7764      2.00000
      3       2.0862      2.00000
      4       4.1390      2.00000
      5       4.8444      2.00000
      6       6.8578      0.00491
      7       8.1228      0.00000
      8      10.0429      0.00000
      9      10.6876      0.00000
     10      12.0033      0.00000
     11      12.8467      0.00000
     12      13.3153      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2178      2.00000
      2       1.0126      2.00000
      3       2.2919      2.00000
      4       3.5062      2.00000
      5       4.5859      2.00000
      6       5.9224      1.93196
      7       7.2067      0.00015
      8       9.7541      0.00000
      9      11.6177      0.00000
     10      12.7674      0.00000
     11      13.6278      0.00000
     12      14.2314      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8705      2.00000
      2       1.3245      2.00000
      3       2.4200      2.00000
      4       2.8119      2.00000
      5       4.5042      2.00000
      6       5.2017      1.99995
      7       6.4037      0.37503
      8       9.0758      0.00000
      9      12.9861      0.00000
     10      13.3071      0.00000
     11      14.6498      0.00000
     12      14.6626      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4433      2.00000
      2       1.5482      2.00000
      3       1.9402      2.00000
      4       2.9847      2.00000
      5       4.0297      2.00000
      6       4.9516      2.00000
      7       5.8227      1.97435
      8       8.5488      0.00000
      9      13.5318      0.00000
     10      14.5106      0.00000
     11      15.1253      0.00000
     12      15.2162      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0125      2.00000
      2       1.0906      2.00000
      3       2.1429      2.00000
      4       3.2178      2.00000
      5       3.5656      2.00000
      6       4.7717      2.00000
      7       5.6044      1.99708
      8       8.2520      0.00000
      9      13.9349      0.00000
     10      14.7562      0.00000
     11      15.1508      0.00000
     12      15.7622      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2935      2.00000
      2       0.0397      2.00000
      3       2.1851      2.00000
      4       3.7227      2.00000
      5       6.7075      0.02187
      6       7.8234      0.00000
      7       8.4116      0.00000
      8       9.7731      0.00000
      9      10.0242      0.00000
     10      11.4287      0.00000
     11      11.6706      0.00000
     12      12.7821      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2412      2.00000
      2       0.0863      2.00000
      3       2.2352      2.00000
      4       3.7402      2.00000
      5       6.0496      1.77673
      6       7.2903      0.00007
      7       9.1599      0.00000
      8       9.3725      0.00000
      9      10.3156      0.00000
     10      11.0919      0.00000
     11      12.4057      0.00000
     12      12.8509      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0848      2.00000
      2       0.2249      2.00000
      3       2.3847      2.00000
      4       3.7788      2.00000
      5       5.0099      1.99999
      6       6.3941      0.40504
      7       8.3402      0.00000
      8      10.0650      0.00000
      9      10.5418      0.00000
     10      11.6858      0.00000
     11      13.0039      0.00000
     12      13.6665      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8255      2.00000
      2       0.4511      2.00000
      3       2.6305      2.00000
      4       3.7125      2.00000
      5       4.0861      2.00000
      6       5.5555      1.99821
      7       7.3376      0.00004
      8       9.3762      0.00000
      9      11.9780      0.00000
     10      12.8766      0.00000
     11      13.3040      0.00000
     12      14.9037      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4662      2.00000
      2       0.7537      2.00000
      3       2.9344      2.00000
      4       2.9900      2.00000
      5       3.7907      2.00000
      6       4.9696      1.99999
      7       6.4149      0.34205
      8       8.7370      0.00000
      9      13.4548      0.00000
     10      13.5721      0.00000
     11      14.1569      0.00000
     12      15.4872      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0166      2.00000
      2       1.1010      2.00000
      3       2.1339      2.00000
      4       3.2166      2.00000
      5       3.5683      2.00000
      6       4.7760      2.00000
      7       5.6010      1.99717
      8       8.2529      0.00000
      9      13.9313      0.00000
     10      14.7588      0.00000
     11      15.1677      0.00000
     12      15.7454      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4672      2.00000
      2       1.3380      2.00000
      3       1.5142      2.00000
      4       2.9365      2.00000
      5       3.9006      2.00000
      6       4.7484      2.00000
      7       4.9908      1.99999
      8       7.9867      0.00000
      9      14.3746      0.00000
     10      15.0518      0.00000
     11      15.2665      0.00000
     12      16.4013      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8423      2.00000
      2       0.3315      2.00000
      3       1.3382      2.00000
      4       3.0707      2.00000
      5       7.1230      0.00035
      6       8.2170      0.00000
      7       8.8494      0.00000
      8       9.2144      0.00000
      9       9.9540      0.00000
     10      10.6249      0.00000
     11      10.9007      0.00000
     12      13.4458      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7902      2.00000
      2       0.3810      2.00000
      3       1.3888      2.00000
      4       3.0923      2.00000
      5       6.4686      0.21514
      6       7.6113      0.00000
      7       8.5595      0.00000
      8       9.5835      0.00000
      9      10.1507      0.00000
     10      10.8002      0.00000
     11      11.6522      0.00000
     12      13.8633      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6342      2.00000
      2       0.5285      2.00000
      3       1.5400      2.00000
      4       3.1529      2.00000
      5       5.4245      1.99952
      6       6.6180      0.05273
      7       7.5328      0.00001
      8       9.5010      0.00000
      9      10.9391      0.00000
     10      12.0050      0.00000
     11      12.9285      0.00000
     12      14.5529      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3755      2.00000
      2       0.7710      2.00000
      3       1.7898      2.00000
      4       3.2341      2.00000
      5       4.4089      2.00000
      6       5.6451      1.99561
      7       6.5266      0.12649
      8       8.8356      0.00000
      9      12.3989      0.00000
     10      13.3831      0.00000
     11      14.3311      0.00000
     12      14.8090      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0170      2.00000
      2       1.1005      2.00000
      3       2.1325      2.00000
      4       3.2171      2.00000
      5       3.5693      2.00000
      6       4.7768      2.00000
      7       5.6016      1.99716
      8       8.2534      0.00000
      9      13.9397      0.00000
     10      14.7630      0.00000
     11      15.1597      0.00000
     12      15.7515      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4323      2.00000
      2       1.4925      2.00000
      3       2.5175      2.00000
      4       2.5872      2.00000
      5       3.3827      2.00000
      6       4.1219      2.00000
      7       4.7873      2.00000
      8       7.8217      0.00000
      9      15.3941      0.00000
     10      15.6055      0.00000
     11      16.0023      0.00000
     12      16.8458      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9184      2.00000
      2       1.7969      2.00000
      3       1.9383      2.00000
      4       2.9358      2.00000
      5       3.1587      2.00000
      6       3.8902      2.00000
      7       4.1648      2.00000
      8       7.5895      0.00000
      9      15.9242      0.00000
     10      16.4619      0.00000
     11      16.7037      0.00000
     12      16.8326      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.263  -0.000  -0.000  -0.000
  5.263  22.370  -0.000  -0.000  -0.000
 -0.000  -0.000  -0.285   0.000  -0.000
 -0.000  -0.000   0.000  -0.285   0.000
 -0.000  -0.000  -0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.074  -0.022   0.000   0.001   0.000
 -0.022   0.000   0.000  -0.000   0.000
  0.000   0.000   0.093   0.000   0.000
  0.001  -0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1761: real time    0.1761
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3413: real time    0.3413
    STRESS:  cpu time    4.1347: real time    4.1385
    FORCOR:  cpu time    0.0473: real time    0.0473
    FORHAR:  cpu time    0.0126: real time    0.0126
    MIXING:  cpu time    0.0056: real time    0.0056
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.28471   -72.29467   -72.44174    -0.00000    -0.00000     0.00000
  Hartree     1.15484     1.15113     1.11106    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42544   -27.42528   -27.42379    -0.00000     0.00000    -0.00000
  Local      -4.09412    -4.08323    -3.88053     0.00000     0.00000    -0.00000
  n-local    58.93206    58.93070    58.91168     0.25673     0.02345     0.18943
  augment    -3.03556    -3.03535    -3.03408     0.00000    -0.00000     0.00000
  Kinetic    46.89823    46.88862    46.89620    -3.61245    -0.58090    -2.94446
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03206     0.01869     0.02556     0.00000     0.00000     0.00000
  in kB       0.78696     0.45876     0.62745     0.00000     0.00000     0.00000
  external pressure =        0.62 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.854E-16 -.356E-15 -.137E+00   -.182E-15 -.217E-16 0.148E+00   0.167E-19 -.109E-19 -.178E-01   0.114E-09 0.722E-06 -.358E-04
   -.509E-14 0.331E-13 -.196E+01   0.986E-15 -.114E-14 0.154E+01   0.244E-18 0.448E-19 0.648E+00   -.902E-09 -.505E-05 -.345E-03
   -.443E-14 -.325E-13 0.104E+01   0.424E-16 -.194E-15 -.845E+00   0.100E-19 -.209E-20 -.307E+00   -.862E-09 0.546E-05 0.217E-03
   -.152E-14 -.286E-14 0.104E+01   -.987E-15 0.128E-14 -.846E+00   0.140E-20 0.374E-19 -.308E+00   0.912E-09 -.597E-05 0.225E-03
 -----------------------------------------------------------------------------------------------
   -.111E-13 -.262E-14 -.157E-01   -.139E-15 -.670E-16 -.333E-15   0.272E-18 0.692E-19 0.156E-01   -.737E-09 -.484E-05 0.613E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000     -0.006426
      2.01274      2.01342     -0.05000        -0.000000     -0.000000      0.232197
      2.01274      0.00000      2.01342         0.000000      0.000000     -0.112733
      0.00000      2.01342      2.01342        -0.000000     -0.000000     -0.113038
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000005     -0.000047


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54790241 eV

  energy  without entropy=      -13.50786633  energy(sigma->0) =      -13.52788437
 
 d Force =-0.9691496E-05[-0.232E-01, 0.232E-01]  d Energy =-0.2255385E-06-0.947E-05
 d Force = 0.1387779E-16[-0.154E+00, 0.154E+00]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0568: real time    0.0568


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:  11/ 13
  Displacement:        2/  2
  Total:              22/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_4v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_4v.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    196 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      4.000000
  0.076923  0.076923  0.000000      8.000000
  0.153846  0.076923  0.000000      8.000000
  0.230769  0.076923  0.000000      8.000000
  0.307692  0.076923  0.000000      8.000000
  0.384615  0.076923  0.000000      8.000000
  0.461538  0.076923  0.000000      8.000000
  0.000000  0.153846  0.000000      4.000000
  0.076923  0.153846  0.000000      8.000000
  0.153846  0.153846  0.000000      8.000000
  0.230769  0.153846  0.000000      8.000000
  0.307692  0.153846  0.000000      8.000000
  0.384615  0.153846  0.000000      8.000000
  0.461538  0.153846  0.000000      8.000000
  0.000000  0.230769  0.000000      4.000000
  0.076923  0.230769  0.000000      8.000000
  0.153846  0.230769  0.000000      8.000000
  0.230769  0.230769  0.000000      8.000000
  0.307692  0.230769  0.000000      8.000000
  0.384615  0.230769  0.000000      8.000000
  0.461538  0.230769  0.000000      8.000000
  0.000000  0.307692  0.000000      4.000000
  0.076923  0.307692  0.000000      8.000000
  0.153846  0.307692  0.000000      8.000000
  0.230769  0.307692  0.000000      8.000000
  0.307692  0.307692  0.000000      8.000000
  0.384615  0.307692  0.000000      8.000000
  0.461538  0.307692  0.000000      8.000000
  0.000000  0.384615  0.000000      4.000000
  0.076923  0.384615  0.000000      8.000000
  0.153846  0.384615  0.000000      8.000000
  0.230769  0.384615  0.000000      8.000000
  0.307692  0.384615  0.000000      8.000000
  0.384615  0.384615  0.000000      8.000000
  0.461538  0.384615  0.000000      8.000000
  0.000000  0.461538  0.000000      4.000000
  0.076923  0.461538  0.000000      8.000000
  0.153846  0.461538  0.000000      8.000000
  0.230769  0.461538  0.000000      8.000000
  0.307692  0.461538  0.000000      8.000000
  0.384615  0.461538  0.000000      8.000000
  0.461538  0.461538  0.000000      8.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      8.000000
  0.076923  0.153846  0.076923     16.000000
  0.153846  0.153846  0.076923     16.000000
  0.230769  0.153846  0.076923     16.000000
  0.307692  0.153846  0.076923     16.000000
  0.384615  0.153846  0.076923     16.000000
  0.461538  0.153846  0.076923     16.000000
  0.000000  0.230769  0.076923      8.000000
  0.076923  0.230769  0.076923     16.000000
  0.153846  0.230769  0.076923     16.000000
  0.230769  0.230769  0.076923     16.000000
  0.307692  0.230769  0.076923     16.000000
  0.384615  0.230769  0.076923     16.000000
  0.461538  0.230769  0.076923     16.000000
  0.000000  0.307692  0.076923      8.000000
  0.076923  0.307692  0.076923     16.000000
  0.153846  0.307692  0.076923     16.000000
  0.230769  0.307692  0.076923     16.000000
  0.307692  0.307692  0.076923     16.000000
  0.384615  0.307692  0.076923     16.000000
  0.461538  0.307692  0.076923     16.000000
  0.000000  0.384615  0.076923      8.000000
  0.076923  0.384615  0.076923     16.000000
  0.153846  0.384615  0.076923     16.000000
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 Following cartesian coordinates:
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  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.2496: real time    0.2620
    FEWALD:  cpu time    0.0019: real time    0.0019
    GENKIN:  cpu time    0.0397: real time    0.0397
    ORTHCH:  cpu time    1.2766: real time    1.2766
     LOOP+:  cpu time  125.4111: real time  125.4831


--------------------------------------- Iteration     24(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0493: real time    0.0500
    SETDIJ:  cpu time    0.0042: real time    0.0042
     EDDAV:  cpu time   12.5640: real time   12.5665
       DOS:  cpu time    0.0110: real time    0.0110
    CHARGE:  cpu time    0.1083: real time    0.1083
    MIXING:  cpu time    0.0041: real time    0.0041
    --------------------------------------------
      LOOP:  cpu time   12.7409: real time   12.7442

 eigenvalue-minimisations  :  4732
 total energy-change (2. order) :-0.2200867E-03  (-0.5798096E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060975 magnetization 

 Broyden mixing:
  rms(total) = 0.16819E-01    rms(broyden)= 0.16818E-01
  rms(prec ) = 0.49368E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41188728
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80092998
  PAW double counting   =       428.99130301     -327.64447007
  entropy T*S    EENTRO =        -0.04002520
  eigenvalues    EBANDS =        22.57670974
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54811668 eV

  energy without entropy =      -13.50809149  energy(sigma->0) =      -13.52810409


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0507: real time    0.0511
    SETDIJ:  cpu time    0.0044: real time    0.0044
     EDDAV:  cpu time   14.4445: real time   14.4508
       DOS:  cpu time    0.0136: real time    0.0136
    CHARGE:  cpu time    0.1071: real time    0.1071
    MIXING:  cpu time    0.0033: real time    0.0033
    --------------------------------------------
      LOOP:  cpu time   14.6237: real time   14.6303

 eigenvalue-minimisations  :  5952
 total energy-change (2. order) :-0.4387318E-03  (-0.1956227E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060368 magnetization 

 Broyden mixing:
  rms(total) = 0.95271E-02    rms(broyden)= 0.95271E-02
  rms(prec ) = 0.26003E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9268
  0.9268

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41492090
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80079346
  PAW double counting   =       428.87618074     -327.52934814
  entropy T*S    EENTRO =        -0.04003330
  eigenvalues    EBANDS =        22.57917656
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54855542 eV

  energy without entropy =      -13.50852212  energy(sigma->0) =      -13.52853877


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0521: real time    0.0525
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   13.7019: real time   13.7081
       DOS:  cpu time    0.0119: real time    0.0119
    CHARGE:  cpu time    0.1062: real time    0.1062
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time   13.8799: real time   13.8865

 eigenvalue-minimisations  :  5560
 total energy-change (2. order) : 0.5283452E-03  (-0.1588045E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060273 magnetization 

 Broyden mixing:
  rms(total) = 0.41622E-02    rms(broyden)= 0.41622E-02
  rms(prec ) = 0.95009E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6509
  1.1292  2.1726

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41714062
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80064246
  PAW double counting   =       428.59424919     -327.24742826
  entropy T*S    EENTRO =        -0.04003882
  eigenvalues    EBANDS =        22.58179081
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54802707 eV

  energy without entropy =      -13.50798825  energy(sigma->0) =      -13.52800766


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0470: real time    0.0473
    SETDIJ:  cpu time    0.0032: real time    0.0032
     EDDAV:  cpu time   13.3213: real time   13.3276
       DOS:  cpu time    0.0158: real time    0.0158
    CHARGE:  cpu time    0.1077: real time    0.1078
    MIXING:  cpu time    0.0060: real time    0.0060
    --------------------------------------------
      LOOP:  cpu time   13.5010: real time   13.5076

 eigenvalue-minimisations  :  5768
 total energy-change (2. order) : 0.9048721E-04  (-0.2363730E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060179 magnetization 

 Broyden mixing:
  rms(total) = 0.18167E-02    rms(broyden)= 0.18167E-02
  rms(prec ) = 0.48009E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7801
  1.0400  1.5786  2.7217

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41698936
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80065017
  PAW double counting   =       428.67825100     -327.33141855
  entropy T*S    EENTRO =        -0.04003809
  eigenvalues    EBANDS =        22.58172550
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54793658 eV

  energy without entropy =      -13.50789850  energy(sigma->0) =      -13.52791754


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0496: real time    0.0498
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   13.3026: real time   13.3089
       DOS:  cpu time    0.0118: real time    0.0118
    CHARGE:  cpu time    0.1089: real time    0.1089
    MIXING:  cpu time    0.0045: real time    0.0045
    --------------------------------------------
      LOOP:  cpu time   13.4808: real time   13.4873

 eigenvalue-minimisations  :  5172
 total energy-change (2. order) : 0.4251320E-04  (-0.1500982E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060160 magnetization 

 Broyden mixing:
  rms(total) = 0.43653E-03    rms(broyden)= 0.43653E-03
  rms(prec ) = 0.87576E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6587
  2.8309  0.9719  1.4585  1.3736

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41692618
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80064184
  PAW double counting   =       428.97342482     -327.62659081
  entropy T*S    EENTRO =        -0.04003720
  eigenvalues    EBANDS =        22.58169406
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54789407 eV

  energy without entropy =      -13.50785687  energy(sigma->0) =      -13.52787547


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0480: real time    0.0482
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   14.4851: real time   14.4912
       DOS:  cpu time    0.0130: real time    0.0130
    --------------------------------------------
      LOOP:  cpu time   14.5494: real time   14.5558

 eigenvalue-minimisations  :  6092
 total energy-change (2. order) :-0.1342140E-05  (-0.1459657E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060160 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41695529
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80063766
  PAW double counting   =       429.00928409     -327.66245070
  entropy T*S    EENTRO =        -0.04003716
  eigenvalues    EBANDS =        22.58171822
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54789541 eV

  energy without entropy =      -13.50785825  energy(sigma->0) =      -13.52787683


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2477       2 -74.2396       3 -74.2396       4 -74.2380
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5662     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6260      2.00000
      2       4.3261      2.00000
      3       4.3261      2.00000
      4       4.3353      2.00000
      5       5.5475      1.99834
      6       5.5541      1.99823
      7       7.5963      0.00000
      8      12.5008      0.00000
      9      12.5008      0.00000
     10      12.5110      0.00000
     11      12.8065      0.00000
     12      12.8221      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5768      2.00000
      2       3.6468      2.00000
      3       4.3751      2.00000
      4       4.3751      2.00000
      5       5.6004      1.99719
      6       6.1588      1.45529
      7       7.7966      0.00000
      8      11.5763      0.00000
      9      11.5763      0.00000
     10      12.1687      0.00000
     11      12.8548      0.00000
     12      12.9853      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4298      2.00000
      2       2.6177      2.00000
      3       4.5217      2.00000
      4       4.5217      2.00000
      5       5.7587      1.98639
      6       6.7608      0.01289
      7       8.5694      0.00000
      8      10.4597      0.00000
      9      10.4597      0.00000
     10      11.4057      0.00000
     11      12.8222      0.00000
     12      12.9981      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1883      2.00000
      2       1.6242      2.00000
      3       4.7646      2.00000
      4       4.7646      2.00000
      5       6.0215      1.82670
      6       7.0435      0.00077
      7       9.4237      0.00000
      8       9.4237      0.00000
      9       9.8391      0.00000
     10      10.5260      0.00000
     11      12.3406      0.00000
     12      13.2308      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8607      2.00000
      2       0.7203      2.00000
      3       5.1001      1.99998
      4       5.1001      1.99998
      5       6.3870      0.42870
      6       7.2174      0.00014
      7       8.4894      0.00000
      8       8.4894      0.00000
      9       9.6536      0.00000
     10      11.2182      0.00000
     11      12.0346      0.00000
     12      13.5388      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4722      2.00000
      2      -0.0561      2.00000
      3       5.5151      1.99880
      4       5.5151      1.99880
      5       6.8515      0.00523
      6       7.3428      0.00004
      7       7.6741      0.00000
      8       7.6741      0.00000
      9       8.8368      0.00000
     10      11.4212      0.00000
     11      13.1471      0.00000
     12      13.8838      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1232      2.00000
      2      -0.6000      2.00000
      3       5.9362      1.92232
      4       5.9362      1.92232
      5       7.0525      0.00070
      6       7.0525      0.00070
      7       7.4016      0.00002
      8       7.4131      0.00002
      9       8.1073      0.00000
     10      11.2719      0.00000
     11      14.1571      0.00000
     12      14.5151      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5767      2.00000
      2       3.6388      2.00000
      3       4.3751      2.00000
      4       4.3845      2.00000
      5       5.6053      1.99705
      6       6.1532      1.47703
      7       7.7959      0.00000
      8      11.5688      0.00000
      9      11.5752      0.00000
     10      12.1724      0.00000
     11      12.8637      0.00000
     12      12.9910      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5651      2.00000
      3       3.8394      2.00000
      4       4.4241      2.00000
      5       5.9325      1.92506
      6       6.5066      0.15240
      7       7.9488      0.00000
      8      10.8401      0.00000
      9      11.4699      0.00000
     10      11.8615      0.00000
     11      12.3588      0.00000
     12      12.8466      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3803      2.00000
      2       2.6501      2.00000
      3       3.8786      2.00000
      4       4.5707      2.00000
      5       6.1429      1.51615
      6       7.1334      0.00031
      7       8.6181      0.00000
      8       9.8318      0.00000
      9      10.5002      0.00000
     10      11.7945      0.00000
     11      11.8373      0.00000
     12      12.8715      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1386      2.00000
      2       1.6654      2.00000
      3       4.1127      2.00000
      4       4.8136      2.00000
      5       6.3868      0.42911
      6       7.4347      0.00002
      7       8.8257      0.00000
      8       9.4707      0.00000
      9       9.9006      0.00000
     10      10.9729      0.00000
     11      12.0613      0.00000
     12      12.5121      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8106      2.00000
      2       0.7639      2.00000
      3       4.4413      2.00000
      4       5.1490      1.99997
      5       6.6759      0.02989
      6       7.5829      0.00000
      7       8.0368      0.00000
      8       8.5377      0.00000
      9      10.1188      0.00000
     10      11.3331      0.00000
     11      12.1334      0.00000
     12      12.3783      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4212      2.00000
      2      -0.0122      2.00000
      3       4.8446      2.00000
      4       5.5638      1.99805
      5       6.7522      0.01404
      6       7.4460      0.00001
      7       7.7229      0.00000
      8       7.8848      0.00000
      9       9.3448      0.00000
     10      11.6124      0.00000
     11      12.7576      0.00000
     12      13.0980      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0706      2.00000
      2      -0.5573      2.00000
      3       5.2424      1.99992
      4       5.9847      1.87684
      5       6.3424      0.59728
      6       7.1017      0.00043
      7       7.6107      0.00000
      8       8.1099      0.00000
      9       8.6790      0.00000
     10      11.4435      0.00000
     11      13.1003      0.00000
     12      14.1306      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4297      2.00000
      2       2.6105      2.00000
      3       4.5218      2.00000
      4       4.5312      2.00000
      5       5.7636      1.98572
      6       6.7572      0.01336
      7       8.5663      0.00000
      8      10.4522      0.00000
      9      10.4607      0.00000
     10      11.4075      0.00000
     11      12.8102      0.00000
     12      13.0072      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3803      2.00000
      2       2.6432      2.00000
      3       3.8864      2.00000
      4       4.5707      2.00000
      5       6.1457      1.50578
      6       7.1328      0.00031
      7       8.6156      0.00000
      8       9.8324      0.00000
      9      10.4929      0.00000
     10      11.7923      0.00000
     11      11.8453      0.00000
     12      12.8844      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2328      2.00000
      2       2.5828      2.00000
      3       3.0715      2.00000
      4       4.7172      2.00000
      5       6.4072      0.36434
      6       8.0461      0.00000
      7       8.6553      0.00000
      8       9.1573      0.00000
      9      10.4914      0.00000
     10      10.8482      0.00000
     11      11.8447      0.00000
     12      12.6323      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9903      2.00000
      2       1.7751      2.00000
      3       3.1242      2.00000
      4       4.9600      2.00000
      5       6.5657      0.08739
      6       7.9163      0.00000
      7       8.5950      0.00000
      8       9.6072      0.00000
      9      10.0283      0.00000
     10      10.9268      0.00000
     11      11.3355      0.00000
     12      12.6311      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6610      2.00000
      2       0.8909      2.00000
      3       3.4267      2.00000
      4       5.2953      1.99987
      5       6.4577      0.23700
      6       7.4661      0.00001
      7       8.6814      0.00000
      8       8.8169      0.00000
      9      10.6499      0.00000
     10      11.2395      0.00000
     11      11.4973      0.00000
     12      12.5234      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2690      2.00000
      2       0.1174      2.00000
      3       3.8101      2.00000
      4       5.7097      1.99164
      5       5.9167      1.93566
      6       7.5763      0.00000
      7       7.8685      0.00000
      8       8.9520      0.00000
      9      10.1187      0.00000
     10      11.6232      0.00000
     11      12.2032      0.00000
     12      12.8426      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9134      2.00000
      2      -0.4308      2.00000
      3       4.1767      2.00000
      4       5.4087      1.99959
      5       6.1299      1.56220
      6       7.2485      0.00010
      7       7.7934      0.00000
      8       8.9577      0.00000
      9       9.8264      0.00000
     10      11.9759      0.00000
     11      11.9853      0.00000
     12      13.3860      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1881      2.00000
      2       1.6175      2.00000
      3       4.7648      2.00000
      4       4.7744      2.00000
      5       6.0263      1.81901
      6       7.0413      0.00079
      7       9.4165      0.00000
      8       9.4257      0.00000
      9       9.8361      0.00000
     10      10.5273      0.00000
     11      12.3280      0.00000
     12      13.2404      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1384      2.00000
      2       1.6587      2.00000
      3       4.1209      2.00000
      4       4.8138      2.00000
      5       6.3898      0.41928
      6       7.4352      0.00002
      7       8.8285      0.00000
      8       9.4635      0.00000
      9       9.8968      0.00000
     10      10.9712      0.00000
     11      12.0698      0.00000
     12      12.5080      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9902      2.00000
      2       1.7689      2.00000
      3       3.1310      2.00000
      4       4.9602      2.00000
      5       6.5661      0.08700
      6       7.9156      0.00000
      7       8.6012      0.00000
      8       9.6001      0.00000
      9      10.0243      0.00000
     10      10.9346      0.00000
     11      11.3296      0.00000
     12      12.6447      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7464      2.00000
      2       1.7618      2.00000
      3       2.3760      2.00000
      4       5.2028      1.99995
      5       6.3585      0.53243
      6       7.4617      0.00001
      7       9.7060      0.00000
      8       9.7372      0.00000
      9      10.0246      0.00000
     10      10.3520      0.00000
     11      11.2943      0.00000
     12      12.4482      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4146      2.00000
      2       1.0794      2.00000
      3       2.4653      2.00000
      4       5.5376      1.99850
      5       5.7139      1.99129
      6       7.5401      0.00001
      7       8.9144      0.00000
      8      10.0072      0.00000
      9      10.2059      0.00000
     10      11.0938      0.00000
     11      11.4336      0.00000
     12      12.6253      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0177      2.00000
      2       0.3253      2.00000
      3       2.8088      2.00000
      4       5.0271      1.99999
      5       5.9516      1.91001
      6       7.8068      0.00000
      7       8.1081      0.00000
      8       9.7693      0.00000
      9      10.5881      0.00000
     10      11.1177      0.00000
     11      12.1625      0.00000
     12      12.9268      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6528      2.00000
      2      -0.2265      2.00000
      3       3.1405      2.00000
      4       4.5189      2.00000
      5       6.3707      0.48599
      6       7.4904      0.00001
      7       8.0538      0.00000
      8       9.4677      0.00000
      9      10.9469      0.00000
     10      11.2469      0.00000
     11      12.3667      0.00000
     12      12.4786      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8602      2.00000
      2       0.7137      2.00000
      3       5.1007      1.99998
      4       5.1103      1.99998
      5       6.3916      0.41340
      6       7.2155      0.00014
      7       8.4821      0.00000
      8       8.4922      0.00000
      9       9.6548      0.00000
     10      11.2276      0.00000
     11      12.0092      0.00000
     12      13.5492      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8101      2.00000
      2       0.7572      2.00000
      3       4.4500      2.00000
      4       5.1496      1.99997
      5       6.6780      0.02927
      6       7.5826      0.00000
      7       8.0418      0.00000
      8       8.5304      0.00000
      9      10.1190      0.00000
     10      11.3388      0.00000
     11      12.1155      0.00000
     12      12.3873      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6605      2.00000
      2       0.8843      2.00000
      3       3.4343      2.00000
      4       5.2958      1.99987
      5       6.4577      0.23701
      6       7.4667      0.00001
      7       8.6740      0.00000
      8       8.8234      0.00000
      9      10.6490      0.00000
     10      11.2479      0.00000
     11      11.4912      0.00000
     12      12.5334      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4142      2.00000
      2       1.0733      2.00000
      3       2.4718      2.00000
      4       5.5380      1.99849
      5       5.7138      1.99130
      6       7.5404      0.00001
      7       8.9070      0.00000
      8      10.0121      0.00000
      9      10.2138      0.00000
     10      11.0874      0.00000
     11      11.4363      0.00000
     12      12.6311      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0780      2.00000
      2       1.1364      2.00000
      3       1.7989      2.00000
      4       4.9144      2.00000
      5       5.8724      1.95817
      6       7.7973      0.00000
      7       9.1163      0.00000
      8       9.3976      0.00000
      9      10.4700      0.00000
     10      11.3122      0.00000
     11      11.9630      0.00000
     12      12.7784      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6730      2.00000
      2       0.5849      2.00000
      3       1.9114      2.00000
      4       4.2095      2.00000
      5       6.2857      0.85773
      6       8.1222      0.00000
      7       8.4324      0.00000
      8       9.6617      0.00000
      9      10.1324      0.00000
     10      11.5130      0.00000
     11      11.9925      0.00000
     12      12.4926      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2919      2.00000
      2       0.0410      2.00000
      3       2.1866      2.00000
      4       3.7232      2.00000
      5       6.7042      0.02261
      6       7.8200      0.00000
      7       8.4064      0.00000
      8       9.7683      0.00000
      9      10.0212      0.00000
     10      11.4254      0.00000
     11      11.6655      0.00000
     12      12.7837      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4708      2.00000
      2      -0.0634      2.00000
      3       5.5168      1.99878
      4       5.5267      1.99866
      5       6.8555      0.00502
      6       7.3390      0.00004
      7       7.6659      0.00000
      8       7.6791      0.00000
      9       8.8377      0.00000
     10      11.4249      0.00000
     11      13.1271      0.00000
     12      13.8957      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4199      2.00000
      2      -0.0195      2.00000
      3       4.8544      2.00000
      4       5.5656      1.99802
      5       6.7513      0.01417
      6       7.4477      0.00001
      7       7.7147      0.00000
      8       7.8909      0.00000
      9       9.3450      0.00000
     10      11.6173      0.00000
     11      12.7678      0.00000
     12      13.0827      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2677      2.00000
      2       0.1102      2.00000
      3       3.8187      2.00000
      4       5.7114      1.99150
      5       5.9160      1.93609
      6       7.5771      0.00000
      7       7.8602      0.00000
      8       8.9580      0.00000
      9      10.1182      0.00000
     10      11.6328      0.00000
     11      12.2113      0.00000
     12      12.8446      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0165      2.00000
      2       0.3180      2.00000
      3       2.8166      2.00000
      4       5.0264      1.99999
      5       5.9531      1.90867
      6       7.8072      0.00000
      7       8.0997      0.00000
      8       9.7708      0.00000
      9      10.5973      0.00000
     10      11.1154      0.00000
     11      12.1766      0.00000
     12      12.9258      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6721      2.00000
      2       0.5781      2.00000
      3       1.9183      2.00000
      4       4.2090      2.00000
      5       6.2869      0.85209
      6       8.1225      0.00000
      7       8.4236      0.00000
      8       9.6708      0.00000
      9      10.1315      0.00000
     10      11.5084      0.00000
     11      11.9916      0.00000
     12      12.5123      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2520      2.00000
      2       0.7161      2.00000
      3       1.2964      2.00000
      4       3.5210      2.00000
      5       6.6998      0.02361
      6       8.4981      0.00000
      7       8.7231      0.00000
      8       8.9547      0.00000
      9      10.1842      0.00000
     10      11.0367      0.00000
     11      11.1911      0.00000
     12      13.5220      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8408      2.00000
      2       0.3329      2.00000
      3       1.3398      2.00000
      4       3.0712      2.00000
      5       7.1197      0.00036
      6       8.2136      0.00000
      7       8.8442      0.00000
      8       9.2114      0.00000
      9       9.9489      0.00000
     10      10.6216      0.00000
     11      10.8956      0.00000
     12      13.4420      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1200      2.00000
      2      -0.6089      2.00000
      3       5.9415      1.91827
      4       5.9521      1.90958
      5       7.0410      0.00079
      6       7.0411      0.00079
      7       7.4124      0.00002
      8       7.4187      0.00002
      9       8.1046      0.00000
     10      11.2720      0.00000
     11      14.1711      0.00000
     12      14.5287      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5663      2.00000
      3       5.2553      1.99991
      4       5.9900      1.87059
      5       6.3385      0.61409
      6       7.0901      0.00048
      7       7.6115      0.00000
      8       8.1202      0.00000
      9       8.6762      0.00000
     10      11.4444      0.00000
     11      13.1131      0.00000
     12      14.1435      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9102      2.00000
      2      -0.4399      2.00000
      3       4.1876      2.00000
      4       5.4059      1.99960
      5       6.1351      1.54402
      6       7.2369      0.00011
      7       7.7942      0.00000
      8       8.9616      0.00000
      9       9.8288      0.00000
     10      11.9881      0.00000
     11      11.9882      0.00000
     12      13.3991      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6495      2.00000
      2      -0.2357      2.00000
      3       3.1503      2.00000
      4       4.5166      2.00000
      5       6.3758      0.46748
      6       7.4785      0.00001
      7       8.0546      0.00000
      8       9.4670      0.00000
      9      10.9588      0.00000
     10      11.2479      0.00000
     11      12.3632      0.00000
     12      12.4942      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2888      2.00000
      2       0.0315      2.00000
      3       2.1956      2.00000
      4       3.7213      2.00000
      5       6.7089      0.02157
      6       7.8076      0.00000
      7       8.4073      0.00000
      8       9.7658      0.00000
      9      10.0330      0.00000
     10      11.4219      0.00000
     11      11.6620      0.00000
     12      12.8054      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8382      2.00000
      2       0.3231      2.00000
      3       1.3483      2.00000
      4       3.0701      2.00000
      5       7.1233      0.00035
      6       8.2002      0.00000
      7       8.8451      0.00000
      8       9.2239      0.00000
      9       9.9459      0.00000
     10      10.6191      0.00000
     11      10.8976      0.00000
     12      13.4424      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3580      2.00000
      2       0.5049      2.00000
      3       0.7121      2.00000
      4       2.6642      2.00000
      5       7.5533      0.00000
      6       8.5268      0.00000
      7       8.6286      0.00000
      8       9.3143      0.00000
      9      10.0077      0.00000
     10      10.0549      0.00000
     11      10.2866      0.00000
     12      13.3365      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5609      2.00000
      3       3.8355      2.00000
      4       4.4340      2.00000
      5       5.9360      1.92245
      6       6.5018      0.15934
      7       7.9483      0.00000
      8      10.8326      0.00000
      9      11.4738      0.00000
     10      11.8663      0.00000
     11      12.3646      0.00000
     12      12.8501      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4780      2.00000
      2       3.6116      2.00000
      3       3.6172      2.00000
      4       4.0633      2.00000
      5       6.5521      0.09946
      6       6.5585      0.09361
      7       8.0733      0.00000
      8      10.7449      0.00000
      9      10.7490      0.00000
     10      11.3263      0.00000
     11      12.6498      0.00000
     12      13.3163      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3308      2.00000
      2       2.6859      2.00000
      3       3.7635      2.00000
      4       4.1203      2.00000
      5       6.7018      0.02314
      6       7.2995      0.00006
      7       8.6624      0.00000
      8       9.7013      0.00000
      9      10.0570      0.00000
     10      11.1884      0.00000
     11      12.2584      0.00000
     12      13.2464      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0889      2.00000
      2       1.7073      2.00000
      3       4.0154      2.00000
      4       4.3331      2.00000
      5       6.9442      0.00207
      6       7.5934      0.00000
      7       8.6992      0.00000
      8       9.0960      0.00000
      9       9.9722      0.00000
     10      11.3700      0.00000
     11      11.4265      0.00000
     12      12.7848      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7605      2.00000
      2       0.8078      2.00000
      3       4.3652      2.00000
      4       4.6301      2.00000
      5       7.2167      0.00014
      6       7.6003      0.00000
      7       7.8494      0.00000
      8       8.4810      0.00000
      9      10.5663      0.00000
     10      11.3312      0.00000
     11      11.6425      0.00000
     12      12.4386      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3703      2.00000
      2       0.0318      2.00000
      3       4.8052      2.00000
      4       4.9794      1.99999
      5       6.8268      0.00669
      6       7.2143      0.00014
      7       7.8607      0.00000
      8       8.2995      0.00000
      9       9.7588      0.00000
     10      11.6881      0.00000
     11      12.0805      0.00000
     12      13.2471      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0181      2.00000
      2      -0.5144      2.00000
      3       5.2822      1.99988
      4       5.2881      1.99988
      5       6.1779      1.37621
      6       6.7951      0.00917
      7       8.3168      0.00000
      8       8.3723      0.00000
      9       9.0356      0.00000
     10      11.5681      0.00000
     11      12.3615      0.00000
     12      13.8889      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3802      2.00000
      2       2.6430      2.00000
      3       3.8786      2.00000
      4       4.5807      2.00000
      5       6.1472      1.50021
      6       7.1296      0.00032
      7       8.6154      0.00000
      8       9.8245      0.00000
      9      10.5020      0.00000
     10      11.7812      0.00000
     11      11.8623      0.00000
     12      12.8803      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3308      2.00000
      2       2.6790      2.00000
      3       3.7676      2.00000
      4       4.1242      2.00000
      5       6.7065      0.02211
      6       7.2967      0.00006
      7       8.6601      0.00000
      8       9.6990      0.00000
      9      10.0527      0.00000
     10      11.1962      0.00000
     11      12.2599      0.00000
     12      13.2339      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1832      2.00000
      2       2.6343      2.00000
      3       3.0700      2.00000
      4       4.1423      2.00000
      5       7.0869      0.00050
      6       8.0868      0.00000
      7       8.7045      0.00000
      8       9.0967      0.00000
      9       9.8192      0.00000
     10      10.4920      0.00000
     11      12.4835      0.00000
     12      13.1065      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9406      2.00000
      2       1.8199      2.00000
      3       3.1465      2.00000
      4       4.3579      2.00000
      5       7.1862      0.00018
      6       8.0218      0.00000
      7       8.4985      0.00000
      8       9.1922      0.00000
      9       9.9016      0.00000
     10      10.6011      0.00000
     11      11.9372      0.00000
     12      13.1264      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6108      2.00000
      2       0.9358      2.00000
      3       3.4576      2.00000
      4       4.6612      2.00000
      5       6.7402      0.01583
      6       7.8609      0.00000
      7       8.0775      0.00000
      8       9.1122      0.00000
      9      10.5272      0.00000
     10      11.1495      0.00000
     11      11.6980      0.00000
     12      12.8304      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2181      2.00000
      2       0.1622      2.00000
      3       3.8487      2.00000
      4       5.0180      1.99999
      5       6.0503      1.77552
      6       7.3035      0.00006
      7       8.2554      0.00000
      8       9.2700      0.00000
      9      10.4535      0.00000
     10      10.9402      0.00000
     11      12.3299      0.00000
     12      13.1591      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8610      2.00000
      2      -0.3873      2.00000
      3       4.2240      2.00000
      4       5.2809      1.99988
      5       5.5663      1.99800
      6       6.8078      0.00808
      7       8.5581      0.00000
      8       9.4132      0.00000
      9       9.9442      0.00000
     10      11.2801      0.00000
     11      11.9802      0.00000
     12      13.0401      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1384      2.00000
      2       1.6587      2.00000
      3       4.1129      2.00000
      4       4.8238      2.00000
      5       6.3909      0.41559
      6       7.4327      0.00002
      7       8.8199      0.00000
      8       9.4729      0.00000
      9       9.8970      0.00000
     10      10.9725      0.00000
     11      12.0719      0.00000
     12      12.5043      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0887      2.00000
      2       1.7006      2.00000
      3       4.0196      2.00000
      4       4.3375      2.00000
      5       6.9485      0.00199
      6       7.5924      0.00000
      7       8.6978      0.00000
      8       9.0945      0.00000
      9       9.9663      0.00000
     10      11.3643      0.00000
     11      11.4425      0.00000
     12      12.7737      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9404      2.00000
      2       1.8136      2.00000
      3       3.1533      2.00000
      4       4.3582      2.00000
      5       7.1864      0.00018
      6       8.0216      0.00000
      7       8.5023      0.00000
      8       9.1883      0.00000
      9       9.8994      0.00000
     10      10.6051      0.00000
     11      11.9336      0.00000
     12      13.1388      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6964      2.00000
      2       1.8137      2.00000
      3       2.4040      2.00000
      4       4.5709      2.00000
      5       6.6604      0.03481
      6       7.9136      0.00000
      7       8.9543      0.00000
      8       9.4176      0.00000
      9       9.9122      0.00000
     10      10.6798      0.00000
     11      11.9756      0.00000
     12      12.8222      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3643      2.00000
      2       1.1268      2.00000
      3       2.5032      2.00000
      4       4.8486      2.00000
      5       5.9075      1.94114
      6       8.0914      0.00000
      7       8.3545      0.00000
      8       9.5989      0.00000
      9      10.3411      0.00000
     10      11.5356      0.00000
     11      11.7915      0.00000
     12      12.8203      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9668      2.00000
      2       0.3714      2.00000
      3       2.8522      2.00000
      4       4.9224      2.00000
      5       5.4859      1.99911
      6       7.5323      0.00001
      7       8.5207      0.00000
      8       9.9281      0.00000
      9      10.3420      0.00000
     10      11.2546      0.00000
     11      12.3479      0.00000
     12      12.8006      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6004      2.00000
      2      -0.1818      2.00000
      3       3.1897      2.00000
      4       4.5192      2.00000
      5       5.7160      1.99111
      6       7.0051      0.00113
      7       8.8187      0.00000
      8       9.9968      0.00000
      9      10.3094      0.00000
     10      11.2888      0.00000
     11      11.8110      0.00000
     12      13.0893      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8101      2.00000
      2       0.7572      2.00000
      3       4.4418      2.00000
      4       5.1598      1.99997
      5       6.6789      0.02903
      6       7.5817      0.00000
      7       8.0315      0.00000
      8       8.5405      0.00000
      9      10.1196      0.00000
     10      11.3382      0.00000
     11      12.1128      0.00000
     12      12.3899      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7600      2.00000
      2       0.8011      2.00000
      3       4.3696      2.00000
      4       4.6351      2.00000
      5       7.2177      0.00013
      6       7.6011      0.00000
      7       7.8492      0.00000
      8       8.4798      0.00000
      9      10.5657      0.00000
     10      11.3335      0.00000
     11      11.6529      0.00000
     12      12.4208      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6104      2.00000
      2       0.9292      2.00000
      3       3.4651      2.00000
      4       4.6617      2.00000
      5       6.7398      0.01589
      6       7.8603      0.00000
      7       8.0755      0.00000
      8       9.1155      0.00000
      9      10.5325      0.00000
     10      11.1515      0.00000
     11      11.6950      0.00000
     12      12.8263      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3639      2.00000
      2       1.1207      2.00000
      3       2.5097      2.00000
      4       4.8489      2.00000
      5       5.9074      1.94119
      6       8.0912      0.00000
      7       8.3493      0.00000
      8       9.6041      0.00000
      9      10.3473      0.00000
     10      11.5390      0.00000
     11      11.7807      0.00000
     12      12.8257      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0275      2.00000
      2       1.1886      2.00000
      3       1.8363      2.00000
      4       4.8119      2.00000
      5       5.4322      1.99948
      6       8.4032      0.00000
      7       8.4246      0.00000
      8       8.9558      0.00000
      9      11.1858      0.00000
     10      11.8019      0.00000
     11      12.0719      0.00000
     12      12.1299      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6219      2.00000
      2       0.6335      2.00000
      3       1.9559      2.00000
      4       4.2166      2.00000
      5       5.6966      1.99267
      6       7.8245      0.00000
      7       8.8193      0.00000
      8       9.0822      0.00000
      9      10.8209      0.00000
     10      11.4666      0.00000
     11      12.1799      0.00000
     12      12.6117      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2397      2.00000
      2       0.0876      2.00000
      3       2.2367      2.00000
      4       3.7407      2.00000
      5       6.0466      1.78269
      6       7.2873      0.00007
      7       9.1546      0.00000
      8       9.3695      0.00000
      9      10.3107      0.00000
     10      11.0889      0.00000
     11      12.4005      0.00000
     12      12.8526      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4199      2.00000
      2      -0.0195      2.00000
      3       4.8459      2.00000
      4       5.5761      1.99780
      5       6.7489      0.01452
      6       7.4445      0.00001
      7       7.7260      0.00000
      8       7.8855      0.00000
      9       9.3444      0.00000
     10      11.6155      0.00000
     11      12.7699      0.00000
     12      13.0827      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3689      2.00000
      2       0.0245      2.00000
      3       4.8102      2.00000
      4       4.9855      1.99999
      5       6.8225      0.00698
      6       7.2123      0.00014
      7       7.8669      0.00000
      8       8.2999      0.00000
      9       9.7581      0.00000
     10      11.6929      0.00000
     11      12.0911      0.00000
     12      13.2272      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2168      2.00000
      2       0.1549      2.00000
      3       3.8572      2.00000
      4       5.0193      1.99999
      5       6.0493      1.77744
      6       7.2979      0.00006
      7       8.2563      0.00000
      8       9.2755      0.00000
      9      10.4489      0.00000
     10      10.9531      0.00000
     11      12.3390      0.00000
     12      13.1449      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9656      2.00000
      2       0.3641      2.00000
      3       2.8600      2.00000
      4       4.9223      2.00000
      5       5.4864      1.99910
      6       7.5262      0.00001
      7       8.5203      0.00000
      8       9.9343      0.00000
      9      10.3448      0.00000
     10      11.2579      0.00000
     11      12.3455      0.00000
     12      12.8105      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6210      2.00000
      2       0.6266      2.00000
      3       1.9629      2.00000
      4       4.2161      2.00000
      5       5.6974      1.99261
      6       7.8183      0.00000
      7       8.8174      0.00000
      8       9.0906      0.00000
      9      10.8196      0.00000
     10      11.4664      0.00000
     11      12.1698      0.00000
     12      12.6362      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.2007      2.00000
      2       0.7684      2.00000
      3       1.3406      2.00000
      4       3.5419      2.00000
      5       6.0789      1.71183
      6       8.0139      0.00000
      7       8.4393      0.00000
      8       9.2118      0.00000
      9      10.6969      0.00000
     10      10.9761      0.00000
     11      11.7543      0.00000
     12      13.9272      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7888      2.00000
      2       0.3824      2.00000
      3       1.3904      2.00000
      4       3.0928      2.00000
      5       6.4656      0.22110
      6       7.6082      0.00000
      7       8.5567      0.00000
      8       9.5781      0.00000
      9      10.1472      0.00000
     10      10.7952      0.00000
     11      11.6470      0.00000
     12      13.8591      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0674      2.00000
      2      -0.5663      2.00000
      3       5.2460      1.99992
      4       6.0014      1.85600
      5       6.3341      0.63301
      6       7.0950      0.00046
      7       7.6162      0.00000
      8       8.1171      0.00000
      9       8.6732      0.00000
     10      11.4431      0.00000
     11      13.1152      0.00000
     12      14.1413      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2      -0.5234      2.00000
      3       5.2780      1.99989
      4       5.3096      1.99985
      5       6.1699      1.41022
      6       6.7906      0.00959
      7       8.3167      0.00000
      8       8.3846      0.00000
      9       9.0301      0.00000
     10      11.5686      0.00000
     11      12.3746      0.00000
     12      13.8852      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8577      2.00000
      2      -0.3964      2.00000
      3       4.2349      2.00000
      4       5.2825      1.99988
      5       5.5643      1.99804
      6       6.8004      0.00870
      7       8.5590      0.00000
      8       9.4196      0.00000
      9       9.9418      0.00000
     10      11.2930      0.00000
     11      11.9825      0.00000
     12      13.0378      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5972      2.00000
      2      -0.1911      2.00000
      3       3.1995      2.00000
      4       4.5169      2.00000
      5       5.7188      1.99085
      6       6.9967      0.00123
      7       8.8191      0.00000
      8       9.9965      0.00000
      9      10.3163      0.00000
     10      11.2967      0.00000
     11      11.8092      0.00000
     12      13.0961      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2366      2.00000
      2       0.0780      2.00000
      3       2.2457      2.00000
      4       3.7388      2.00000
      5       6.0497      1.77672
      6       7.2782      0.00007
      7       9.1521      0.00000
      8       9.3816      0.00000
      9      10.3075      0.00000
     10      11.0870      0.00000
     11      12.3891      0.00000
     12      12.8836      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7861      2.00000
      2       0.3725      2.00000
      3       1.3989      2.00000
      4       3.0917      2.00000
      5       6.4681      0.21622
      6       7.5986      0.00000
      7       8.5648      0.00000
      8       9.5797      0.00000
      9      10.1453      0.00000
     10      10.7918      0.00000
     11      11.6496      0.00000
     12      13.8598      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3060      2.00000
      2       0.5573      2.00000
      3       0.7631      2.00000
      4       2.6850      2.00000
      5       6.9065      0.00302
      6       7.8170      0.00000
      7       7.9746      0.00000
      8       9.7175      0.00000
      9      10.0805      0.00000
     10      10.8054      0.00000
     11      11.0595      0.00000
     12      13.7191      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2327      2.00000
      2       2.5788      2.00000
      3       3.0684      2.00000
      4       4.7273      2.00000
      5       6.4101      0.35591
      6       8.0437      0.00000
      7       8.6492      0.00000
      8       9.1532      0.00000
      9      10.4971      0.00000
     10      10.8529      0.00000
     11      11.8517      0.00000
     12      12.6340      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1831      2.00000
      2       2.6304      2.00000
      3       3.0677      2.00000
      4       4.1499      2.00000
      5       7.0911      0.00048
      6       8.0846      0.00000
      7       8.6984      0.00000
      8       9.0946      0.00000
      9       9.8216      0.00000
     10      10.4972      0.00000
     11      12.4880      0.00000
     12      13.1116      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0352      2.00000
      2       2.7846      2.00000
      3       2.7899      2.00000
      4       3.5468      2.00000
      5       8.1574      0.00000
      6       8.1580      0.00000
      7       8.8439      0.00000
      8       8.8550      0.00000
      9       8.8575      0.00000
     10      10.1773      0.00000
     11      13.0604      0.00000
     12      13.7778      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7920      2.00000
      2       1.9443      2.00000
      3       3.0409      2.00000
      4       3.6065      2.00000
      5       7.6328      0.00000
      6       7.9943      0.00000
      7       8.6133      0.00000
      8       9.0806      0.00000
      9       9.3105      0.00000
     10      10.5960      0.00000
     11      12.7749      0.00000
     12      13.6601      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4610      2.00000
      2       1.0674      2.00000
      3       3.3972      2.00000
      4       3.8459      2.00000
      5       6.7364      0.01643
      6       7.3085      0.00005
      7       8.9194      0.00000
      8       9.3938      0.00000
      9       9.6664      0.00000
     10      11.8306      0.00000
     11      12.0281      0.00000
     12      12.9341      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2       0.2948      2.00000
      3       3.8475      2.00000
      4       4.1339      2.00000
      5       5.9035      1.94340
      6       6.6932      0.02521
      7       9.3538      0.00000
      8       9.6913      0.00000
      9       9.9350      0.00000
     10      11.2592      0.00000
     11      12.1546      0.00000
     12      12.9767      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7040      2.00000
      2      -0.2582      2.00000
      3       4.3539      2.00000
      4       4.3635      2.00000
      5       5.2030      1.99995
      6       6.2948      0.81379
      7       9.8252      0.00000
      8       9.8744      0.00000
      9      10.2651      0.00000
     10      10.5646      0.00000
     11      11.5954      0.00000
     12      12.9164      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9901      2.00000
      2       1.7685      2.00000
      3       3.1243      2.00000
      4       4.9703      1.99999
      5       6.5677      0.08572
      6       7.9136      0.00000
      7       8.5916      0.00000
      8       9.6096      0.00000
      9      10.0246      0.00000
     10      10.9340      0.00000
     11      11.3392      0.00000
     12      12.6389      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9404      2.00000
      2       1.8133      2.00000
      3       3.1469      2.00000
      4       4.3661      2.00000
      5       7.1879      0.00018
      6       8.0206      0.00000
      7       8.4977      0.00000
      8       9.1922      0.00000
      9       9.8995      0.00000
     10      10.6069      0.00000
     11      11.9389      0.00000
     12      13.1351      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7918      2.00000
      2       1.9380      2.00000
      3       3.0449      2.00000
      4       3.6096      2.00000
      5       7.6294      0.00000
      6       7.9952      0.00000
      7       8.6149      0.00000
      8       9.0837      0.00000
      9       9.3122      0.00000
     10      10.5937      0.00000
     11      12.7754      0.00000
     12      13.6504      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5473      2.00000
      2       1.9693      2.00000
      3       2.4553      2.00000
      4       3.6292      2.00000
      5       6.8658      0.00453
      6       7.9166      0.00000
      7       8.5385      0.00000
      8       9.0995      0.00000
      9      10.0728      0.00000
     10      10.9293      0.00000
     11      13.0654      0.00000
     12      13.0754      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2141      2.00000
      2       1.2668      2.00000
      3       2.6035      2.00000
      4       3.8853      2.00000
      5       6.0137      1.83875
      6       7.3205      0.00005
      7       8.6465      0.00000
      8       9.4131      0.00000
      9      10.6274      0.00000
     10      11.8681      0.00000
     11      12.3501      0.00000
     12      12.6908      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8145      2.00000
      2       0.5082      2.00000
      3       2.9757      2.00000
      4       4.1940      2.00000
      5       5.2641      1.99990
      6       6.6688      0.03206
      7       8.9693      0.00000
      8       9.7712      0.00000
      9      10.8959      0.00000
     10      11.3877      0.00000
     11      12.0372      0.00000
     12      13.5633      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4438      2.00000
      2      -0.0491      2.00000
      3       3.3355      2.00000
      4       4.4061      2.00000
      5       4.7664      2.00000
      6       6.2279      1.14470
      7       9.2503      0.00000
      8      10.1301      0.00000
      9      10.8104      0.00000
     10      11.1106      0.00000
     11      11.5760      0.00000
     12      13.5015      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6605      2.00000
      2       0.8842      2.00000
      3       3.4272      2.00000
      4       5.3061      1.99985
      5       6.4556      0.24160
      6       7.4659      0.00001
      7       8.6836      0.00000
      8       8.8171      0.00000
      9      10.6517      0.00000
     10      11.2512      0.00000
     11      11.4917      0.00000
     12      12.5257      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6103      2.00000
      2       0.9291      2.00000
      3       3.4582      2.00000
      4       4.6697      2.00000
      5       6.7365      0.01641
      6       7.8581      0.00000
      7       8.0859      0.00000
      8       9.1112      0.00000
      9      10.5342      0.00000
     10      11.1544      0.00000
     11      11.6948      0.00000
     12      12.8219      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4605      2.00000
      2       1.0608      2.00000
      3       3.4014      2.00000
      4       3.8497      2.00000
      5       6.7338      0.01687
      6       7.3066      0.00006
      7       8.9216      0.00000
      8       9.3962      0.00000
      9       9.6753      0.00000
     10      11.8273      0.00000
     11      12.0290      0.00000
     12      12.9299      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2137      2.00000
      2       1.2606      2.00000
      3       2.6100      2.00000
      4       3.8857      2.00000
      5       6.0134      1.83921
      6       7.3163      0.00005
      7       8.6499      0.00000
      8       9.4151      0.00000
      9      10.6349      0.00000
     10      11.8629      0.00000
     11      12.3491      0.00000
     12      12.6875      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8766      2.00000
      2       1.3450      2.00000
      3       1.9427      2.00000
      4       4.1166      2.00000
      5       5.2404      1.99992
      6       7.3383      0.00004
      7       8.0493      0.00000
      8       9.7294      0.00000
      9      11.2791      0.00000
     10      11.8830      0.00000
     11      12.5397      0.00000
     12      12.7925      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4693      2.00000
      2       0.7781      2.00000
      3       2.0870      2.00000
      4       4.1388      2.00000
      5       4.8429      2.00000
      6       6.8559      0.00501
      7       8.1203      0.00000
      8      10.0369      0.00000
      9      10.6852      0.00000
     10      11.9995      0.00000
     11      12.8469      0.00000
     12      13.3120      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0834      2.00000
      2       0.2261      2.00000
      3       2.3861      2.00000
      4       3.7791      2.00000
      5       5.0076      1.99999
      6       6.3918      0.41255
      7       8.3379      0.00000
      8      10.0620      0.00000
      9      10.5360      0.00000
     10      11.6806      0.00000
     11      13.0055      0.00000
     12      13.6608      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2676      2.00000
      2       0.1101      2.00000
      3       3.8113      2.00000
      4       5.7220      1.99055
      5       5.9115      1.93878
      6       7.5744      0.00000
      7       7.8737      0.00000
      8       8.9546      0.00000
      9      10.1174      0.00000
     10      11.6353      0.00000
     11      12.2063      0.00000
     12      12.8434      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2167      2.00000
      2       0.1549      2.00000
      3       3.8499      2.00000
      4       5.0270      1.99999
      5       6.0460      1.78378
      6       7.3019      0.00006
      7       8.2629      0.00000
      8       9.2708      0.00000
      9      10.4517      0.00000
     10      10.9520      0.00000
     11      12.3358      0.00000
     12      13.1461      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0645      2.00000
      2       0.2875      2.00000
      3       3.8524      2.00000
      4       4.1385      2.00000
      5       5.9004      1.94507
      6       6.6902      0.02597
      7       9.3562      0.00000
      8       9.6917      0.00000
      9       9.9485      0.00000
     10      11.2592      0.00000
     11      12.1570      0.00000
     12      12.9805      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8132      2.00000
      2       0.5009      2.00000
      3       2.9834      2.00000
      4       4.1949      2.00000
      5       5.2630      1.99990
      6       6.6636      0.03375
      7       8.9739      0.00000
      8       9.7735      0.00000
      9      10.9051      0.00000
     10      11.3851      0.00000
     11      12.0366      0.00000
     12      13.5808      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4684      2.00000
      2       0.7712      2.00000
      3       2.0941      2.00000
      4       4.1387      2.00000
      5       4.8430      2.00000
      6       6.8506      0.00528
      7       8.1256      0.00000
      8      10.0374      0.00000
      9      10.6854      0.00000
     10      12.0003      0.00000
     11      12.8422      0.00000
     12      13.3269      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0473      2.00000
      2       0.9253      2.00000
      3       1.4712      2.00000
      4       3.5920      2.00000
      5       5.0834      1.99998
      6       6.9429      0.00210
      7       7.5425      0.00001
      8       9.8507      0.00000
      9      10.6228      0.00000
     10      12.2745      0.00000
     11      12.9036      0.00000
     12      14.0820      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6329      2.00000
      2       0.5298      2.00000
      3       1.5415      2.00000
      4       3.1532      2.00000
      5       5.4220      1.99953
      6       6.6155      0.05400
      7       7.5306      0.00001
      8       9.4986      0.00000
      9      10.9329      0.00000
     10      11.9990      0.00000
     11      12.9227      0.00000
     12      14.5547      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9101      2.00000
      2      -0.4399      2.00000
      3       4.1796      2.00000
      4       5.4015      1.99962
      5       6.1468      1.50169
      6       7.2418      0.00011
      7       7.7990      0.00000
      8       8.9638      0.00000
      9       9.8219      0.00000
     10      11.9772      0.00000
     11      11.9982      0.00000
     12      13.3917      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8577      2.00000
      2      -0.3964      2.00000
      3       4.2269      2.00000
      4       5.2834      1.99988
      5       5.5692      1.99794
      6       6.8044      0.00836
      7       8.5654      0.00000
      8       9.4195      0.00000
      9       9.9373      0.00000
     10      11.2937      0.00000
     11      11.9799      0.00000
     12      13.0365      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7007      2.00000
      2      -0.2674      2.00000
      3       4.3505      2.00000
      4       4.3818      2.00000
      5       5.1957      1.99995
      6       6.2908      0.83276
      7       9.8272      0.00000
      8       9.8786      0.00000
      9      10.2786      0.00000
     10      10.5638      0.00000
     11      11.5949      0.00000
     12      12.9157      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4404      2.00000
      2      -0.0585      2.00000
      3       3.3455      2.00000
      4       4.4075      2.00000
      5       4.7636      2.00000
      6       6.2218      1.17438
      7       9.2563      0.00000
      8      10.1328      0.00000
      9      10.8087      0.00000
     10      11.1167      0.00000
     11      11.5778      0.00000
     12      13.5048      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0802      2.00000
      2       0.2164      2.00000
      3       2.3954      2.00000
      4       3.7773      2.00000
      5       5.0092      1.99999
      6       6.3847      0.43652
      7       8.3447      0.00000
      8      10.0609      0.00000
      9      10.5378      0.00000
     10      11.6776      0.00000
     11      13.0059      0.00000
     12      13.6804      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6302      2.00000
      2       0.5197      2.00000
      3       1.5503      2.00000
      4       3.1520      2.00000
      5       5.4238      1.99952
      6       6.6079      0.05814
      7       7.5372      0.00001
      8       9.4979      0.00000
      9      10.9344      0.00000
     10      11.9942      0.00000
     11      12.9252      0.00000
     12      14.5708      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1502      2.00000
      2       0.7144      2.00000
      3       0.9156      2.00000
      4       2.7449      2.00000
      5       5.8647      1.96122
      6       6.7436      0.01530
      7       6.9385      0.00219
      8       9.1458      0.00000
      9      11.3759      0.00000
     10      12.1291      0.00000
     11      12.3537      0.00000
     12      14.6351      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7462      2.00000
      2       1.7581      2.00000
      3       2.3732      2.00000
      4       5.2131      1.99994
      5       6.3564      0.54049
      6       7.4613      0.00001
      7       9.7067      0.00000
      8       9.7393      0.00000
      9      10.0294      0.00000
     10      10.3501      0.00000
     11      11.3009      0.00000
     12      12.4458      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6963      2.00000
      2       1.8100      2.00000
      3       2.4013      2.00000
      4       4.5791      2.00000
      5       6.6572      0.03591
      6       7.9153      0.00000
      7       8.9588      0.00000
      8       9.4243      0.00000
      9       9.9060      0.00000
     10      10.6801      0.00000
     11      11.9808      0.00000
     12      12.8218      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5471      2.00000
      2       1.9656      2.00000
      3       2.4535      2.00000
      4       3.6354      2.00000
      5       6.8616      0.00473
      6       7.9200      0.00000
      7       8.5343      0.00000
      8       9.1150      0.00000
      9      10.0655      0.00000
     10      10.9279      0.00000
     11      13.0712      0.00000
     12      13.0715      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3015      2.00000
      2       2.2240      2.00000
      3       2.2291      2.00000
      4       3.0625      2.00000
      5       6.8981      0.00328
      6       6.9017      0.00317
      7       7.9359      0.00000
      8      10.3141      0.00000
      9      10.3243      0.00000
     10      11.1675      0.00000
     11      12.3416      0.00000
     12      13.7458      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9664      2.00000
      2       1.4855      2.00000
      3       2.5834      2.00000
      4       3.1495      2.00000
      5       5.9584      1.90395
      6       6.5473      0.10412
      7       7.8176      0.00000
      8      10.6570      0.00000
      9      10.8570      0.00000
     10      11.3782      0.00000
     11      12.5414      0.00000
     12      13.5736      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5628      2.00000
      2       0.7296      2.00000
      3       3.0381      2.00000
      4       3.3888      2.00000
      5       5.1102      1.99998
      6       6.0300      1.81286
      7       8.0319      0.00000
      8      10.4512      0.00000
      9      11.0903      0.00000
     10      11.5066      0.00000
     11      12.9374      0.00000
     12      13.9201      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1840      2.00000
      2       0.1665      2.00000
      3       3.5512      2.00000
      4       3.5846      2.00000
      5       4.3994      2.00000
      6       5.6772      1.99395
      7       8.2543      0.00000
      8      10.0672      0.00000
      9      11.5903      0.00000
     10      11.6273      0.00000
     11      12.2959      0.00000
     12      14.0100      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4140      2.00000
      2       1.0729      2.00000
      3       2.4655      2.00000
      4       5.5486      1.99833
      5       5.7095      1.99166
      6       7.5415      0.00001
      7       8.9172      0.00000
      8      10.0099      0.00000
      9      10.2148      0.00000
     10      11.0983      0.00000
     11      11.4294      0.00000
     12      12.6241      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3637      2.00000
      2       1.1203      2.00000
      3       2.5035      2.00000
      4       4.8563      2.00000
      5       5.9042      1.94301
      6       8.0890      0.00000
      7       8.3617      0.00000
      8       9.6091      0.00000
      9      10.3413      0.00000
     10      11.5432      0.00000
     11      11.7818      0.00000
     12      12.8191      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2136      2.00000
      2       1.2603      2.00000
      3       2.6041      2.00000
      4       3.8923      2.00000
      5       6.0095      1.84485
      6       7.3207      0.00005
      7       8.6472      0.00000
      8       9.4280      0.00000
      9      10.6260      0.00000
     10      11.8630      0.00000
     11      12.3493      0.00000
     12      12.6932      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9661      2.00000
      2       1.4791      2.00000
      3       2.5874      2.00000
      4       3.1524      2.00000
      5       5.9560      1.90610
      6       6.5461      0.10529
      7       7.8211      0.00000
      8      10.6647      0.00000
      9      10.8604      0.00000
     10      11.3724      0.00000
     11      12.5384      0.00000
     12      13.5745      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6274      2.00000
      2       1.6047      2.00000
      3       2.0818      2.00000
      4       3.2249      2.00000
      5       5.3128      1.99984
      6       6.3070      0.75543
      7       7.2565      0.00009
      8      10.3493      0.00000
      9      11.2263      0.00000
     10      12.2120      0.00000
     11      13.0065      0.00000
     12      13.9519      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2171      2.00000
      2       1.0142      2.00000
      3       2.2924      2.00000
      4       3.5045      2.00000
      5       4.5865      2.00000
      6       5.9211      1.93281
      7       7.2050      0.00015
      8       9.7528      0.00000
      9      11.6106      0.00000
     10      12.7676      0.00000
     11      13.6241      0.00000
     12      14.2373      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8243      2.00000
      2       0.4521      2.00000
      3       2.6317      2.00000
      4       3.7118      2.00000
      5       4.0850      2.00000
      6       5.5540      1.99823
      7       7.3360      0.00004
      8       9.3745      0.00000
      9      11.9711      0.00000
     10      12.8722      0.00000
     11      13.3043      0.00000
     12      14.9029      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0163      2.00000
      2       0.3180      2.00000
      3       2.8098      2.00000
      4       5.0218      1.99999
      5       5.9641      1.89863
      6       7.8047      0.00000
      7       8.1133      0.00000
      8       9.7739      0.00000
      9      10.5964      0.00000
     10      11.1197      0.00000
     11      12.1666      0.00000
     12      12.9251      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9654      2.00000
      2       0.3641      2.00000
      3       2.8532      2.00000
      4       4.9212      2.00000
      5       5.4921      1.99905
      6       7.5307      0.00001
      7       8.5268      0.00000
      8       9.9388      0.00000
      9      10.3454      0.00000
     10      11.2543      0.00000
     11      12.3469      0.00000
     12      12.8056      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8131      2.00000
      2       0.5009      2.00000
      3       2.9768      2.00000
      4       4.2011      2.00000
      5       5.2606      1.99991
      6       6.6677      0.03241
      7       8.9718      0.00000
      8       9.7860      0.00000
      9      10.8972      0.00000
     10      11.3854      0.00000
     11      12.0395      0.00000
     12      13.5790      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5616      2.00000
      2       0.7222      2.00000
      3       3.0428      2.00000
      4       3.3927      2.00000
      5       5.1073      1.99998
      6       6.0272      1.81753
      7       8.0371      0.00000
      8      10.4515      0.00000
      9      11.0995      0.00000
     10      11.5072      0.00000
     11      12.9379      0.00000
     12      13.9330      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2162      2.00000
      2       1.0070      2.00000
      3       2.2996      2.00000
      4       3.5051      2.00000
      5       4.5854      2.00000
      6       5.9172      1.93535
      7       7.2095      0.00015
      8       9.7525      0.00000
      9      11.6120      0.00000
     10      12.7743      0.00000
     11      13.6216      0.00000
     12      14.2350      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7934      2.00000
      2       1.1858      2.00000
      3       1.6800      2.00000
      4       3.5578      2.00000
      5       4.2300      2.00000
      6       5.9066      1.94165
      7       6.6374      0.04361
      8       9.1751      0.00000
      9      12.0146      0.00000
     10      13.6266      0.00000
     11      14.1883      0.00000
     12      14.3715      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3743      2.00000
      2       0.7721      2.00000
      3       1.7910      2.00000
      4       3.2342      2.00000
      5       4.4071      2.00000
      6       5.6433      1.99569
      7       6.5250      0.12836
      8       8.8340      0.00000
      9      12.3919      0.00000
     10      13.3765      0.00000
     11      14.3246      0.00000
     12      14.8112      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6493      2.00000
      2      -0.2357      2.00000
      3       3.1428      2.00000
      4       4.5122      2.00000
      5       6.3879      0.42562
      6       7.4834      0.00001
      7       8.0593      0.00000
      8       9.4726      0.00000
      9      10.9524      0.00000
     10      11.2545      0.00000
     11      12.3615      0.00000
     12      12.4864      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5970      2.00000
      2      -0.1911      2.00000
      3       3.1920      2.00000
      4       4.5129      2.00000
      5       5.7286      1.98991
      6       7.0014      0.00117
      7       8.8250      0.00000
      8      10.0018      0.00000
      9      10.3194      0.00000
     10      11.2890      0.00000
     11      11.8089      0.00000
     12      13.0899      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4402      2.00000
      2      -0.0585      2.00000
      3       3.3380      2.00000
      4       4.4080      2.00000
      5       4.7686      2.00000
      6       6.2252      1.15797
      7       9.2548      0.00000
      8      10.1445      0.00000
      9      10.8106      0.00000
     10      11.1146      0.00000
     11      11.5722      0.00000
     12      13.4999      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1805      2.00000
      2       0.1569      2.00000
      3       3.5539      2.00000
      4       3.5954      2.00000
      5       4.3922      2.00000
      6       5.6736      1.99417
      7       8.2607      0.00000
      8      10.0661      0.00000
      9      11.5954      0.00000
     10      11.6398      0.00000
     11      12.2904      0.00000
     12      14.0114      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8209      2.00000
      2       0.4422      2.00000
      3       2.6413      2.00000
      4       3.7132      2.00000
      5       4.0818      2.00000
      6       5.5487      1.99832
      7       7.3421      0.00004
      8       9.3737      0.00000
      9      11.9735      0.00000
     10      12.8753      0.00000
     11      13.3061      0.00000
     12      14.9091      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3715      2.00000
      2       0.7617      2.00000
      3       1.8003      2.00000
      4       3.2330      2.00000
      5       4.4080      2.00000
      6       5.6373      1.99594
      7       6.5305      0.12200
      8       8.8336      0.00000
      9      12.3937      0.00000
     10      13.3721      0.00000
     11      14.3190      0.00000
     12      14.8358      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1084      2.00000
      2       0.9753      2.00000
      3       1.1677      2.00000
      4       2.8348      2.00000
      5       4.8416      2.00000
      6       5.7051      1.99201
      7       5.9241      1.93087
      8       8.5259      0.00000
      9      12.8363      0.00000
     10      13.5704      0.00000
     11      13.7827      0.00000
     12      15.8094      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0775      2.00000
      2       1.1328      2.00000
      3       1.7960      2.00000
      4       4.9097      2.00000
      5       5.8836      1.95334
      6       7.7984      0.00000
      7       9.1236      0.00000
      8       9.4028      0.00000
      9      10.4757      0.00000
     10      11.3204      0.00000
     11      11.9527      0.00000
     12      12.7258      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0270      2.00000
      2       1.1850      2.00000
      3       1.8334      2.00000
      4       4.8106      2.00000
      5       5.4380      1.99945
      6       8.4084      0.00000
      7       8.4196      0.00000
      8       8.9711      0.00000
      9      11.1906      0.00000
     10      11.8088      0.00000
     11      12.0743      0.00000
     12      12.1146      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8761      2.00000
      2       1.3414      2.00000
      3       1.9399      2.00000
      4       4.1227      2.00000
      5       5.2374      1.99993
      6       7.3415      0.00004
      7       8.0499      0.00000
      8       9.7416      0.00000
      9      11.2777      0.00000
     10      11.8799      0.00000
     11      12.5388      0.00000
     12      12.7963      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6271      2.00000
      2       1.6011      2.00000
      3       2.0796      2.00000
      4       3.2308      2.00000
      5       5.3090      1.99985
      6       6.3096      0.74317
      7       7.2580      0.00009
      8      10.3505      0.00000
      9      11.2352      0.00000
     10      12.2053      0.00000
     11      13.0052      0.00000
     12      13.9560      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2858      2.00000
      2       1.9623      2.00000
      3       1.9673      2.00000
      4       2.6942      2.00000
      5       5.3550      1.99976
      6       5.3582      1.99975
      7       6.6495      0.03876
      8       9.6522      0.00000
      9      12.5576      0.00000
     10      12.5681      0.00000
     11      13.4996      0.00000
     12      14.7073      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8701      2.00000
      2       1.3258      2.00000
      3       2.4191      2.00000
      4       2.8116      2.00000
      5       4.5045      2.00000
      6       5.2012      1.99995
      7       6.4029      0.37755
      8       9.0752      0.00000
      9      12.9818      0.00000
     10      13.3050      0.00000
     11      14.6476      0.00000
     12      14.6705      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4653      2.00000
      2       0.7544      2.00000
      3       2.9340      2.00000
      4       2.9900      2.00000
      5       3.7904      2.00000
      6       4.9689      1.99999
      7       6.4140      0.34475
      8       8.7360      0.00000
      9      13.4512      0.00000
     10      13.5691      0.00000
     11      14.1534      0.00000
     12      15.4847      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6715      2.00000
      2       0.5778      2.00000
      3       1.9118      2.00000
      4       4.2043      2.00000
      5       6.2985      0.79561
      6       8.1197      0.00000
      7       8.4373      0.00000
      8       9.6725      0.00000
      9      10.1379      0.00000
     10      11.5183      0.00000
     11      11.9917      0.00000
     12      12.4922      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6205      2.00000
      2       0.6264      2.00000
      3       1.9563      2.00000
      4       4.2117      2.00000
      5       5.7068      1.99188
      6       7.8235      0.00000
      7       8.8129      0.00000
      8       9.1051      0.00000
      9      10.8251      0.00000
     10      11.4655      0.00000
     11      12.1878      0.00000
     12      12.6098      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4679      2.00000
      2       0.7710      2.00000
      3       2.0875      2.00000
      4       4.1377      2.00000
      5       4.8479      2.00000
      6       6.8556      0.00502
      7       8.1247      0.00000
      8      10.0479      0.00000
      9      10.6856      0.00000
     10      12.0041      0.00000
     11      12.8451      0.00000
     12      13.3185      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2158      2.00000
      2       1.0069      2.00000
      3       2.2931      2.00000
      4       3.5110      2.00000
      5       4.5833      2.00000
      6       5.9209      1.93300
      7       7.2094      0.00015
      8       9.7528      0.00000
      9      11.6221      0.00000
     10      12.7676      0.00000
     11      13.6264      0.00000
     12      14.2347      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8691      2.00000
      2       1.3184      2.00000
      3       2.4236      2.00000
      4       2.8150      2.00000
      5       4.5016      2.00000
      6       5.2004      1.99995
      7       6.4061      0.36780
      8       9.0751      0.00000
      9      12.9909      0.00000
     10      13.3051      0.00000
     11      14.6472      0.00000
     12      14.6673      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4433      2.00000
      2       1.5482      2.00000
      3       1.9402      2.00000
      4       2.9847      2.00000
      5       4.0297      2.00000
      6       4.9516      2.00000
      7       5.8227      1.97435
      8       8.5488      0.00000
      9      13.5318      0.00000
     10      14.5107      0.00000
     11      15.1253      0.00000
     12      15.2163      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0161      2.00000
      2       1.1013      2.00000
      3       2.1334      2.00000
      4       3.2165      2.00000
      5       3.5686      2.00000
      6       4.7757      2.00000
      7       5.6007      1.99718
      8       8.2526      0.00000
      9      13.9320      0.00000
     10      14.7571      0.00000
     11      15.1611      0.00000
     12      15.7448      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2881      2.00000
      2       0.0315      2.00000
      3       2.1882      2.00000
      4       3.7171      2.00000
      5       6.7219      0.01897
      6       7.8126      0.00000
      7       8.4113      0.00000
      8       9.7726      0.00000
      9      10.0350      0.00000
     10      11.4207      0.00000
     11      11.6736      0.00000
     12      12.7841      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2359      2.00000
      2       0.0780      2.00000
      3       2.2383      2.00000
      4       3.7347      2.00000
      5       6.0603      1.75476
      6       7.2833      0.00007
      7       9.1478      0.00000
      8       9.3946      0.00000
      9      10.3133      0.00000
     10      11.0879      0.00000
     11      12.4080      0.00000
     12      12.8534      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0796      2.00000
      2       0.2164      2.00000
      3       2.3879      2.00000
      4       3.7735      2.00000
      5       5.0182      1.99999
      6       6.3891      0.42153
      7       8.3439      0.00000
      8      10.0625      0.00000
      9      10.5476      0.00000
     10      11.6840      0.00000
     11      13.0034      0.00000
     12      13.6718      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8204      2.00000
      2       0.4422      2.00000
      3       2.6337      2.00000
      4       3.7139      2.00000
      5       4.0867      2.00000
      6       5.5517      1.99827
      7       7.3417      0.00004
      8       9.3739      0.00000
      9      11.9849      0.00000
     10      12.8782      0.00000
     11      13.2990      0.00000
     12      14.9024      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4616      2.00000
      2       0.7441      2.00000
      3       2.9388      2.00000
      4       2.9981      2.00000
      5       3.7834      2.00000
      6       4.9663      2.00000
      7       6.4189      0.33080
      8       8.7356      0.00000
      9      13.4636      0.00000
     10      13.5744      0.00000
     11      14.1473      0.00000
     12      15.4893      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0131      2.00000
      2       1.0903      2.00000
      3       2.1434      2.00000
      4       3.2179      2.00000
      5       3.5653      2.00000
      6       4.7721      2.00000
      7       5.6047      1.99707
      8       8.2524      0.00000
      9      13.9343      0.00000
     10      14.7578      0.00000
     11      15.1574      0.00000
     12      15.7629      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4672      2.00000
      2       1.3380      2.00000
      3       1.5142      2.00000
      4       2.9365      2.00000
      5       3.9006      2.00000
      6       4.7484      2.00000
      7       4.9907      1.99999
      8       7.9866      0.00000
      9      14.3746      0.00000
     10      15.0519      0.00000
     11      15.2665      0.00000
     12      16.4012      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2504      2.00000
      2       0.7127      2.00000
      3       1.2926      2.00000
      4       3.5161      2.00000
      5       6.7133      0.02066
      6       8.4927      0.00000
      7       8.7308      0.00000
      8       8.9648      0.00000
      9      10.1906      0.00000
     10      11.0371      0.00000
     11      11.1954      0.00000
     12      13.5255      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1991      2.00000
      2       0.7650      2.00000
      3       1.3368      2.00000
      4       3.5371      2.00000
      5       6.0900      1.68333
      6       8.0183      0.00000
      7       8.4356      0.00000
      8       9.2261      0.00000
      9      10.6961      0.00000
     10      10.9820      0.00000
     11      11.7609      0.00000
     12      13.9200      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0457      2.00000
      2       0.9219      2.00000
      3       1.4673      2.00000
      4       3.5876      2.00000
      5       5.0926      1.99998
      6       6.9461      0.00203
      7       7.5434      0.00001
      8       9.8523      0.00000
      9      10.6324      0.00000
     10      12.2812      0.00000
     11      12.9117      0.00000
     12      14.0697      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7919      2.00000
      2       1.1824      2.00000
      3       1.6762      2.00000
      4       3.5571      2.00000
      5       4.2348      2.00000
      6       5.9092      1.94013
      7       6.6385      0.04313
      8       9.1752      0.00000
      9      12.0265      0.00000
     10      13.6337      0.00000
     11      14.2067      0.00000
     12      14.3489      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4422      2.00000
      2       1.5445      2.00000
      3       1.9366      2.00000
      4       2.9914      2.00000
      5       4.0268      2.00000
      6       4.9540      2.00000
      7       5.8235      1.97415
      8       8.5487      0.00000
      9      13.5441      0.00000
     10      14.5066      0.00000
     11      15.1274      0.00000
     12      15.2142      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0101      2.00000
      2       2.0024      2.00000
      3       2.0082      2.00000
      4       2.4570      2.00000
      5       4.0935      2.00000
      6       4.0975      2.00000
      7       5.1667      1.99996
      8       8.0781      0.00000
      9      14.9531      0.00000
     10      14.9653      0.00000
     11      15.8043      0.00000
     12      15.9459      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4328      2.00000
      2       1.4930      2.00000
      3       2.5173      2.00000
      4       2.5874      2.00000
      5       3.3826      2.00000
      6       4.1214      2.00000
      7       4.7870      2.00000
      8       7.8214      0.00000
      9      15.3901      0.00000
     10      15.6033      0.00000
     11      15.9989      0.00000
     12      16.8410      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8363      2.00000
      2       0.3233      2.00000
      3       1.3400      2.00000
      4       3.0658      2.00000
      5       7.1387      0.00030
      6       8.2058      0.00000
      7       8.8427      0.00000
      8       9.2302      0.00000
      9       9.9534      0.00000
     10      10.6182      0.00000
     11      10.9025      0.00000
     12      13.4478      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7843      2.00000
      2       0.3727      2.00000
      3       1.3906      2.00000
      4       3.0874      2.00000
      5       6.4806      0.19319
      6       7.6043      0.00000
      7       8.5606      0.00000
      8       9.5913      0.00000
      9      10.1467      0.00000
     10      10.7981      0.00000
     11      11.6537      0.00000
     12      13.8643      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6284      2.00000
      2       0.5200      2.00000
      3       1.5419      2.00000
      4       3.1478      2.00000
      5       5.4345      1.99946
      6       6.6130      0.05536
      7       7.5352      0.00001
      8       9.4982      0.00000
      9      10.9462      0.00000
     10      12.0020      0.00000
     11      12.9307      0.00000
     12      14.5531      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3698      2.00000
      2       0.7620      2.00000
      3       1.7917      2.00000
      4       3.2292      2.00000
      5       4.4177      2.00000
      6       5.6416      1.99576
      7       6.5288      0.12391
      8       8.8338      0.00000
      9      12.4067      0.00000
     10      13.3802      0.00000
     11      14.3333      0.00000
     12      14.8084      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0118      2.00000
      2       1.0906      2.00000
      3       2.1344      2.00000
      4       3.2191      2.00000
      5       3.5706      2.00000
      6       4.7751      2.00000
      7       5.6035      1.99710
      8       8.2524      0.00000
      9      13.9480      0.00000
     10      14.7638      0.00000
     11      15.1529      0.00000
     12      15.7551      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4363      2.00000
      2       1.4811      2.00000
      3       2.5227      2.00000
      4       2.5950      2.00000
      5       3.3757      2.00000
      6       4.1223      2.00000
      7       4.7887      2.00000
      8       7.8214      0.00000
      9      15.4058      0.00000
     10      15.6029      0.00000
     11      15.9924      0.00000
     12      16.8519      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9184      2.00000
      2       1.7969      2.00000
      3       1.9383      2.00000
      4       2.9358      2.00000
      5       3.1587      2.00000
      6       3.8902      2.00000
      7       4.1648      2.00000
      8       7.5894      0.00000
      9      15.9241      0.00000
     10      16.4620      0.00000
     11      16.7040      0.00000
     12      16.8323      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3515      2.00000
      2       0.5017      2.00000
      3       0.7030      2.00000
      4       2.6596      2.00000
      5       7.5763      0.00000
      6       8.5345      0.00000
      7       8.6125      0.00000
      8       9.3276      0.00000
      9      10.0141      0.00000
     10      10.0534      0.00000
     11      10.2900      0.00000
     12      13.3431      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2995      2.00000
      2       0.5542      2.00000
      3       0.7540      2.00000
      4       2.6805      2.00000
      5       6.9253      0.00250
      6       7.8215      0.00000
      7       7.9673      0.00000
      8       9.7180      0.00000
      9      10.0935      0.00000
     10      10.8114      0.00000
     11      11.0608      0.00000
     12      13.7255      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1437      2.00000
      2       0.7112      2.00000
      3       0.9065      2.00000
      4       2.7403      2.00000
      5       5.8809      1.95457
      6       6.7470      0.01480
      7       6.9333      0.00231
      8       9.1458      0.00000
      9      11.3920      0.00000
     10      12.1357      0.00000
     11      12.3545      0.00000
     12      14.6413      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1148      2.00000
      2       0.9721      2.00000
      3       1.1586      2.00000
      4       2.8303      2.00000
      5       4.8564      2.00000
      6       5.7079      1.99179
      7       5.9195      1.93388
      8       8.5260      0.00000
      9      12.8543      0.00000
     10      13.5780      0.00000
     11      13.7836      0.00000
     12      15.8159      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4732      2.00000
      2       1.3347      2.00000
      3       1.5048      2.00000
      4       2.9322      2.00000
      5       3.9146      2.00000
      6       4.7510      2.00000
      7       4.9865      1.99999
      8       7.9867      0.00000
      9      14.3942      0.00000
     10      15.0604      0.00000
     11      15.2685      0.00000
     12      16.3851      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9232      2.00000
      2       1.7930      2.00000
      3       1.9281      2.00000
      4       2.9421      2.00000
      5       3.1626      2.00000
      6       3.8932      2.00000
      7       4.1613      2.00000
      8       7.5895      0.00000
      9      15.9448      0.00000
     10      16.4720      0.00000
     11      16.7263      0.00000
     12      16.7906      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4132      2.00000
      2       2.3076      2.00000
      3       2.3141      2.00000
      4       2.3773      2.00000
      5       3.1691      2.00000
      6       3.1782      2.00000
      7       3.5055      2.00000
      8       7.3776      0.00003
      9      17.2310      0.00000
     10      17.2605      0.00000
     11      17.4623      0.00000
     12      17.9520      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.263  -0.000   0.000   0.000
  5.263  22.370  -0.000   0.000   0.000
 -0.000  -0.000  -0.285  -0.000  -0.000
  0.000   0.000  -0.000  -0.285   0.000
  0.000   0.000  -0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.074  -0.022   0.000   0.000  -0.001
 -0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.093   0.000  -0.000
  0.000   0.000   0.000   0.093   0.000
 -0.001   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1071: real time    0.1071
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.1975: real time    0.1975
    STRESS:  cpu time    2.3773: real time    2.3780
    FORCOR:  cpu time    0.0460: real time    0.0460
    FORHAR:  cpu time    0.0119: real time    0.0119
    MIXING:  cpu time    0.0058: real time    0.0058
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.43186   -72.29464   -72.29464     0.00000    -0.00000     0.00000
  Hartree     1.11467     1.15114     1.15114    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42396   -27.42529   -27.42529     0.00000    -0.00000    -0.00001
  Local      -3.89112    -4.08333    -4.08333    -0.00000    -0.00000    -0.00000
  n-local    58.91291    58.01878    59.84258     0.09997     0.25636     0.41345
  augment    -3.03425    -3.03532    -3.03532     0.00000    -0.00000    -0.00000
  Kinetic    46.90574    48.34821    45.42911    -1.28975    -3.60765    -5.94685
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03890     0.01867     0.01867     0.00000     0.00000    -0.00000
  in kB       0.95472     0.45825     0.45825     0.00000     0.00000    -0.00000
  external pressure =        0.62 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.136E+00 0.660E-14 0.378E-14   -.148E+00 -.290E-15 -.263E-15   0.179E-01 0.415E-19 -.877E-19   0.134E-04 0.834E-08 -.145E-03
   -.104E+01 -.274E-13 0.227E-13   0.845E+00 0.142E-14 -.137E-14   0.307E+00 -.163E-18 -.324E-18   -.367E-04 -.652E-07 -.109E-02
   -.104E+01 -.871E-15 -.919E-13   0.845E+00 -.155E-14 0.854E-15   0.307E+00 -.181E-18 -.446E-19   -.367E-04 0.663E-07 0.116E-02
   0.196E+01 -.115E-13 0.619E-07   -.154E+01 0.362E-15 0.607E-15   -.649E+00 0.225E-19 -.398E-18   0.197E-03 -.633E-07 0.116E-02
 -----------------------------------------------------------------------------------------------
   0.172E-01 -.332E-13 0.619E-07   0.000E+00 -.673E-16 -.175E-15   -.174E-01 -.279E-18 -.855E-18   0.137E-03 -.539E-07 0.109E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.006475      0.000000      0.000000
      2.01274      2.01342      0.00000         0.112886     -0.000000      0.000000
      2.01274      0.00000      2.01342         0.112886      0.000000     -0.000000
      0.05000      2.01342      2.01342        -0.232248     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000024     -0.000000      0.001093


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54789541 eV

  energy  without entropy=      -13.50785825  energy(sigma->0) =      -13.52787683
 
 d Force =-0.1260904E-05[-0.116E-01, 0.116E-01]  d Energy =-0.6999745E-05 0.574E-05
 d Force = 0.2337262E-04[-0.771E-01, 0.772E-01]  d Ewald  = 0.2336091E-04 0.117E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0526: real time    0.0526


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:  12/ 13
  Displacement:        1/  2
  Total:              23/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_4v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_4v.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    196 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      4.000000
  0.076923  0.076923  0.000000      8.000000
  0.153846  0.076923  0.000000      8.000000
  0.230769  0.076923  0.000000      8.000000
  0.307692  0.076923  0.000000      8.000000
  0.384615  0.076923  0.000000      8.000000
  0.461538  0.076923  0.000000      8.000000
  0.000000  0.153846  0.000000      4.000000
  0.076923  0.153846  0.000000      8.000000
  0.153846  0.153846  0.000000      8.000000
  0.230769  0.153846  0.000000      8.000000
  0.307692  0.153846  0.000000      8.000000
  0.384615  0.153846  0.000000      8.000000
  0.461538  0.153846  0.000000      8.000000
  0.000000  0.230769  0.000000      4.000000
  0.076923  0.230769  0.000000      8.000000
  0.153846  0.230769  0.000000      8.000000
  0.230769  0.230769  0.000000      8.000000
  0.307692  0.230769  0.000000      8.000000
  0.384615  0.230769  0.000000      8.000000
  0.461538  0.230769  0.000000      8.000000
  0.000000  0.307692  0.000000      4.000000
  0.076923  0.307692  0.000000      8.000000
  0.153846  0.307692  0.000000      8.000000
  0.230769  0.307692  0.000000      8.000000
  0.307692  0.307692  0.000000      8.000000
  0.384615  0.307692  0.000000      8.000000
  0.461538  0.307692  0.000000      8.000000
  0.000000  0.384615  0.000000      4.000000
  0.076923  0.384615  0.000000      8.000000
  0.153846  0.384615  0.000000      8.000000
  0.230769  0.384615  0.000000      8.000000
  0.307692  0.384615  0.000000      8.000000
  0.384615  0.384615  0.000000      8.000000
  0.461538  0.384615  0.000000      8.000000
  0.000000  0.461538  0.000000      4.000000
  0.076923  0.461538  0.000000      8.000000
  0.153846  0.461538  0.000000      8.000000
  0.230769  0.461538  0.000000      8.000000
  0.307692  0.461538  0.000000      8.000000
  0.384615  0.461538  0.000000      8.000000
  0.461538  0.461538  0.000000      8.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      8.000000
  0.076923  0.153846  0.076923     16.000000
  0.153846  0.153846  0.076923     16.000000
  0.230769  0.153846  0.076923     16.000000
  0.307692  0.153846  0.076923     16.000000
  0.384615  0.153846  0.076923     16.000000
  0.461538  0.153846  0.076923     16.000000
  0.000000  0.230769  0.076923      8.000000
  0.076923  0.230769  0.076923     16.000000
  0.153846  0.230769  0.076923     16.000000
  0.230769  0.230769  0.076923     16.000000
  0.307692  0.230769  0.076923     16.000000
  0.384615  0.230769  0.076923     16.000000
  0.461538  0.230769  0.076923     16.000000
  0.000000  0.307692  0.076923      8.000000
  0.076923  0.307692  0.076923     16.000000
  0.153846  0.307692  0.076923     16.000000
  0.230769  0.307692  0.076923     16.000000
  0.307692  0.307692  0.076923     16.000000
  0.384615  0.307692  0.076923     16.000000
  0.461538  0.307692  0.076923     16.000000
  0.000000  0.384615  0.076923      8.000000
  0.076923  0.384615  0.076923     16.000000
  0.153846  0.384615  0.076923     16.000000
  0.230769  0.384615  0.076923     16.000000
  0.307692  0.384615  0.076923     16.000000
  0.384615  0.384615  0.076923     16.000000
  0.461538  0.384615  0.076923     16.000000
  0.000000  0.461538  0.076923      8.000000
  0.076923  0.461538  0.076923     16.000000
  0.153846  0.461538  0.076923     16.000000
  0.230769  0.461538  0.076923     16.000000
  0.307692  0.461538  0.076923     16.000000
  0.384615  0.461538  0.076923     16.000000
  0.461538  0.461538  0.076923     16.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      8.000000
  0.076923  0.230769  0.153846     16.000000
  0.153846  0.230769  0.153846     16.000000
  0.230769  0.230769  0.153846     16.000000
  0.307692  0.230769  0.153846     16.000000
  0.384615  0.230769  0.153846     16.000000
  0.461538  0.230769  0.153846     16.000000
  0.000000  0.307692  0.153846      8.000000
  0.076923  0.307692  0.153846     16.000000
  0.153846  0.307692  0.153846     16.000000
  0.230769  0.307692  0.153846     16.000000
  0.307692  0.307692  0.153846     16.000000
  0.384615  0.307692  0.153846     16.000000
  0.461538  0.307692  0.153846     16.000000
  0.000000  0.384615  0.153846      8.000000
  0.076923  0.384615  0.153846     16.000000
  0.153846  0.384615  0.153846     16.000000
  0.230769  0.384615  0.153846     16.000000
  0.307692  0.384615  0.153846     16.000000
  0.384615  0.384615  0.153846     16.000000
  0.461538  0.384615  0.153846     16.000000
  0.000000  0.461538  0.153846      8.000000
  0.076923  0.461538  0.153846     16.000000
  0.153846  0.461538  0.153846     16.000000
  0.230769  0.461538  0.153846     16.000000
  0.307692  0.461538  0.153846     16.000000
  0.384615  0.461538  0.153846     16.000000
  0.461538  0.461538  0.153846     16.000000
  0.000000  0.230769  0.230769      4.000000
  0.076923  0.230769  0.230769      8.000000
  0.153846  0.230769  0.230769      8.000000
  0.230769  0.230769  0.230769      8.000000
  0.307692  0.230769  0.230769      8.000000
  0.384615  0.230769  0.230769      8.000000
  0.461538  0.230769  0.230769      8.000000
  0.000000  0.307692  0.230769      8.000000
  0.076923  0.307692  0.230769     16.000000
  0.153846  0.307692  0.230769     16.000000
  0.230769  0.307692  0.230769     16.000000
  0.307692  0.307692  0.230769     16.000000
  0.384615  0.307692  0.230769     16.000000
  0.461538  0.307692  0.230769     16.000000
  0.000000  0.384615  0.230769      8.000000
  0.076923  0.384615  0.230769     16.000000
  0.153846  0.384615  0.230769     16.000000
  0.230769  0.384615  0.230769     16.000000
  0.307692  0.384615  0.230769     16.000000
  0.384615  0.384615  0.230769     16.000000
  0.461538  0.384615  0.230769     16.000000
  0.000000  0.461538  0.230769      8.000000
  0.076923  0.461538  0.230769     16.000000
  0.153846  0.461538  0.230769     16.000000
  0.230769  0.461538  0.230769     16.000000
  0.307692  0.461538  0.230769     16.000000
  0.384615  0.461538  0.230769     16.000000
  0.461538  0.461538  0.230769     16.000000
  0.000000  0.307692  0.307692      4.000000
  0.076923  0.307692  0.307692      8.000000
  0.153846  0.307692  0.307692      8.000000
  0.230769  0.307692  0.307692      8.000000
  0.307692  0.307692  0.307692      8.000000
  0.384615  0.307692  0.307692      8.000000
  0.461538  0.307692  0.307692      8.000000
  0.000000  0.384615  0.307692      8.000000
  0.076923  0.384615  0.307692     16.000000
  0.153846  0.384615  0.307692     16.000000
  0.230769  0.384615  0.307692     16.000000
  0.307692  0.384615  0.307692     16.000000
  0.384615  0.384615  0.307692     16.000000
  0.461538  0.384615  0.307692     16.000000
  0.000000  0.461538  0.307692      8.000000
  0.076923  0.461538  0.307692     16.000000
  0.153846  0.461538  0.307692     16.000000
  0.230769  0.461538  0.307692     16.000000
  0.307692  0.461538  0.307692     16.000000
  0.384615  0.461538  0.307692     16.000000
  0.461538  0.461538  0.307692     16.000000
  0.000000  0.384615  0.384615      4.000000
  0.076923  0.384615  0.384615      8.000000
  0.153846  0.384615  0.384615      8.000000
  0.230769  0.384615  0.384615      8.000000
  0.307692  0.384615  0.384615      8.000000
  0.384615  0.384615  0.384615      8.000000
  0.461538  0.384615  0.384615      8.000000
  0.000000  0.461538  0.384615      8.000000
  0.076923  0.461538  0.384615     16.000000
  0.153846  0.461538  0.384615     16.000000
  0.230769  0.461538  0.384615     16.000000
  0.307692  0.461538  0.384615     16.000000
  0.384615  0.461538  0.384615     16.000000
  0.461538  0.461538  0.384615     16.000000
  0.000000  0.461538  0.461538      4.000000
  0.076923  0.461538  0.461538      8.000000
  0.153846  0.461538  0.461538      8.000000
  0.230769  0.461538  0.461538      8.000000
  0.307692  0.461538  0.461538      8.000000
  0.384615  0.461538  0.461538      8.000000
  0.461538  0.461538  0.461538      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.019109  0.000000  0.000000      2.000000
  0.038218  0.000000  0.000000      2.000000
  0.057327  0.000000  0.000000      2.000000
  0.076436  0.000000  0.000000      2.000000
  0.095545  0.000000  0.000000      2.000000
  0.114654  0.000000  0.000000      2.000000
  0.000000  0.019103  0.000000      4.000000
  0.019109  0.019103  0.000000      8.000000
  0.038218  0.019103  0.000000      8.000000
  0.057327  0.019103  0.000000      8.000000
  0.076436  0.019103  0.000000      8.000000
  0.095545  0.019103  0.000000      8.000000
  0.114654  0.019103  0.000000      8.000000
  0.000000  0.038205  0.000000      4.000000
  0.019109  0.038205  0.000000      8.000000
  0.038218  0.038205  0.000000      8.000000
  0.057327  0.038205  0.000000      8.000000
  0.076436  0.038205  0.000000      8.000000
  0.095545  0.038205  0.000000      8.000000
  0.114654  0.038205  0.000000      8.000000
  0.000000  0.057308  0.000000      4.000000
  0.019109  0.057308  0.000000      8.000000
  0.038218  0.057308  0.000000      8.000000
  0.057327  0.057308  0.000000      8.000000
  0.076436  0.057308  0.000000      8.000000
  0.095545  0.057308  0.000000      8.000000
  0.114654  0.057308  0.000000      8.000000
  0.000000  0.076411  0.000000      4.000000
  0.019109  0.076411  0.000000      8.000000
  0.038218  0.076411  0.000000      8.000000
  0.057327  0.076411  0.000000      8.000000
  0.076436  0.076411  0.000000      8.000000
  0.095545  0.076411  0.000000      8.000000
  0.114654  0.076411  0.000000      8.000000
  0.000000  0.095513  0.000000      4.000000
  0.019109  0.095513  0.000000      8.000000
  0.038218  0.095513  0.000000      8.000000
  0.057327  0.095513  0.000000      8.000000
  0.076436  0.095513  0.000000      8.000000
  0.095545  0.095513  0.000000      8.000000
  0.114654  0.095513  0.000000      8.000000
  0.000000  0.114616  0.000000      4.000000
  0.019109  0.114616  0.000000      8.000000
  0.038218  0.114616  0.000000      8.000000
  0.057327  0.114616  0.000000      8.000000
  0.076436  0.114616  0.000000      8.000000
  0.095545  0.114616  0.000000      8.000000
  0.114654  0.114616  0.000000      8.000000
  0.000000  0.019103  0.019103      4.000000
  0.019109  0.019103  0.019103      8.000000
  0.038218  0.019103  0.019103      8.000000
  0.057327  0.019103  0.019103      8.000000
  0.076436  0.019103  0.019103      8.000000
  0.095545  0.019103  0.019103      8.000000
  0.114654  0.019103  0.019103      8.000000
  0.000000  0.038205  0.019103      8.000000
  0.019109  0.038205  0.019103     16.000000
  0.038218  0.038205  0.019103     16.000000
  0.057327  0.038205  0.019103     16.000000
  0.076436  0.038205  0.019103     16.000000
  0.095545  0.038205  0.019103     16.000000
  0.114654  0.038205  0.019103     16.000000
  0.000000  0.057308  0.019103      8.000000
  0.019109  0.057308  0.019103     16.000000
  0.038218  0.057308  0.019103     16.000000
  0.057327  0.057308  0.019103     16.000000
  0.076436  0.057308  0.019103     16.000000
  0.095545  0.057308  0.019103     16.000000
  0.114654  0.057308  0.019103     16.000000
  0.000000  0.076411  0.019103      8.000000
  0.019109  0.076411  0.019103     16.000000
  0.038218  0.076411  0.019103     16.000000
  0.057327  0.076411  0.019103     16.000000
  0.076436  0.076411  0.019103     16.000000
  0.095545  0.076411  0.019103     16.000000
  0.114654  0.076411  0.019103     16.000000
  0.000000  0.095513  0.019103      8.000000
  0.019109  0.095513  0.019103     16.000000
  0.038218  0.095513  0.019103     16.000000
  0.057327  0.095513  0.019103     16.000000
  0.076436  0.095513  0.019103     16.000000
  0.095545  0.095513  0.019103     16.000000
  0.114654  0.095513  0.019103     16.000000
  0.000000  0.114616  0.019103      8.000000
  0.019109  0.114616  0.019103     16.000000
  0.038218  0.114616  0.019103     16.000000
  0.057327  0.114616  0.019103     16.000000
  0.076436  0.114616  0.019103     16.000000
  0.095545  0.114616  0.019103     16.000000
  0.114654  0.114616  0.019103     16.000000
  0.000000  0.038205  0.038205      4.000000
  0.019109  0.038205  0.038205      8.000000
  0.038218  0.038205  0.038205      8.000000
  0.057327  0.038205  0.038205      8.000000
  0.076436  0.038205  0.038205      8.000000
  0.095545  0.038205  0.038205      8.000000
  0.114654  0.038205  0.038205      8.000000
  0.000000  0.057308  0.038205      8.000000
  0.019109  0.057308  0.038205     16.000000
  0.038218  0.057308  0.038205     16.000000
  0.057327  0.057308  0.038205     16.000000
  0.076436  0.057308  0.038205     16.000000
  0.095545  0.057308  0.038205     16.000000
  0.114654  0.057308  0.038205     16.000000
  0.000000  0.076411  0.038205      8.000000
  0.019109  0.076411  0.038205     16.000000
  0.038218  0.076411  0.038205     16.000000
  0.057327  0.076411  0.038205     16.000000
  0.076436  0.076411  0.038205     16.000000
  0.095545  0.076411  0.038205     16.000000
  0.114654  0.076411  0.038205     16.000000
  0.000000  0.095513  0.038205      8.000000
  0.019109  0.095513  0.038205     16.000000
  0.038218  0.095513  0.038205     16.000000
  0.057327  0.095513  0.038205     16.000000
  0.076436  0.095513  0.038205     16.000000
  0.095545  0.095513  0.038205     16.000000
  0.114654  0.095513  0.038205     16.000000
  0.000000  0.114616  0.038205      8.000000
  0.019109  0.114616  0.038205     16.000000
  0.038218  0.114616  0.038205     16.000000
  0.057327  0.114616  0.038205     16.000000
  0.076436  0.114616  0.038205     16.000000
  0.095545  0.114616  0.038205     16.000000
  0.114654  0.114616  0.038205     16.000000
  0.000000  0.057308  0.057308      4.000000
  0.019109  0.057308  0.057308      8.000000
  0.038218  0.057308  0.057308      8.000000
  0.057327  0.057308  0.057308      8.000000
  0.076436  0.057308  0.057308      8.000000
  0.095545  0.057308  0.057308      8.000000
  0.114654  0.057308  0.057308      8.000000
  0.000000  0.076411  0.057308      8.000000
  0.019109  0.076411  0.057308     16.000000
  0.038218  0.076411  0.057308     16.000000
  0.057327  0.076411  0.057308     16.000000
  0.076436  0.076411  0.057308     16.000000
  0.095545  0.076411  0.057308     16.000000
  0.114654  0.076411  0.057308     16.000000
  0.000000  0.095513  0.057308      8.000000
  0.019109  0.095513  0.057308     16.000000
  0.038218  0.095513  0.057308     16.000000
  0.057327  0.095513  0.057308     16.000000
  0.076436  0.095513  0.057308     16.000000
  0.095545  0.095513  0.057308     16.000000
  0.114654  0.095513  0.057308     16.000000
  0.000000  0.114616  0.057308      8.000000
  0.019109  0.114616  0.057308     16.000000
  0.038218  0.114616  0.057308     16.000000
  0.057327  0.114616  0.057308     16.000000
  0.076436  0.114616  0.057308     16.000000
  0.095545  0.114616  0.057308     16.000000
  0.114654  0.114616  0.057308     16.000000
  0.000000  0.076411  0.076411      4.000000
  0.019109  0.076411  0.076411      8.000000
  0.038218  0.076411  0.076411      8.000000
  0.057327  0.076411  0.076411      8.000000
  0.076436  0.076411  0.076411      8.000000
  0.095545  0.076411  0.076411      8.000000
  0.114654  0.076411  0.076411      8.000000
  0.000000  0.095513  0.076411      8.000000
  0.019109  0.095513  0.076411     16.000000
  0.038218  0.095513  0.076411     16.000000
  0.057327  0.095513  0.076411     16.000000
  0.076436  0.095513  0.076411     16.000000
  0.095545  0.095513  0.076411     16.000000
  0.114654  0.095513  0.076411     16.000000
  0.000000  0.114616  0.076411      8.000000
  0.019109  0.114616  0.076411     16.000000
  0.038218  0.114616  0.076411     16.000000
  0.057327  0.114616  0.076411     16.000000
  0.076436  0.114616  0.076411     16.000000
  0.095545  0.114616  0.076411     16.000000
  0.114654  0.114616  0.076411     16.000000
  0.000000  0.095513  0.095513      4.000000
  0.019109  0.095513  0.095513      8.000000
  0.038218  0.095513  0.095513      8.000000
  0.057327  0.095513  0.095513      8.000000
  0.076436  0.095513  0.095513      8.000000
  0.095545  0.095513  0.095513      8.000000
  0.114654  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      8.000000
  0.019109  0.114616  0.095513     16.000000
  0.038218  0.114616  0.095513     16.000000
  0.057327  0.114616  0.095513     16.000000
  0.076436  0.114616  0.095513     16.000000
  0.095545  0.114616  0.095513     16.000000
  0.114654  0.114616  0.095513     16.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.114616      8.000000
  0.038218  0.114616  0.114616      8.000000
  0.057327  0.114616  0.114616      8.000000
  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.2886: real time    0.4075
    FEWALD:  cpu time    0.0033: real time    0.0033
    GENKIN:  cpu time    0.0647: real time    0.0647
    ORTHCH:  cpu time    1.2155: real time    1.2156
     LOOP+:  cpu time   87.3188: real time   87.4766


--------------------------------------- Iteration     25(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0458: real time    0.0472
    SETDIJ:  cpu time    0.0030: real time    0.0030
     EDDAV:  cpu time   11.8277: real time   11.8340
       DOS:  cpu time    0.0117: real time    0.0117
    CHARGE:  cpu time    0.1070: real time    0.1070
    MIXING:  cpu time    0.0034: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time   11.9988: real time   12.0064

 eigenvalue-minimisations  :  4780
 total energy-change (2. order) :-0.7523940E-03  (-0.1177005E+00)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060749 magnetization 

 Broyden mixing:
  rms(total) = 0.28156E-01    rms(broyden)= 0.28155E-01
  rms(prec ) = 0.86876E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.40688974
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80123421
  PAW double counting   =       429.09478645     -327.74795408
  entropy T*S    EENTRO =        -0.04000804
  eigenvalues    EBANDS =        22.57147008
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54864646 eV

  energy without entropy =      -13.50863842  energy(sigma->0) =      -13.52864244


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0479: real time    0.0482
    SETDIJ:  cpu time    0.0037: real time    0.0037
     EDDAV:  cpu time   13.7170: real time   13.7231
       DOS:  cpu time    0.0148: real time    0.0148
    CHARGE:  cpu time    0.1095: real time    0.1095
    MIXING:  cpu time    0.0046: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time   13.8975: real time   13.9038

 eigenvalue-minimisations  :  5756
 total energy-change (2. order) : 0.2037886E-03  (-0.3890129E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060492 magnetization 

 Broyden mixing:
  rms(total) = 0.15043E-01    rms(broyden)= 0.15043E-01
  rms(prec ) = 0.39589E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8470
  0.8470

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41255463
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80095441
  PAW double counting   =       429.92047417     -328.57366169
  entropy T*S    EENTRO =        -0.04002490
  eigenvalues    EBANDS =        22.57709570
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54844268 eV

  energy without entropy =      -13.50841778  energy(sigma->0) =      -13.52843023


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0497: real time    0.0500
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   13.9475: real time   13.9537
       DOS:  cpu time    0.0103: real time    0.0103
    CHARGE:  cpu time    0.1086: real time    0.1086
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time   14.1244: real time   14.1309

 eigenvalue-minimisations  :  5616
 total energy-change (2. order) : 0.5887667E-03  (-0.3428491E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060364 magnetization 

 Broyden mixing:
  rms(total) = 0.66948E-02    rms(broyden)= 0.66948E-02
  rms(prec ) = 0.10376E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5123
  1.1815  1.8432

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41687549
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80066615
  PAW double counting   =       428.75782386     -327.41103329
  entropy T*S    EENTRO =        -0.04003697
  eigenvalues    EBANDS =        22.58175104
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54785391 eV

  energy without entropy =      -13.50781694  energy(sigma->0) =      -13.52783542


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0497: real time    0.0500
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   13.8206: real time   13.8268
       DOS:  cpu time    0.0129: real time    0.0129
    CHARGE:  cpu time    0.1080: real time    0.1080
    MIXING:  cpu time    0.0049: real time    0.0049
    --------------------------------------------
      LOOP:  cpu time   13.9995: real time   14.0060

 eigenvalue-minimisations  :  5808
 total energy-change (2. order) :-0.3642477E-04  (-0.2541617E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060178 magnetization 

 Broyden mixing:
  rms(total) = 0.32205E-02    rms(broyden)= 0.32205E-02
  rms(prec ) = 0.51727E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6819
  1.0277  1.5409  2.4772

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41679863
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80067498
  PAW double counting   =       428.62635332     -327.27953658
  entropy T*S    EENTRO =        -0.04003698
  eigenvalues    EBANDS =        22.58162043
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54789033 eV

  energy without entropy =      -13.50785336  energy(sigma->0) =      -13.52787184


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0500: real time    0.0503
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   14.1585: real time   14.1648
       DOS:  cpu time    0.0103: real time    0.0103
    --------------------------------------------
      LOOP:  cpu time   14.2221: real time   14.2287

 eigenvalue-minimisations  :  5748
 total energy-change (2. order) :-0.5869539E-05  (-0.6217263E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060178 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.02105433
  -Hartree energ DENC   =        -3.41687684
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80065160
  PAW double counting   =       428.90946473     -327.56263197
  entropy T*S    EENTRO =        -0.04003710
  eigenvalues    EBANDS =        22.58165350
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54789620 eV

  energy without entropy =      -13.50785910  energy(sigma->0) =      -13.52787765


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2476       2 -74.2396       3 -74.2396       4 -74.2381
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5662     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6261      2.00000
      2       4.3261      2.00000
      3       4.3261      2.00000
      4       4.3353      2.00000
      5       5.5475      1.99834
      6       5.5541      1.99823
      7       7.5963      0.00000
      8      12.5008      0.00000
      9      12.5009      0.00000
     10      12.5110      0.00000
     11      12.8065      0.00000
     12      12.8221      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5768      2.00000
      2       3.6468      2.00000
      3       4.3751      2.00000
      4       4.3751      2.00000
      5       5.6004      1.99719
      6       6.1588      1.45527
      7       7.7966      0.00000
      8      11.5762      0.00000
      9      11.5762      0.00000
     10      12.1688      0.00000
     11      12.8548      0.00000
     12      12.9853      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4298      2.00000
      2       2.6176      2.00000
      3       4.5217      2.00000
      4       4.5217      2.00000
      5       5.7587      1.98639
      6       6.7608      0.01289
      7       8.5694      0.00000
      8      10.4597      0.00000
      9      10.4597      0.00000
     10      11.4057      0.00000
     11      12.8222      0.00000
     12      12.9981      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1883      2.00000
      2       1.6242      2.00000
      3       4.7646      2.00000
      4       4.7646      2.00000
      5       6.0215      1.82669
      6       7.0435      0.00077
      7       9.4237      0.00000
      8       9.4237      0.00000
      9       9.8391      0.00000
     10      10.5260      0.00000
     11      12.3406      0.00000
     12      13.2308      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8607      2.00000
      2       0.7203      2.00000
      3       5.1001      1.99998
      4       5.1001      1.99998
      5       6.3870      0.42869
      6       7.2174      0.00014
      7       8.4894      0.00000
      8       8.4894      0.00000
      9       9.6536      0.00000
     10      11.2182      0.00000
     11      12.0346      0.00000
     12      13.5388      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4722      2.00000
      2      -0.0561      2.00000
      3       5.5151      1.99880
      4       5.5151      1.99880
      5       6.8515      0.00523
      6       7.3428      0.00004
      7       7.6741      0.00000
      8       7.6741      0.00000
      9       8.8368      0.00000
     10      11.4212      0.00000
     11      13.1471      0.00000
     12      13.8838      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1232      2.00000
      2      -0.6000      2.00000
      3       5.9362      1.92231
      4       5.9362      1.92231
      5       7.0525      0.00070
      6       7.0525      0.00070
      7       7.4016      0.00002
      8       7.4131      0.00002
      9       8.1073      0.00000
     10      11.2718      0.00000
     11      14.1571      0.00000
     12      14.5151      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5767      2.00000
      2       3.6388      2.00000
      3       4.3751      2.00000
      4       4.3845      2.00000
      5       5.6053      1.99705
      6       6.1532      1.47703
      7       7.7958      0.00000
      8      11.5688      0.00000
      9      11.5752      0.00000
     10      12.1724      0.00000
     11      12.8637      0.00000
     12      12.9910      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5651      2.00000
      3       3.8394      2.00000
      4       4.4241      2.00000
      5       5.9325      1.92506
      6       6.5066      0.15240
      7       7.9488      0.00000
      8      10.8401      0.00000
      9      11.4699      0.00000
     10      11.8615      0.00000
     11      12.3588      0.00000
     12      12.8466      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3803      2.00000
      2       2.6501      2.00000
      3       3.8786      2.00000
      4       4.5707      2.00000
      5       6.1429      1.51614
      6       7.1334      0.00031
      7       8.6181      0.00000
      8       9.8318      0.00000
      9      10.5002      0.00000
     10      11.7945      0.00000
     11      11.8373      0.00000
     12      12.8715      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1386      2.00000
      2       1.6654      2.00000
      3       4.1127      2.00000
      4       4.8136      2.00000
      5       6.3868      0.42910
      6       7.4347      0.00002
      7       8.8257      0.00000
      8       9.4707      0.00000
      9       9.9006      0.00000
     10      10.9729      0.00000
     11      12.0613      0.00000
     12      12.5121      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8106      2.00000
      2       0.7639      2.00000
      3       4.4413      2.00000
      4       5.1490      1.99997
      5       6.6759      0.02989
      6       7.5829      0.00000
      7       8.0368      0.00000
      8       8.5377      0.00000
      9      10.1188      0.00000
     10      11.3330      0.00000
     11      12.1334      0.00000
     12      12.3783      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4212      2.00000
      2      -0.0123      2.00000
      3       4.8446      2.00000
      4       5.5638      1.99805
      5       6.7522      0.01404
      6       7.4460      0.00001
      7       7.7229      0.00000
      8       7.8848      0.00000
      9       9.3448      0.00000
     10      11.6124      0.00000
     11      12.7576      0.00000
     12      13.0980      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0706      2.00000
      2      -0.5573      2.00000
      3       5.2424      1.99992
      4       5.9847      1.87683
      5       6.3424      0.59732
      6       7.1017      0.00043
      7       7.6107      0.00000
      8       8.1099      0.00000
      9       8.6790      0.00000
     10      11.4435      0.00000
     11      13.1003      0.00000
     12      14.1306      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4297      2.00000
      2       2.6105      2.00000
      3       4.5218      2.00000
      4       4.5312      2.00000
      5       5.7636      1.98572
      6       6.7572      0.01336
      7       8.5663      0.00000
      8      10.4522      0.00000
      9      10.4607      0.00000
     10      11.4075      0.00000
     11      12.8102      0.00000
     12      13.0072      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3803      2.00000
      2       2.6432      2.00000
      3       3.8864      2.00000
      4       4.5707      2.00000
      5       6.1457      1.50576
      6       7.1328      0.00031
      7       8.6156      0.00000
      8       9.8324      0.00000
      9      10.4929      0.00000
     10      11.7923      0.00000
     11      11.8453      0.00000
     12      12.8847      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2328      2.00000
      2       2.5828      2.00000
      3       3.0714      2.00000
      4       4.7172      2.00000
      5       6.4072      0.36432
      6       8.0461      0.00000
      7       8.6552      0.00000
      8       9.1572      0.00000
      9      10.4915      0.00000
     10      10.8482      0.00000
     11      11.8447      0.00000
     12      12.6323      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9903      2.00000
      2       1.7751      2.00000
      3       3.1242      2.00000
      4       4.9600      2.00000
      5       6.5657      0.08738
      6       7.9163      0.00000
      7       8.5950      0.00000
      8       9.6072      0.00000
      9      10.0283      0.00000
     10      10.9268      0.00000
     11      11.3355      0.00000
     12      12.6311      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6610      2.00000
      2       0.8908      2.00000
      3       3.4267      2.00000
      4       5.2953      1.99987
      5       6.4577      0.23700
      6       7.4661      0.00001
      7       8.6814      0.00000
      8       8.8169      0.00000
      9      10.6499      0.00000
     10      11.2395      0.00000
     11      11.4973      0.00000
     12      12.5234      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2690      2.00000
      2       0.1174      2.00000
      3       3.8101      2.00000
      4       5.7097      1.99164
      5       5.9167      1.93566
      6       7.5763      0.00000
      7       7.8685      0.00000
      8       8.9520      0.00000
      9      10.1187      0.00000
     10      11.6232      0.00000
     11      12.2031      0.00000
     12      12.8426      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9134      2.00000
      2      -0.4308      2.00000
      3       4.1767      2.00000
      4       5.4087      1.99959
      5       6.1299      1.56217
      6       7.2485      0.00010
      7       7.7934      0.00000
      8       8.9577      0.00000
      9       9.8264      0.00000
     10      11.9759      0.00000
     11      11.9853      0.00000
     12      13.3860      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1881      2.00000
      2       1.6175      2.00000
      3       4.7648      2.00000
      4       4.7744      2.00000
      5       6.0263      1.81901
      6       7.0413      0.00079
      7       9.4165      0.00000
      8       9.4257      0.00000
      9       9.8361      0.00000
     10      10.5273      0.00000
     11      12.3280      0.00000
     12      13.2404      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1384      2.00000
      2       1.6587      2.00000
      3       4.1209      2.00000
      4       4.8138      2.00000
      5       6.3898      0.41927
      6       7.4352      0.00002
      7       8.8285      0.00000
      8       9.4635      0.00000
      9       9.8968      0.00000
     10      10.9712      0.00000
     11      12.0697      0.00000
     12      12.5080      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9902      2.00000
      2       1.7689      2.00000
      3       3.1310      2.00000
      4       4.9602      2.00000
      5       6.5661      0.08700
      6       7.9156      0.00000
      7       8.6012      0.00000
      8       9.6001      0.00000
      9      10.0243      0.00000
     10      10.9346      0.00000
     11      11.3296      0.00000
     12      12.6447      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7464      2.00000
      2       1.7618      2.00000
      3       2.3760      2.00000
      4       5.2027      1.99995
      5       6.3585      0.53242
      6       7.4616      0.00001
      7       9.7060      0.00000
      8       9.7372      0.00000
      9      10.0246      0.00000
     10      10.3520      0.00000
     11      11.2943      0.00000
     12      12.4482      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4146      2.00000
      2       1.0794      2.00000
      3       2.4653      2.00000
      4       5.5376      1.99850
      5       5.7138      1.99129
      6       7.5401      0.00001
      7       8.9144      0.00000
      8      10.0072      0.00000
      9      10.2059      0.00000
     10      11.0938      0.00000
     11      11.4336      0.00000
     12      12.6253      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0177      2.00000
      2       0.3253      2.00000
      3       2.8088      2.00000
      4       5.0271      1.99999
      5       5.9515      1.91001
      6       7.8068      0.00000
      7       8.1081      0.00000
      8       9.7693      0.00000
      9      10.5881      0.00000
     10      11.1177      0.00000
     11      12.1625      0.00000
     12      12.9268      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6528      2.00000
      2      -0.2265      2.00000
      3       3.1405      2.00000
      4       4.5189      2.00000
      5       6.3707      0.48596
      6       7.4904      0.00001
      7       8.0538      0.00000
      8       9.4676      0.00000
      9      10.9469      0.00000
     10      11.2469      0.00000
     11      12.3667      0.00000
     12      12.4786      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8602      2.00000
      2       0.7137      2.00000
      3       5.1007      1.99998
      4       5.1103      1.99998
      5       6.3916      0.41340
      6       7.2154      0.00014
      7       8.4821      0.00000
      8       8.4922      0.00000
      9       9.6548      0.00000
     10      11.2276      0.00000
     11      12.0092      0.00000
     12      13.5491      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8101      2.00000
      2       0.7572      2.00000
      3       4.4500      2.00000
      4       5.1496      1.99997
      5       6.6780      0.02927
      6       7.5826      0.00000
      7       8.0418      0.00000
      8       8.5304      0.00000
      9      10.1190      0.00000
     10      11.3388      0.00000
     11      12.1154      0.00000
     12      12.3873      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6605      2.00000
      2       0.8843      2.00000
      3       3.4343      2.00000
      4       5.2958      1.99987
      5       6.4577      0.23701
      6       7.4667      0.00001
      7       8.6740      0.00000
      8       8.8233      0.00000
      9      10.6490      0.00000
     10      11.2479      0.00000
     11      11.4912      0.00000
     12      12.5334      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4142      2.00000
      2       1.0733      2.00000
      3       2.4718      2.00000
      4       5.5380      1.99849
      5       5.7138      1.99130
      6       7.5404      0.00001
      7       8.9070      0.00000
      8      10.0121      0.00000
      9      10.2138      0.00000
     10      11.0874      0.00000
     11      11.4363      0.00000
     12      12.6311      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0780      2.00000
      2       1.1364      2.00000
      3       1.7989      2.00000
      4       4.9144      2.00000
      5       5.8724      1.95817
      6       7.7973      0.00000
      7       9.1163      0.00000
      8       9.3976      0.00000
      9      10.4700      0.00000
     10      11.3122      0.00000
     11      11.9630      0.00000
     12      12.7770      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6730      2.00000
      2       0.5849      2.00000
      3       1.9114      2.00000
      4       4.2095      2.00000
      5       6.2857      0.85772
      6       8.1222      0.00000
      7       8.4324      0.00000
      8       9.6617      0.00000
      9      10.1324      0.00000
     10      11.5130      0.00000
     11      11.9925      0.00000
     12      12.4926      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2919      2.00000
      2       0.0410      2.00000
      3       2.1866      2.00000
      4       3.7232      2.00000
      5       6.7042      0.02260
      6       7.8200      0.00000
      7       8.4064      0.00000
      8       9.7683      0.00000
      9      10.0212      0.00000
     10      11.4254      0.00000
     11      11.6655      0.00000
     12      12.7837      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4708      2.00000
      2      -0.0634      2.00000
      3       5.5168      1.99878
      4       5.5266      1.99866
      5       6.8555      0.00502
      6       7.3390      0.00004
      7       7.6659      0.00000
      8       7.6791      0.00000
      9       8.8377      0.00000
     10      11.4249      0.00000
     11      13.1271      0.00000
     12      13.8957      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4199      2.00000
      2      -0.0195      2.00000
      3       4.8543      2.00000
      4       5.5656      1.99802
      5       6.7513      0.01417
      6       7.4477      0.00001
      7       7.7147      0.00000
      8       7.8908      0.00000
      9       9.3450      0.00000
     10      11.6173      0.00000
     11      12.7678      0.00000
     12      13.0827      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2677      2.00000
      2       0.1102      2.00000
      3       3.8186      2.00000
      4       5.7114      1.99150
      5       5.9160      1.93609
      6       7.5771      0.00000
      7       7.8602      0.00000
      8       8.9580      0.00000
      9      10.1182      0.00000
     10      11.6328      0.00000
     11      12.2113      0.00000
     12      12.8446      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0165      2.00000
      2       0.3180      2.00000
      3       2.8166      2.00000
      4       5.0264      1.99999
      5       5.9531      1.90867
      6       7.8072      0.00000
      7       8.0997      0.00000
      8       9.7708      0.00000
      9      10.5973      0.00000
     10      11.1154      0.00000
     11      12.1766      0.00000
     12      12.9258      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6721      2.00000
      2       0.5781      2.00000
      3       1.9183      2.00000
      4       4.2090      2.00000
      5       6.2869      0.85209
      6       8.1225      0.00000
      7       8.4236      0.00000
      8       9.6708      0.00000
      9      10.1315      0.00000
     10      11.5083      0.00000
     11      11.9916      0.00000
     12      12.5123      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2520      2.00000
      2       0.7161      2.00000
      3       1.2964      2.00000
      4       3.5210      2.00000
      5       6.6998      0.02361
      6       8.4981      0.00000
      7       8.7231      0.00000
      8       8.9547      0.00000
      9      10.1842      0.00000
     10      11.0367      0.00000
     11      11.1911      0.00000
     12      13.5220      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8408      2.00000
      2       0.3329      2.00000
      3       1.3398      2.00000
      4       3.0712      2.00000
      5       7.1197      0.00036
      6       8.2136      0.00000
      7       8.8442      0.00000
      8       9.2114      0.00000
      9       9.9489      0.00000
     10      10.6216      0.00000
     11      10.8956      0.00000
     12      13.4420      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1200      2.00000
      2      -0.6089      2.00000
      3       5.9415      1.91827
      4       5.9520      1.90958
      5       7.0410      0.00079
      6       7.0411      0.00079
      7       7.4124      0.00002
      8       7.4187      0.00002
      9       8.1046      0.00000
     10      11.2720      0.00000
     11      14.1711      0.00000
     12      14.5287      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5663      2.00000
      3       5.2552      1.99991
      4       5.9900      1.87060
      5       6.3385      0.61405
      6       7.0901      0.00048
      7       7.6115      0.00000
      8       8.1202      0.00000
      9       8.6762      0.00000
     10      11.4444      0.00000
     11      13.1130      0.00000
     12      14.1435      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9102      2.00000
      2      -0.4399      2.00000
      3       4.1876      2.00000
      4       5.4059      1.99960
      5       6.1351      1.54405
      6       7.2369      0.00011
      7       7.7941      0.00000
      8       8.9616      0.00000
      9       9.8288      0.00000
     10      11.9881      0.00000
     11      11.9882      0.00000
     12      13.3991      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6496      2.00000
      2      -0.2357      2.00000
      3       3.1503      2.00000
      4       4.5165      2.00000
      5       6.3758      0.46750
      6       7.4785      0.00001
      7       8.0546      0.00000
      8       9.4670      0.00000
      9      10.9588      0.00000
     10      11.2479      0.00000
     11      12.3632      0.00000
     12      12.4942      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2888      2.00000
      2       0.0315      2.00000
      3       2.1956      2.00000
      4       3.7213      2.00000
      5       6.7089      0.02158
      6       7.8076      0.00000
      7       8.4073      0.00000
      8       9.7658      0.00000
      9      10.0330      0.00000
     10      11.4219      0.00000
     11      11.6620      0.00000
     12      12.8054      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8382      2.00000
      2       0.3231      2.00000
      3       1.3483      2.00000
      4       3.0701      2.00000
      5       7.1233      0.00035
      6       8.2002      0.00000
      7       8.8451      0.00000
      8       9.2239      0.00000
      9       9.9459      0.00000
     10      10.6191      0.00000
     11      10.8976      0.00000
     12      13.4424      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3580      2.00000
      2       0.5049      2.00000
      3       0.7121      2.00000
      4       2.6642      2.00000
      5       7.5533      0.00000
      6       8.5268      0.00000
      7       8.6286      0.00000
      8       9.3143      0.00000
      9      10.0077      0.00000
     10      10.0549      0.00000
     11      10.2866      0.00000
     12      13.3365      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5274      2.00000
      2       3.5609      2.00000
      3       3.8355      2.00000
      4       4.4340      2.00000
      5       5.9360      1.92245
      6       6.5017      0.15934
      7       7.9483      0.00000
      8      10.8326      0.00000
      9      11.4738      0.00000
     10      11.8662      0.00000
     11      12.3646      0.00000
     12      12.8501      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4781      2.00000
      2       3.6116      2.00000
      3       3.6172      2.00000
      4       4.0632      2.00000
      5       6.5521      0.09946
      6       6.5584      0.09361
      7       8.0733      0.00000
      8      10.7449      0.00000
      9      10.7490      0.00000
     10      11.3263      0.00000
     11      12.6498      0.00000
     12      13.3146      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3308      2.00000
      2       2.6859      2.00000
      3       3.7635      2.00000
      4       4.1203      2.00000
      5       6.7018      0.02314
      6       7.2995      0.00006
      7       8.6624      0.00000
      8       9.7013      0.00000
      9      10.0570      0.00000
     10      11.1884      0.00000
     11      12.2584      0.00000
     12      13.2463      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0889      2.00000
      2       1.7073      2.00000
      3       4.0154      2.00000
      4       4.3331      2.00000
      5       6.9442      0.00207
      6       7.5934      0.00000
      7       8.6992      0.00000
      8       9.0960      0.00000
      9       9.9722      0.00000
     10      11.3700      0.00000
     11      11.4265      0.00000
     12      12.7848      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7605      2.00000
      2       0.8078      2.00000
      3       4.3652      2.00000
      4       4.6301      2.00000
      5       7.2167      0.00014
      6       7.6003      0.00000
      7       7.8494      0.00000
      8       8.4810      0.00000
      9      10.5663      0.00000
     10      11.3312      0.00000
     11      11.6425      0.00000
     12      12.4386      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3703      2.00000
      2       0.0318      2.00000
      3       4.8052      2.00000
      4       4.9794      1.99999
      5       6.8268      0.00669
      6       7.2143      0.00014
      7       7.8607      0.00000
      8       8.2995      0.00000
      9       9.7588      0.00000
     10      11.6880      0.00000
     11      12.0805      0.00000
     12      13.2471      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0181      2.00000
      2      -0.5144      2.00000
      3       5.2822      1.99988
      4       5.2881      1.99988
      5       6.1779      1.37623
      6       6.7950      0.00917
      7       8.3168      0.00000
      8       8.3723      0.00000
      9       9.0356      0.00000
     10      11.5681      0.00000
     11      12.3615      0.00000
     12      13.8889      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3803      2.00000
      2       2.6430      2.00000
      3       3.8786      2.00000
      4       4.5807      2.00000
      5       6.1471      1.50022
      6       7.1296      0.00032
      7       8.6154      0.00000
      8       9.8245      0.00000
      9      10.5020      0.00000
     10      11.7812      0.00000
     11      11.8622      0.00000
     12      12.8802      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3308      2.00000
      2       2.6790      2.00000
      3       3.7676      2.00000
      4       4.1242      2.00000
      5       6.7065      0.02211
      6       7.2967      0.00006
      7       8.6601      0.00000
      8       9.6990      0.00000
      9      10.0527      0.00000
     10      11.1962      0.00000
     11      12.2598      0.00000
     12      13.2349      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1832      2.00000
      2       2.6343      2.00000
      3       3.0700      2.00000
      4       4.1423      2.00000
      5       7.0869      0.00050
      6       8.0868      0.00000
      7       8.7045      0.00000
      8       9.0967      0.00000
      9       9.8192      0.00000
     10      10.4920      0.00000
     11      12.4835      0.00000
     12      13.1065      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9406      2.00000
      2       1.8199      2.00000
      3       3.1465      2.00000
      4       4.3579      2.00000
      5       7.1862      0.00018
      6       8.0218      0.00000
      7       8.4985      0.00000
      8       9.1922      0.00000
      9       9.9015      0.00000
     10      10.6011      0.00000
     11      11.9372      0.00000
     12      13.1264      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6108      2.00000
      2       0.9358      2.00000
      3       3.4576      2.00000
      4       4.6612      2.00000
      5       6.7402      0.01583
      6       7.8609      0.00000
      7       8.0775      0.00000
      8       9.1122      0.00000
      9      10.5272      0.00000
     10      11.1495      0.00000
     11      11.6980      0.00000
     12      12.8304      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2181      2.00000
      2       0.1622      2.00000
      3       3.8487      2.00000
      4       5.0180      1.99999
      5       6.0503      1.77553
      6       7.3035      0.00006
      7       8.2554      0.00000
      8       9.2700      0.00000
      9      10.4535      0.00000
     10      10.9402      0.00000
     11      12.3299      0.00000
     12      13.1591      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8610      2.00000
      2      -0.3873      2.00000
      3       4.2240      2.00000
      4       5.2809      1.99988
      5       5.5662      1.99800
      6       6.8078      0.00808
      7       8.5581      0.00000
      8       9.4132      0.00000
      9       9.9442      0.00000
     10      11.2801      0.00000
     11      11.9802      0.00000
     12      13.0401      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1384      2.00000
      2       1.6587      2.00000
      3       4.1129      2.00000
      4       4.8238      2.00000
      5       6.3909      0.41560
      6       7.4327      0.00002
      7       8.8199      0.00000
      8       9.4729      0.00000
      9       9.8970      0.00000
     10      10.9725      0.00000
     11      12.0719      0.00000
     12      12.5043      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0887      2.00000
      2       1.7006      2.00000
      3       4.0196      2.00000
      4       4.3375      2.00000
      5       6.9485      0.00199
      6       7.5924      0.00000
      7       8.6978      0.00000
      8       9.0945      0.00000
      9       9.9663      0.00000
     10      11.3643      0.00000
     11      11.4424      0.00000
     12      12.7737      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9404      2.00000
      2       1.8136      2.00000
      3       3.1533      2.00000
      4       4.3582      2.00000
      5       7.1864      0.00018
      6       8.0216      0.00000
      7       8.5023      0.00000
      8       9.1883      0.00000
      9       9.8994      0.00000
     10      10.6051      0.00000
     11      11.9336      0.00000
     12      13.1389      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6964      2.00000
      2       1.8137      2.00000
      3       2.4040      2.00000
      4       4.5709      2.00000
      5       6.6604      0.03481
      6       7.9136      0.00000
      7       8.9543      0.00000
      8       9.4176      0.00000
      9       9.9122      0.00000
     10      10.6798      0.00000
     11      11.9756      0.00000
     12      12.8222      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3643      2.00000
      2       1.1268      2.00000
      3       2.5032      2.00000
      4       4.8486      2.00000
      5       5.9075      1.94115
      6       8.0914      0.00000
      7       8.3544      0.00000
      8       9.5989      0.00000
      9      10.3411      0.00000
     10      11.5356      0.00000
     11      11.7915      0.00000
     12      12.8203      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9668      2.00000
      2       0.3714      2.00000
      3       2.8522      2.00000
      4       4.9224      2.00000
      5       5.4859      1.99911
      6       7.5323      0.00001
      7       8.5207      0.00000
      8       9.9281      0.00000
      9      10.3420      0.00000
     10      11.2546      0.00000
     11      12.3479      0.00000
     12      12.8006      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.6004      2.00000
      2      -0.1818      2.00000
      3       3.1897      2.00000
      4       4.5192      2.00000
      5       5.7160      1.99111
      6       7.0051      0.00113
      7       8.8187      0.00000
      8       9.9968      0.00000
      9      10.3094      0.00000
     10      11.2888      0.00000
     11      11.8110      0.00000
     12      13.0893      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8101      2.00000
      2       0.7572      2.00000
      3       4.4418      2.00000
      4       5.1598      1.99997
      5       6.6789      0.02903
      6       7.5817      0.00000
      7       8.0315      0.00000
      8       8.5405      0.00000
      9      10.1196      0.00000
     10      11.3382      0.00000
     11      12.1128      0.00000
     12      12.3899      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7600      2.00000
      2       0.8011      2.00000
      3       4.3696      2.00000
      4       4.6351      2.00000
      5       7.2177      0.00013
      6       7.6011      0.00000
      7       7.8492      0.00000
      8       8.4798      0.00000
      9      10.5657      0.00000
     10      11.3335      0.00000
     11      11.6529      0.00000
     12      12.4208      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6104      2.00000
      2       0.9292      2.00000
      3       3.4650      2.00000
      4       4.6617      2.00000
      5       6.7398      0.01589
      6       7.8603      0.00000
      7       8.0755      0.00000
      8       9.1155      0.00000
      9      10.5325      0.00000
     10      11.1515      0.00000
     11      11.6950      0.00000
     12      12.8263      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3639      2.00000
      2       1.1207      2.00000
      3       2.5097      2.00000
      4       4.8489      2.00000
      5       5.9074      1.94119
      6       8.0912      0.00000
      7       8.3493      0.00000
      8       9.6041      0.00000
      9      10.3472      0.00000
     10      11.5390      0.00000
     11      11.7807      0.00000
     12      12.8257      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0275      2.00000
      2       1.1886      2.00000
      3       1.8363      2.00000
      4       4.8119      2.00000
      5       5.4322      1.99948
      6       8.4032      0.00000
      7       8.4246      0.00000
      8       8.9558      0.00000
      9      11.1858      0.00000
     10      11.8019      0.00000
     11      12.0719      0.00000
     12      12.1299      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6219      2.00000
      2       0.6335      2.00000
      3       1.9559      2.00000
      4       4.2166      2.00000
      5       5.6966      1.99267
      6       7.8245      0.00000
      7       8.8193      0.00000
      8       9.0822      0.00000
      9      10.8209      0.00000
     10      11.4666      0.00000
     11      12.1799      0.00000
     12      12.6117      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2397      2.00000
      2       0.0876      2.00000
      3       2.2367      2.00000
      4       3.7407      2.00000
      5       6.0466      1.78268
      6       7.2872      0.00007
      7       9.1546      0.00000
      8       9.3695      0.00000
      9      10.3107      0.00000
     10      11.0889      0.00000
     11      12.4005      0.00000
     12      12.8526      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4199      2.00000
      2      -0.0195      2.00000
      3       4.8459      2.00000
      4       5.5761      1.99780
      5       6.7489      0.01452
      6       7.4445      0.00001
      7       7.7260      0.00000
      8       7.8854      0.00000
      9       9.3444      0.00000
     10      11.6155      0.00000
     11      12.7699      0.00000
     12      13.0827      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3689      2.00000
      2       0.0245      2.00000
      3       4.8102      2.00000
      4       4.9855      1.99999
      5       6.8225      0.00698
      6       7.2123      0.00014
      7       7.8669      0.00000
      8       8.2999      0.00000
      9       9.7581      0.00000
     10      11.6929      0.00000
     11      12.0910      0.00000
     12      13.2272      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2168      2.00000
      2       0.1549      2.00000
      3       3.8572      2.00000
      4       5.0193      1.99999
      5       6.0493      1.77744
      6       7.2979      0.00006
      7       8.2563      0.00000
      8       9.2755      0.00000
      9      10.4489      0.00000
     10      10.9531      0.00000
     11      12.3390      0.00000
     12      13.1449      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9656      2.00000
      2       0.3641      2.00000
      3       2.8600      2.00000
      4       4.9223      2.00000
      5       5.4864      1.99910
      6       7.5262      0.00001
      7       8.5203      0.00000
      8       9.9343      0.00000
      9      10.3448      0.00000
     10      11.2578      0.00000
     11      12.3455      0.00000
     12      12.8105      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6210      2.00000
      2       0.6266      2.00000
      3       1.9628      2.00000
      4       4.2161      2.00000
      5       5.6974      1.99261
      6       7.8183      0.00000
      7       8.8174      0.00000
      8       9.0906      0.00000
      9      10.8196      0.00000
     10      11.4664      0.00000
     11      12.1698      0.00000
     12      12.6362      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.2007      2.00000
      2       0.7684      2.00000
      3       1.3406      2.00000
      4       3.5419      2.00000
      5       6.0789      1.71183
      6       8.0139      0.00000
      7       8.4393      0.00000
      8       9.2118      0.00000
      9      10.6969      0.00000
     10      10.9761      0.00000
     11      11.7543      0.00000
     12      13.9293      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7888      2.00000
      2       0.3823      2.00000
      3       1.3904      2.00000
      4       3.0928      2.00000
      5       6.4656      0.22109
      6       7.6082      0.00000
      7       8.5567      0.00000
      8       9.5781      0.00000
      9      10.1472      0.00000
     10      10.7952      0.00000
     11      11.6470      0.00000
     12      13.8591      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0675      2.00000
      2      -0.5663      2.00000
      3       5.2460      1.99992
      4       6.0014      1.85602
      5       6.3341      0.63294
      6       7.0950      0.00046
      7       7.6161      0.00000
      8       8.1171      0.00000
      9       8.6732      0.00000
     10      11.4431      0.00000
     11      13.1152      0.00000
     12      14.1412      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2      -0.5234      2.00000
      3       5.2780      1.99989
      4       5.3096      1.99985
      5       6.1699      1.41017
      6       6.7906      0.00959
      7       8.3167      0.00000
      8       8.3846      0.00000
      9       9.0301      0.00000
     10      11.5686      0.00000
     11      12.3746      0.00000
     12      13.8852      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8577      2.00000
      2      -0.3964      2.00000
      3       4.2349      2.00000
      4       5.2825      1.99988
      5       5.5642      1.99804
      6       6.8004      0.00870
      7       8.5590      0.00000
      8       9.4196      0.00000
      9       9.9418      0.00000
     10      11.2930      0.00000
     11      11.9825      0.00000
     12      13.0378      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5972      2.00000
      2      -0.1911      2.00000
      3       3.1995      2.00000
      4       4.5169      2.00000
      5       5.7188      1.99085
      6       6.9967      0.00123
      7       8.8191      0.00000
      8       9.9965      0.00000
      9      10.3163      0.00000
     10      11.2967      0.00000
     11      11.8093      0.00000
     12      13.0961      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2366      2.00000
      2       0.0780      2.00000
      3       2.2457      2.00000
      4       3.7388      2.00000
      5       6.0497      1.77673
      6       7.2783      0.00007
      7       9.1521      0.00000
      8       9.3816      0.00000
      9      10.3075      0.00000
     10      11.0871      0.00000
     11      12.3891      0.00000
     12      12.8836      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7861      2.00000
      2       0.3725      2.00000
      3       1.3989      2.00000
      4       3.0917      2.00000
      5       6.4681      0.21622
      6       7.5986      0.00000
      7       8.5648      0.00000
      8       9.5797      0.00000
      9      10.1454      0.00000
     10      10.7919      0.00000
     11      11.6495      0.00000
     12      13.8598      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.3060      2.00000
      2       0.5573      2.00000
      3       0.7631      2.00000
      4       2.6850      2.00000
      5       6.9065      0.00302
      6       7.8170      0.00000
      7       7.9746      0.00000
      8       9.7175      0.00000
      9      10.0805      0.00000
     10      10.8054      0.00000
     11      11.0595      0.00000
     12      13.7192      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2327      2.00000
      2       2.5788      2.00000
      3       3.0684      2.00000
      4       4.7273      2.00000
      5       6.4101      0.35593
      6       8.0437      0.00000
      7       8.6492      0.00000
      8       9.1532      0.00000
      9      10.4971      0.00000
     10      10.8529      0.00000
     11      11.8517      0.00000
     12      12.6340      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1832      2.00000
      2       2.6304      2.00000
      3       3.0677      2.00000
      4       4.1499      2.00000
      5       7.0910      0.00048
      6       8.0846      0.00000
      7       8.6984      0.00000
      8       9.0946      0.00000
      9       9.8216      0.00000
     10      10.4972      0.00000
     11      12.4880      0.00000
     12      13.1116      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0352      2.00000
      2       2.7846      2.00000
      3       2.7899      2.00000
      4       3.5468      2.00000
      5       8.1574      0.00000
      6       8.1580      0.00000
      7       8.8439      0.00000
      8       8.8550      0.00000
      9       8.8575      0.00000
     10      10.1773      0.00000
     11      13.0604      0.00000
     12      13.7769      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7920      2.00000
      2       1.9443      2.00000
      3       3.0409      2.00000
      4       3.6065      2.00000
      5       7.6328      0.00000
      6       7.9943      0.00000
      7       8.6133      0.00000
      8       9.0806      0.00000
      9       9.3105      0.00000
     10      10.5960      0.00000
     11      12.7749      0.00000
     12      13.6601      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4610      2.00000
      2       1.0674      2.00000
      3       3.3972      2.00000
      4       3.8459      2.00000
      5       6.7364      0.01643
      6       7.3085      0.00005
      7       8.9194      0.00000
      8       9.3938      0.00000
      9       9.6664      0.00000
     10      11.8305      0.00000
     11      12.0281      0.00000
     12      12.9341      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2       0.2948      2.00000
      3       3.8475      2.00000
      4       4.1339      2.00000
      5       5.9034      1.94340
      6       6.6931      0.02521
      7       9.3538      0.00000
      8       9.6913      0.00000
      9       9.9350      0.00000
     10      11.2592      0.00000
     11      12.1545      0.00000
     12      12.9767      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.7040      2.00000
      2      -0.2582      2.00000
      3       4.3539      2.00000
      4       4.3635      2.00000
      5       5.2030      1.99995
      6       6.2947      0.81386
      7       9.8252      0.00000
      8       9.8744      0.00000
      9      10.2651      0.00000
     10      10.5646      0.00000
     11      11.5954      0.00000
     12      12.9164      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9902      2.00000
      2       1.7685      2.00000
      3       3.1243      2.00000
      4       4.9703      1.99999
      5       6.5677      0.08572
      6       7.9136      0.00000
      7       8.5916      0.00000
      8       9.6095      0.00000
      9      10.0246      0.00000
     10      10.9340      0.00000
     11      11.3392      0.00000
     12      12.6389      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9404      2.00000
      2       1.8133      2.00000
      3       3.1469      2.00000
      4       4.3661      2.00000
      5       7.1879      0.00018
      6       8.0206      0.00000
      7       8.4977      0.00000
      8       9.1922      0.00000
      9       9.8995      0.00000
     10      10.6069      0.00000
     11      11.9389      0.00000
     12      13.1351      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7918      2.00000
      2       1.9380      2.00000
      3       3.0449      2.00000
      4       3.6095      2.00000
      5       7.6294      0.00000
      6       7.9952      0.00000
      7       8.6149      0.00000
      8       9.0837      0.00000
      9       9.3122      0.00000
     10      10.5937      0.00000
     11      12.7754      0.00000
     12      13.6506      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5473      2.00000
      2       1.9693      2.00000
      3       2.4553      2.00000
      4       3.6292      2.00000
      5       6.8658      0.00453
      6       7.9166      0.00000
      7       8.5385      0.00000
      8       9.0995      0.00000
      9      10.0728      0.00000
     10      10.9292      0.00000
     11      13.0654      0.00000
     12      13.0754      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2141      2.00000
      2       1.2668      2.00000
      3       2.6035      2.00000
      4       3.8853      2.00000
      5       6.0137      1.83876
      6       7.3205      0.00005
      7       8.6465      0.00000
      8       9.4131      0.00000
      9      10.6274      0.00000
     10      11.8681      0.00000
     11      12.3501      0.00000
     12      12.6908      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8145      2.00000
      2       0.5082      2.00000
      3       2.9757      2.00000
      4       4.1940      2.00000
      5       5.2641      1.99990
      6       6.6688      0.03206
      7       8.9693      0.00000
      8       9.7712      0.00000
      9      10.8959      0.00000
     10      11.3877      0.00000
     11      12.0372      0.00000
     12      13.5634      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4438      2.00000
      2      -0.0491      2.00000
      3       3.3355      2.00000
      4       4.4061      2.00000
      5       4.7664      2.00000
      6       6.2279      1.14475
      7       9.2503      0.00000
      8      10.1301      0.00000
      9      10.8104      0.00000
     10      11.1106      0.00000
     11      11.5760      0.00000
     12      13.5015      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6605      2.00000
      2       0.8842      2.00000
      3       3.4272      2.00000
      4       5.3061      1.99985
      5       6.4556      0.24159
      6       7.4659      0.00001
      7       8.6836      0.00000
      8       8.8171      0.00000
      9      10.6517      0.00000
     10      11.2512      0.00000
     11      11.4917      0.00000
     12      12.5257      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6103      2.00000
      2       0.9291      2.00000
      3       3.4582      2.00000
      4       4.6697      2.00000
      5       6.7365      0.01641
      6       7.8581      0.00000
      7       8.0859      0.00000
      8       9.1112      0.00000
      9      10.5342      0.00000
     10      11.1544      0.00000
     11      11.6948      0.00000
     12      12.8219      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4605      2.00000
      2       1.0608      2.00000
      3       3.4014      2.00000
      4       3.8496      2.00000
      5       6.7338      0.01687
      6       7.3066      0.00006
      7       8.9216      0.00000
      8       9.3962      0.00000
      9       9.6753      0.00000
     10      11.8273      0.00000
     11      12.0290      0.00000
     12      12.9299      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2137      2.00000
      2       1.2606      2.00000
      3       2.6100      2.00000
      4       3.8857      2.00000
      5       6.0134      1.83922
      6       7.3163      0.00005
      7       8.6499      0.00000
      8       9.4151      0.00000
      9      10.6349      0.00000
     10      11.8630      0.00000
     11      12.3491      0.00000
     12      12.6875      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8766      2.00000
      2       1.3449      2.00000
      3       1.9427      2.00000
      4       4.1166      2.00000
      5       5.2404      1.99992
      6       7.3383      0.00004
      7       8.0493      0.00000
      8       9.7294      0.00000
      9      11.2791      0.00000
     10      11.8830      0.00000
     11      12.5397      0.00000
     12      12.7925      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4693      2.00000
      2       0.7781      2.00000
      3       2.0870      2.00000
      4       4.1388      2.00000
      5       4.8429      2.00000
      6       6.8558      0.00501
      7       8.1203      0.00000
      8      10.0369      0.00000
      9      10.6852      0.00000
     10      11.9994      0.00000
     11      12.8469      0.00000
     12      13.3120      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0834      2.00000
      2       0.2261      2.00000
      3       2.3861      2.00000
      4       3.7791      2.00000
      5       5.0076      1.99999
      6       6.3918      0.41259
      7       8.3379      0.00000
      8      10.0620      0.00000
      9      10.5360      0.00000
     10      11.6806      0.00000
     11      13.0055      0.00000
     12      13.6608      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2676      2.00000
      2       0.1101      2.00000
      3       3.8113      2.00000
      4       5.7220      1.99055
      5       5.9115      1.93877
      6       7.5744      0.00000
      7       7.8737      0.00000
      8       8.9546      0.00000
      9      10.1174      0.00000
     10      11.6353      0.00000
     11      12.2063      0.00000
     12      12.8434      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2167      2.00000
      2       0.1549      2.00000
      3       3.8499      2.00000
      4       5.0270      1.99999
      5       6.0461      1.78376
      6       7.3019      0.00006
      7       8.2629      0.00000
      8       9.2707      0.00000
      9      10.4517      0.00000
     10      10.9520      0.00000
     11      12.3358      0.00000
     12      13.1461      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0645      2.00000
      2       0.2875      2.00000
      3       3.8524      2.00000
      4       4.1385      2.00000
      5       5.9004      1.94507
      6       6.6902      0.02597
      7       9.3562      0.00000
      8       9.6916      0.00000
      9       9.9485      0.00000
     10      11.2592      0.00000
     11      12.1570      0.00000
     12      12.9805      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8132      2.00000
      2       0.5009      2.00000
      3       2.9834      2.00000
      4       4.1949      2.00000
      5       5.2630      1.99990
      6       6.6636      0.03374
      7       8.9739      0.00000
      8       9.7734      0.00000
      9      10.9051      0.00000
     10      11.3852      0.00000
     11      12.0366      0.00000
     12      13.5808      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4684      2.00000
      2       0.7712      2.00000
      3       2.0941      2.00000
      4       4.1387      2.00000
      5       4.8430      2.00000
      6       6.8506      0.00528
      7       8.1255      0.00000
      8      10.0374      0.00000
      9      10.6854      0.00000
     10      12.0003      0.00000
     11      12.8422      0.00000
     12      13.3269      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0473      2.00000
      2       0.9253      2.00000
      3       1.4712      2.00000
      4       3.5920      2.00000
      5       5.0833      1.99998
      6       6.9429      0.00210
      7       7.5425      0.00001
      8       9.8507      0.00000
      9      10.6228      0.00000
     10      12.2745      0.00000
     11      12.9036      0.00000
     12      14.0820      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6329      2.00000
      2       0.5298      2.00000
      3       1.5415      2.00000
      4       3.1532      2.00000
      5       5.4220      1.99953
      6       6.6155      0.05401
      7       7.5306      0.00001
      8       9.4986      0.00000
      9      10.9329      0.00000
     10      11.9990      0.00000
     11      12.9227      0.00000
     12      14.5547      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9101      2.00000
      2      -0.4399      2.00000
      3       4.1796      2.00000
      4       5.4015      1.99962
      5       6.1467      1.50175
      6       7.2418      0.00011
      7       7.7990      0.00000
      8       8.9638      0.00000
      9       9.8219      0.00000
     10      11.9772      0.00000
     11      11.9982      0.00000
     12      13.3955      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8577      2.00000
      2      -0.3964      2.00000
      3       4.2269      2.00000
      4       5.2834      1.99988
      5       5.5692      1.99794
      6       6.8044      0.00836
      7       8.5654      0.00000
      8       9.4195      0.00000
      9       9.9373      0.00000
     10      11.2937      0.00000
     11      11.9799      0.00000
     12      13.0365      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.7007      2.00000
      2      -0.2674      2.00000
      3       4.3505      2.00000
      4       4.3817      2.00000
      5       5.1957      1.99995
      6       6.2908      0.83272
      7       9.8272      0.00000
      8       9.8786      0.00000
      9      10.2786      0.00000
     10      10.5638      0.00000
     11      11.5949      0.00000
     12      12.9157      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4404      2.00000
      2      -0.0585      2.00000
      3       3.3455      2.00000
      4       4.4075      2.00000
      5       4.7636      2.00000
      6       6.2218      1.17431
      7       9.2563      0.00000
      8      10.1328      0.00000
      9      10.8088      0.00000
     10      11.1167      0.00000
     11      11.5778      0.00000
     12      13.5048      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0802      2.00000
      2       0.2164      2.00000
      3       2.3954      2.00000
      4       3.7772      2.00000
      5       5.0092      1.99999
      6       6.3847      0.43646
      7       8.3447      0.00000
      8      10.0610      0.00000
      9      10.5378      0.00000
     10      11.6776      0.00000
     11      13.0058      0.00000
     12      13.6804      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6302      2.00000
      2       0.5197      2.00000
      3       1.5502      2.00000
      4       3.1520      2.00000
      5       5.4238      1.99952
      6       6.6079      0.05813
      7       7.5372      0.00001
      8       9.4979      0.00000
      9      10.9344      0.00000
     10      11.9942      0.00000
     11      12.9251      0.00000
     12      14.5708      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1502      2.00000
      2       0.7144      2.00000
      3       0.9156      2.00000
      4       2.7449      2.00000
      5       5.8647      1.96121
      6       6.7436      0.01530
      7       6.9385      0.00219
      8       9.1458      0.00000
      9      11.3759      0.00000
     10      12.1291      0.00000
     11      12.3537      0.00000
     12      14.6351      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7462      2.00000
      2       1.7581      2.00000
      3       2.3732      2.00000
      4       5.2131      1.99994
      5       6.3564      0.54047
      6       7.4613      0.00001
      7       9.7067      0.00000
      8       9.7392      0.00000
      9      10.0294      0.00000
     10      10.3501      0.00000
     11      11.3009      0.00000
     12      12.4458      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6963      2.00000
      2       1.8100      2.00000
      3       2.4013      2.00000
      4       4.5790      2.00000
      5       6.6572      0.03591
      6       7.9153      0.00000
      7       8.9588      0.00000
      8       9.4243      0.00000
      9       9.9060      0.00000
     10      10.6801      0.00000
     11      11.9808      0.00000
     12      12.8217      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5472      2.00000
      2       1.9656      2.00000
      3       2.4535      2.00000
      4       3.6354      2.00000
      5       6.8616      0.00473
      6       7.9200      0.00000
      7       8.5343      0.00000
      8       9.1150      0.00000
      9      10.0655      0.00000
     10      10.9279      0.00000
     11      13.0712      0.00000
     12      13.0715      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.3016      2.00000
      2       2.2240      2.00000
      3       2.2291      2.00000
      4       3.0625      2.00000
      5       6.8981      0.00328
      6       6.9017      0.00317
      7       7.9359      0.00000
      8      10.3141      0.00000
      9      10.3243      0.00000
     10      11.1675      0.00000
     11      12.3416      0.00000
     12      13.7458      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9664      2.00000
      2       1.4855      2.00000
      3       2.5834      2.00000
      4       3.1494      2.00000
      5       5.9584      1.90395
      6       6.5472      0.10413
      7       7.8176      0.00000
      8      10.6570      0.00000
      9      10.8570      0.00000
     10      11.3782      0.00000
     11      12.5413      0.00000
     12      13.5736      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5628      2.00000
      2       0.7296      2.00000
      3       3.0381      2.00000
      4       3.3888      2.00000
      5       5.1102      1.99998
      6       6.0300      1.81288
      7       8.0319      0.00000
      8      10.4512      0.00000
      9      11.0903      0.00000
     10      11.5066      0.00000
     11      12.9374      0.00000
     12      13.9200      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1840      2.00000
      2       0.1665      2.00000
      3       3.5512      2.00000
      4       3.5846      2.00000
      5       4.3993      2.00000
      6       5.6772      1.99395
      7       8.2543      0.00000
      8      10.0672      0.00000
      9      11.5903      0.00000
     10      11.6273      0.00000
     11      12.2959      0.00000
     12      14.0100      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4140      2.00000
      2       1.0729      2.00000
      3       2.4655      2.00000
      4       5.5485      1.99833
      5       5.7095      1.99166
      6       7.5415      0.00001
      7       8.9171      0.00000
      8      10.0099      0.00000
      9      10.2148      0.00000
     10      11.0983      0.00000
     11      11.4293      0.00000
     12      12.6241      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3638      2.00000
      2       1.1203      2.00000
      3       2.5035      2.00000
      4       4.8563      2.00000
      5       5.9042      1.94300
      6       8.0890      0.00000
      7       8.3617      0.00000
      8       9.6091      0.00000
      9      10.3413      0.00000
     10      11.5432      0.00000
     11      11.7818      0.00000
     12      12.8191      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2136      2.00000
      2       1.2603      2.00000
      3       2.6041      2.00000
      4       3.8923      2.00000
      5       6.0095      1.84483
      6       7.3207      0.00005
      7       8.6472      0.00000
      8       9.4280      0.00000
      9      10.6260      0.00000
     10      11.8630      0.00000
     11      12.3493      0.00000
     12      12.6932      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9661      2.00000
      2       1.4791      2.00000
      3       2.5874      2.00000
      4       3.1524      2.00000
      5       5.9560      1.90610
      6       6.5461      0.10529
      7       7.8211      0.00000
      8      10.6647      0.00000
      9      10.8604      0.00000
     10      11.3724      0.00000
     11      12.5384      0.00000
     12      13.5745      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6274      2.00000
      2       1.6047      2.00000
      3       2.0817      2.00000
      4       3.2248      2.00000
      5       5.3127      1.99984
      6       6.3070      0.75541
      7       7.2565      0.00009
      8      10.3493      0.00000
      9      11.2263      0.00000
     10      12.2120      0.00000
     11      13.0065      0.00000
     12      13.9519      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2171      2.00000
      2       1.0142      2.00000
      3       2.2924      2.00000
      4       3.5045      2.00000
      5       4.5865      2.00000
      6       5.9211      1.93282
      7       7.2050      0.00015
      8       9.7528      0.00000
      9      11.6106      0.00000
     10      12.7676      0.00000
     11      13.6241      0.00000
     12      14.2373      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8243      2.00000
      2       0.4521      2.00000
      3       2.6317      2.00000
      4       3.7118      2.00000
      5       4.0850      2.00000
      6       5.5540      1.99823
      7       7.3361      0.00004
      8       9.3745      0.00000
      9      11.9711      0.00000
     10      12.8722      0.00000
     11      13.3043      0.00000
     12      14.9029      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0163      2.00000
      2       0.3180      2.00000
      3       2.8098      2.00000
      4       5.0218      1.99999
      5       5.9640      1.89864
      6       7.8047      0.00000
      7       8.1133      0.00000
      8       9.7739      0.00000
      9      10.5964      0.00000
     10      11.1197      0.00000
     11      12.1665      0.00000
     12      12.9251      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9654      2.00000
      2       0.3641      2.00000
      3       2.8532      2.00000
      4       4.9212      2.00000
      5       5.4921      1.99905
      6       7.5307      0.00001
      7       8.5268      0.00000
      8       9.9388      0.00000
      9      10.3454      0.00000
     10      11.2543      0.00000
     11      12.3469      0.00000
     12      12.8056      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8131      2.00000
      2       0.5009      2.00000
      3       2.9768      2.00000
      4       4.2011      2.00000
      5       5.2606      1.99991
      6       6.6677      0.03241
      7       8.9718      0.00000
      8       9.7860      0.00000
      9      10.8972      0.00000
     10      11.3854      0.00000
     11      12.0395      0.00000
     12      13.5790      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5616      2.00000
      2       0.7222      2.00000
      3       3.0427      2.00000
      4       3.3927      2.00000
      5       5.1073      1.99998
      6       6.0272      1.81752
      7       8.0371      0.00000
      8      10.4515      0.00000
      9      11.0994      0.00000
     10      11.5072      0.00000
     11      12.9379      0.00000
     12      13.9330      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2162      2.00000
      2       1.0070      2.00000
      3       2.2996      2.00000
      4       3.5051      2.00000
      5       4.5854      2.00000
      6       5.9172      1.93535
      7       7.2095      0.00015
      8       9.7525      0.00000
      9      11.6120      0.00000
     10      12.7743      0.00000
     11      13.6216      0.00000
     12      14.2350      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7934      2.00000
      2       1.1858      2.00000
      3       1.6800      2.00000
      4       3.5578      2.00000
      5       4.2300      2.00000
      6       5.9066      1.94165
      7       6.6374      0.04361
      8       9.1752      0.00000
      9      12.0146      0.00000
     10      13.6266      0.00000
     11      14.1883      0.00000
     12      14.3715      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3743      2.00000
      2       0.7721      2.00000
      3       1.7910      2.00000
      4       3.2341      2.00000
      5       4.4071      2.00000
      6       5.6433      1.99569
      7       6.5250      0.12835
      8       8.8340      0.00000
      9      12.3919      0.00000
     10      13.3765      0.00000
     11      14.3247      0.00000
     12      14.8112      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6493      2.00000
      2      -0.2357      2.00000
      3       3.1428      2.00000
      4       4.5123      2.00000
      5       6.3879      0.42568
      6       7.4834      0.00001
      7       8.0592      0.00000
      8       9.4726      0.00000
      9      10.9524      0.00000
     10      11.2545      0.00000
     11      12.3615      0.00000
     12      12.4864      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5970      2.00000
      2      -0.1911      2.00000
      3       3.1920      2.00000
      4       4.5130      2.00000
      5       5.7286      1.98991
      6       7.0014      0.00117
      7       8.8250      0.00000
      8      10.0018      0.00000
      9      10.3194      0.00000
     10      11.2890      0.00000
     11      11.8089      0.00000
     12      13.0899      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4403      2.00000
      2      -0.0585      2.00000
      3       3.3380      2.00000
      4       4.4080      2.00000
      5       4.7685      2.00000
      6       6.2252      1.15796
      7       9.2548      0.00000
      8      10.1445      0.00000
      9      10.8106      0.00000
     10      11.1146      0.00000
     11      11.5722      0.00000
     12      13.4999      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1805      2.00000
      2       0.1569      2.00000
      3       3.5540      2.00000
      4       3.5954      2.00000
      5       4.3922      2.00000
      6       5.6736      1.99417
      7       8.2607      0.00000
      8      10.0661      0.00000
      9      11.5954      0.00000
     10      11.6398      0.00000
     11      12.2904      0.00000
     12      14.0114      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8209      2.00000
      2       0.4422      2.00000
      3       2.6413      2.00000
      4       3.7132      2.00000
      5       4.0818      2.00000
      6       5.5487      1.99832
      7       7.3421      0.00004
      8       9.3737      0.00000
      9      11.9735      0.00000
     10      12.8753      0.00000
     11      13.3060      0.00000
     12      14.9091      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3715      2.00000
      2       0.7617      2.00000
      3       1.8003      2.00000
      4       3.2329      2.00000
      5       4.4080      2.00000
      6       5.6374      1.99594
      7       6.5304      0.12202
      8       8.8336      0.00000
      9      12.3937      0.00000
     10      13.3721      0.00000
     11      14.3190      0.00000
     12      14.8358      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1084      2.00000
      2       0.9752      2.00000
      3       1.1677      2.00000
      4       2.8348      2.00000
      5       4.8416      2.00000
      6       5.7051      1.99201
      7       5.9241      1.93088
      8       8.5260      0.00000
      9      12.8363      0.00000
     10      13.5704      0.00000
     11      13.7826      0.00000
     12      15.8095      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0775      2.00000
      2       1.1328      2.00000
      3       1.7960      2.00000
      4       4.9097      2.00000
      5       5.8836      1.95334
      6       7.7984      0.00000
      7       9.1236      0.00000
      8       9.4028      0.00000
      9      10.4757      0.00000
     10      11.3204      0.00000
     11      11.9527      0.00000
     12      12.7260      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0270      2.00000
      2       1.1850      2.00000
      3       1.8334      2.00000
      4       4.8106      2.00000
      5       5.4380      1.99945
      6       8.4084      0.00000
      7       8.4196      0.00000
      8       8.9711      0.00000
      9      11.1906      0.00000
     10      11.8087      0.00000
     11      12.0743      0.00000
     12      12.1146      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8761      2.00000
      2       1.3414      2.00000
      3       1.9399      2.00000
      4       4.1227      2.00000
      5       5.2375      1.99993
      6       7.3415      0.00004
      7       8.0499      0.00000
      8       9.7415      0.00000
      9      11.2777      0.00000
     10      11.8799      0.00000
     11      12.5388      0.00000
     12      12.7963      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6271      2.00000
      2       1.6011      2.00000
      3       2.0796      2.00000
      4       3.2308      2.00000
      5       5.3090      1.99985
      6       6.3096      0.74317
      7       7.2580      0.00009
      8      10.3505      0.00000
      9      11.2352      0.00000
     10      12.2053      0.00000
     11      13.0052      0.00000
     12      13.9560      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2858      2.00000
      2       1.9623      2.00000
      3       1.9673      2.00000
      4       2.6942      2.00000
      5       5.3550      1.99976
      6       5.3582      1.99975
      7       6.6494      0.03877
      8       9.6522      0.00000
      9      12.5576      0.00000
     10      12.5681      0.00000
     11      13.4996      0.00000
     12      14.7073      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8701      2.00000
      2       1.3258      2.00000
      3       2.4191      2.00000
      4       2.8116      2.00000
      5       4.5045      2.00000
      6       5.2012      1.99995
      7       6.4029      0.37753
      8       9.0752      0.00000
      9      12.9818      0.00000
     10      13.3050      0.00000
     11      14.6476      0.00000
     12      14.6705      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4653      2.00000
      2       0.7544      2.00000
      3       2.9340      2.00000
      4       2.9900      2.00000
      5       3.7904      2.00000
      6       4.9689      1.99999
      7       6.4140      0.34472
      8       8.7360      0.00000
      9      13.4512      0.00000
     10      13.5691      0.00000
     11      14.1534      0.00000
     12      15.4847      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6715      2.00000
      2       0.5778      2.00000
      3       1.9118      2.00000
      4       4.2043      2.00000
      5       6.2985      0.79566
      6       8.1197      0.00000
      7       8.4373      0.00000
      8       9.6725      0.00000
      9      10.1379      0.00000
     10      11.5183      0.00000
     11      11.9917      0.00000
     12      12.4921      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6205      2.00000
      2       0.6264      2.00000
      3       1.9563      2.00000
      4       4.2118      2.00000
      5       5.7068      1.99188
      6       7.8235      0.00000
      7       8.8129      0.00000
      8       9.1051      0.00000
      9      10.8251      0.00000
     10      11.4655      0.00000
     11      12.1878      0.00000
     12      12.6098      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4679      2.00000
      2       0.7710      2.00000
      3       2.0875      2.00000
      4       4.1377      2.00000
      5       4.8479      2.00000
      6       6.8556      0.00502
      7       8.1247      0.00000
      8      10.0479      0.00000
      9      10.6856      0.00000
     10      12.0041      0.00000
     11      12.8451      0.00000
     12      13.3185      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2158      2.00000
      2       1.0069      2.00000
      3       2.2931      2.00000
      4       3.5110      2.00000
      5       4.5833      2.00000
      6       5.9209      1.93300
      7       7.2094      0.00015
      8       9.7528      0.00000
      9      11.6220      0.00000
     10      12.7676      0.00000
     11      13.6264      0.00000
     12      14.2347      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8692      2.00000
      2       1.3184      2.00000
      3       2.4236      2.00000
      4       2.8150      2.00000
      5       4.5016      2.00000
      6       5.2004      1.99995
      7       6.4061      0.36782
      8       9.0751      0.00000
      9      12.9909      0.00000
     10      13.3051      0.00000
     11      14.6472      0.00000
     12      14.6673      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4433      2.00000
      2       1.5481      2.00000
      3       1.9402      2.00000
      4       2.9847      2.00000
      5       4.0296      2.00000
      6       4.9516      2.00000
      7       5.8227      1.97435
      8       8.5488      0.00000
      9      13.5318      0.00000
     10      14.5106      0.00000
     11      15.1253      0.00000
     12      15.2162      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0161      2.00000
      2       1.1013      2.00000
      3       2.1334      2.00000
      4       3.2165      2.00000
      5       3.5686      2.00000
      6       4.7757      2.00000
      7       5.6007      1.99718
      8       8.2526      0.00000
      9      13.9320      0.00000
     10      14.7571      0.00000
     11      15.1611      0.00000
     12      15.7448      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2882      2.00000
      2       0.0315      2.00000
      3       2.1882      2.00000
      4       3.7171      2.00000
      5       6.7219      0.01897
      6       7.8126      0.00000
      7       8.4113      0.00000
      8       9.7726      0.00000
      9      10.0350      0.00000
     10      11.4207      0.00000
     11      11.6736      0.00000
     12      12.7841      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2359      2.00000
      2       0.0780      2.00000
      3       2.2383      2.00000
      4       3.7347      2.00000
      5       6.0603      1.75480
      6       7.2833      0.00007
      7       9.1478      0.00000
      8       9.3946      0.00000
      9      10.3133      0.00000
     10      11.0879      0.00000
     11      12.4080      0.00000
     12      12.8534      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0796      2.00000
      2       0.2164      2.00000
      3       2.3879      2.00000
      4       3.7736      2.00000
      5       5.0182      1.99999
      6       6.3891      0.42153
      7       8.3439      0.00000
      8      10.0626      0.00000
      9      10.5476      0.00000
     10      11.6840      0.00000
     11      13.0034      0.00000
     12      13.6718      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8205      2.00000
      2       0.4422      2.00000
      3       2.6337      2.00000
      4       3.7139      2.00000
      5       4.0866      2.00000
      6       5.5517      1.99827
      7       7.3417      0.00004
      8       9.3739      0.00000
      9      11.9848      0.00000
     10      12.8782      0.00000
     11      13.2990      0.00000
     12      14.9027      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4617      2.00000
      2       0.7441      2.00000
      3       2.9388      2.00000
      4       2.9981      2.00000
      5       3.7834      2.00000
      6       4.9663      2.00000
      7       6.4189      0.33083
      8       8.7356      0.00000
      9      13.4636      0.00000
     10      13.5743      0.00000
     11      14.1473      0.00000
     12      15.4893      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0131      2.00000
      2       1.0903      2.00000
      3       2.1434      2.00000
      4       3.2179      2.00000
      5       3.5653      2.00000
      6       4.7721      2.00000
      7       5.6047      1.99707
      8       8.2524      0.00000
      9      13.9343      0.00000
     10      14.7578      0.00000
     11      15.1574      0.00000
     12      15.7629      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4672      2.00000
      2       1.3380      2.00000
      3       1.5142      2.00000
      4       2.9365      2.00000
      5       3.9006      2.00000
      6       4.7484      2.00000
      7       4.9907      1.99999
      8       7.9867      0.00000
      9      14.3746      0.00000
     10      15.0518      0.00000
     11      15.2665      0.00000
     12      16.4012      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2504      2.00000
      2       0.7127      2.00000
      3       1.2926      2.00000
      4       3.5161      2.00000
      5       6.7133      0.02066
      6       8.4927      0.00000
      7       8.7308      0.00000
      8       8.9648      0.00000
      9      10.1906      0.00000
     10      11.0371      0.00000
     11      11.1954      0.00000
     12      13.5255      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1991      2.00000
      2       0.7650      2.00000
      3       1.3368      2.00000
      4       3.5371      2.00000
      5       6.0900      1.68338
      6       8.0183      0.00000
      7       8.4356      0.00000
      8       9.2261      0.00000
      9      10.6961      0.00000
     10      10.9820      0.00000
     11      11.7609      0.00000
     12      13.9199      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0457      2.00000
      2       0.9219      2.00000
      3       1.4673      2.00000
      4       3.5876      2.00000
      5       5.0925      1.99998
      6       6.9461      0.00203
      7       7.5433      0.00001
      8       9.8523      0.00000
      9      10.6324      0.00000
     10      12.2812      0.00000
     11      12.9117      0.00000
     12      14.0697      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7920      2.00000
      2       1.1824      2.00000
      3       1.6762      2.00000
      4       3.5572      2.00000
      5       4.2348      2.00000
      6       5.9092      1.94013
      7       6.6385      0.04314
      8       9.1752      0.00000
      9      12.0264      0.00000
     10      13.6337      0.00000
     11      14.2066      0.00000
     12      14.3489      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4422      2.00000
      2       1.5445      2.00000
      3       1.9366      2.00000
      4       2.9914      2.00000
      5       4.0268      2.00000
      6       4.9540      2.00000
      7       5.8235      1.97415
      8       8.5487      0.00000
      9      13.5441      0.00000
     10      14.5066      0.00000
     11      15.1274      0.00000
     12      15.2142      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0101      2.00000
      2       2.0024      2.00000
      3       2.0081      2.00000
      4       2.4570      2.00000
      5       4.0935      2.00000
      6       4.0975      2.00000
      7       5.1667      1.99996
      8       8.0781      0.00000
      9      14.9531      0.00000
     10      14.9653      0.00000
     11      15.8043      0.00000
     12      15.9459      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4328      2.00000
      2       1.4929      2.00000
      3       2.5173      2.00000
      4       2.5874      2.00000
      5       3.3826      2.00000
      6       4.1214      2.00000
      7       4.7870      2.00000
      8       7.8214      0.00000
      9      15.3901      0.00000
     10      15.6033      0.00000
     11      15.9989      0.00000
     12      16.8410      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8364      2.00000
      2       0.3233      2.00000
      3       1.3400      2.00000
      4       3.0658      2.00000
      5       7.1387      0.00030
      6       8.2058      0.00000
      7       8.8427      0.00000
      8       9.2302      0.00000
      9       9.9534      0.00000
     10      10.6182      0.00000
     11      10.9025      0.00000
     12      13.4478      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7843      2.00000
      2       0.3727      2.00000
      3       1.3906      2.00000
      4       3.0874      2.00000
      5       6.4806      0.19323
      6       7.6043      0.00000
      7       8.5606      0.00000
      8       9.5912      0.00000
      9      10.1467      0.00000
     10      10.7981      0.00000
     11      11.6537      0.00000
     12      13.8644      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6284      2.00000
      2       0.5200      2.00000
      3       1.5419      2.00000
      4       3.1479      2.00000
      5       5.4345      1.99946
      6       6.6130      0.05536
      7       7.5352      0.00001
      8       9.4983      0.00000
      9      10.9462      0.00000
     10      12.0020      0.00000
     11      12.9307      0.00000
     12      14.5531      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3699      2.00000
      2       0.7620      2.00000
      3       1.7917      2.00000
      4       3.2292      2.00000
      5       4.4177      2.00000
      6       5.6416      1.99576
      7       6.5288      0.12392
      8       8.8338      0.00000
      9      12.4067      0.00000
     10      13.3802      0.00000
     11      14.3333      0.00000
     12      14.8084      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0118      2.00000
      2       1.0906      2.00000
      3       2.1344      2.00000
      4       3.2191      2.00000
      5       3.5706      2.00000
      6       4.7751      2.00000
      7       5.6035      1.99710
      8       8.2524      0.00000
      9      13.9479      0.00000
     10      14.7638      0.00000
     11      15.1529      0.00000
     12      15.7551      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4363      2.00000
      2       1.4811      2.00000
      3       2.5227      2.00000
      4       2.5950      2.00000
      5       3.3757      2.00000
      6       4.1223      2.00000
      7       4.7887      2.00000
      8       7.8214      0.00000
      9      15.4058      0.00000
     10      15.6028      0.00000
     11      15.9924      0.00000
     12      16.8519      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9184      2.00000
      2       1.7969      2.00000
      3       1.9383      2.00000
      4       2.9358      2.00000
      5       3.1587      2.00000
      6       3.8902      2.00000
      7       4.1648      2.00000
      8       7.5895      0.00000
      9      15.9241      0.00000
     10      16.4620      0.00000
     11      16.7040      0.00000
     12      16.8323      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3516      2.00000
      2       0.5017      2.00000
      3       0.7030      2.00000
      4       2.6597      2.00000
      5       7.5763      0.00000
      6       8.5345      0.00000
      7       8.6125      0.00000
      8       9.3276      0.00000
      9      10.0141      0.00000
     10      10.0534      0.00000
     11      10.2900      0.00000
     12      13.3431      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.2995      2.00000
      2       0.5542      2.00000
      3       0.7540      2.00000
      4       2.6805      2.00000
      5       6.9253      0.00250
      6       7.8215      0.00000
      7       7.9673      0.00000
      8       9.7180      0.00000
      9      10.0934      0.00000
     10      10.8114      0.00000
     11      11.0608      0.00000
     12      13.7255      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1437      2.00000
      2       0.7112      2.00000
      3       0.9065      2.00000
      4       2.7404      2.00000
      5       5.8809      1.95458
      6       6.7470      0.01480
      7       6.9333      0.00231
      8       9.1458      0.00000
      9      11.3920      0.00000
     10      12.1357      0.00000
     11      12.3545      0.00000
     12      14.6414      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1147      2.00000
      2       0.9721      2.00000
      3       1.1585      2.00000
      4       2.8303      2.00000
      5       4.8564      2.00000
      6       5.7079      1.99179
      7       5.9195      1.93388
      8       8.5260      0.00000
      9      12.8542      0.00000
     10      13.5780      0.00000
     11      13.7836      0.00000
     12      15.8159      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4732      2.00000
      2       1.3347      2.00000
      3       1.5048      2.00000
      4       2.9322      2.00000
      5       3.9146      2.00000
      6       4.7509      2.00000
      7       4.9865      1.99999
      8       7.9867      0.00000
      9      14.3941      0.00000
     10      15.0604      0.00000
     11      15.2685      0.00000
     12      16.3850      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9232      2.00000
      2       1.7930      2.00000
      3       1.9281      2.00000
      4       2.9421      2.00000
      5       3.1626      2.00000
      6       3.8932      2.00000
      7       4.1613      2.00000
      8       7.5895      0.00000
      9      15.9447      0.00000
     10      16.4720      0.00000
     11      16.7263      0.00000
     12      16.7906      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4132      2.00000
      2       2.3076      2.00000
      3       2.3141      2.00000
      4       2.3772      2.00000
      5       3.1691      2.00000
      6       3.1782      2.00000
      7       3.5055      2.00000
      8       7.3776      0.00003
      9      17.2310      0.00000
     10      17.2605      0.00000
     11      17.4623      0.00000
     12      17.9520      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.263  -0.000   0.000  -0.000
  5.263  22.370  -0.000   0.000  -0.000
 -0.000  -0.000  -0.285   0.000   0.000
  0.000   0.000   0.000  -0.285  -0.000
 -0.000  -0.000   0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.074  -0.022   0.000   0.000   0.001
 -0.022   0.000  -0.000   0.000   0.000
  0.000  -0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.001   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1084: real time    0.1084
    FORLOC:  cpu time    0.0014: real time    0.0014
    FORNL :  cpu time    0.1990: real time    0.1990
    STRESS:  cpu time    2.3744: real time    2.3745
    FORCOR:  cpu time    0.0447: real time    0.0447
    FORHAR:  cpu time    0.0126: real time    0.0126
    MIXING:  cpu time    0.0050: real time    0.0050
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.43186   -72.29464   -72.29464    -0.00000    -0.00000    -0.00000
  Hartree     1.11479     1.15111     1.15111    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42395   -27.42528   -27.42528    -0.00000    -0.00000     0.00000
  Local      -3.89137    -4.08323    -4.08323     0.00000    -0.00000     0.00000
  n-local    58.91298    58.01882    59.84263     0.09997     0.25638     0.41345
  augment    -3.03428    -3.03535    -3.03535    -0.00000    -0.00000     0.00000
  Kinetic    46.90572    48.34823    45.42911    -1.28974    -3.60765    -5.94684
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03879     0.01877     0.01877     0.00000     0.00000    -0.00000
  in kB       0.95204     0.46065     0.46065     0.00000     0.00000    -0.00000
  external pressure =        0.62 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.137E+00 0.236E-14 0.263E-14   0.148E+00 -.284E-15 -.261E-15   -.179E-01 0.112E-19 -.640E-20   -.232E-04 0.488E-10 -.872E-06
   0.104E+01 -.270E-13 0.231E-13   -.845E+00 0.143E-14 -.142E-14   -.307E+00 -.108E-18 -.926E-19   0.133E-03 -.390E-09 -.633E-05
   0.104E+01 0.167E-15 -.920E-13   -.845E+00 -.149E-14 0.855E-15   -.307E+00 0.112E-18 0.126E-18   0.133E-03 0.391E-09 0.676E-05
   -.196E+01 0.335E-14 -.619E-07   0.154E+01 0.280E-15 0.652E-15   0.648E+00 0.445E-18 -.415E-18   -.266E-03 -.363E-09 0.676E-05
 -----------------------------------------------------------------------------------------------
   -.157E-01 -.211E-13 -.619E-07   0.000E+00 -.673E-16 -.175E-15   0.156E-01 0.461E-18 -.388E-18   -.225E-04 -.312E-09 0.632E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.006513      0.000000     -0.000000
      2.01274      2.01342      0.00000        -0.112941      0.000000      0.000000
      2.01274      0.00000      2.01342        -0.112941     -0.000000     -0.000000
     -0.05000      2.01342      2.01342         0.232396      0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000038     -0.000000      0.000006


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54789620 eV

  energy  without entropy=      -13.50785910  energy(sigma->0) =      -13.52787765
 
 d Force =-0.7385014E-05[-0.232E-01, 0.232E-01]  d Energy = 0.7908933E-06-0.818E-05
 d Force = 0.2775558E-16[-0.154E+00, 0.154E+00]  d Ewald  =-0.2842171E-13 0.284E-13


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0577: real time    0.0578


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:  12/ 13
  Displacement:        2/  2
  Total:              24/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.461538  0.000000 -0.153846      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.153846  0.000000 -0.307692      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.230769  0.000000 -0.307692      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.307692  0.000000 -0.307692      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.384615  0.000000 -0.307692      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.384615  0.000000 -0.384615      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.153846  0.000000 -0.461538      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.230769  0.000000 -0.461538      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.307692  0.000000 -0.461538      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.384615  0.000000 -0.461538      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.000000  0.076923 -0.153846      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.076923  0.076923 -0.153846      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.153846  0.076923 -0.153846      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.230769  0.076923 -0.153846      8.000000
  0.307692  0.153846  0.076923      8.000000
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  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.3972: real time    0.4173
    FEWALD:  cpu time    0.0032: real time    0.0032
    GENKIN:  cpu time    0.0695: real time    0.0695
    ORTHCH:  cpu time    2.2356: real time    2.2358
     LOOP+:  cpu time   73.9923: real time   74.0484


--------------------------------------- Iteration     26(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0486: real time    0.0493
    SETDIJ:  cpu time    0.0040: real time    0.0040
     EDDAV:  cpu time   21.9937: real time   22.0059
       DOS:  cpu time    0.0138: real time    0.0138
    CHARGE:  cpu time    0.1751: real time    0.1751
    MIXING:  cpu time    0.0032: real time    0.0032
    --------------------------------------------
      LOOP:  cpu time   22.2385: real time   22.2514

 eigenvalue-minimisations  :  8236
 total energy-change (2. order) :-0.1103062E-02  (-0.5720243E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060313 magnetization 

 Broyden mixing:
  rms(total) = 0.15367E-01    rms(broyden)= 0.15366E-01
  rms(prec ) = 0.45277E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40025016
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80150507
  PAW double counting   =       428.98952288     -327.64269008
  entropy T*S    EENTRO =        -0.04003926
  eigenvalues    EBANDS =        22.58626430
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54899340 eV

  energy without entropy =      -13.50895414  energy(sigma->0) =      -13.52897377


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0500: real time    0.0504
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   25.0344: real time   25.0451
       DOS:  cpu time    0.0129: real time    0.0128
    CHARGE:  cpu time    0.1697: real time    0.1697
    MIXING:  cpu time    0.0031: real time    0.0031
    --------------------------------------------
      LOOP:  cpu time   25.2734: real time   25.2845

 eigenvalue-minimisations  : 10480
 total energy-change (2. order) :-0.4038996E-03  (-0.1672722E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060405 magnetization 

 Broyden mixing:
  rms(total) = 0.85531E-02    rms(broyden)= 0.85530E-02
  rms(prec ) = 0.23871E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0195
  1.0195

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40025964
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80160792
  PAW double counting   =       429.31256770     -327.96563477
  entropy T*S    EENTRO =        -0.04004379
  eigenvalues    EBANDS =        22.58587714
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54939730 eV

  energy without entropy =      -13.50935350  energy(sigma->0) =      -13.52937540


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0484: real time    0.0487
    SETDIJ:  cpu time    0.0031: real time    0.0031
     EDDAV:  cpu time   23.4328: real time   23.4415
       DOS:  cpu time    0.0160: real time    0.0160
    CHARGE:  cpu time    0.1729: real time    0.1730
    MIXING:  cpu time    0.0042: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time   23.6775: real time   23.6866

 eigenvalue-minimisations  :  9524
 total energy-change (2. order) : 0.5132943E-03  (-0.1411704E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060362 magnetization 

 Broyden mixing:
  rms(total) = 0.34166E-02    rms(broyden)= 0.34166E-02
  rms(prec ) = 0.86883E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6816
  1.0860  2.2771

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40091234
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80164605
  PAW double counting   =       428.61722348     -327.27025297
  entropy T*S    EENTRO =        -0.04004826
  eigenvalues    EBANDS =        22.58704816
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54888400 eV

  energy without entropy =      -13.50883574  energy(sigma->0) =      -13.52885987


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0515: real time    0.0518
    SETDIJ:  cpu time    0.0038: real time    0.0038
     EDDAV:  cpu time   25.1998: real time   25.2120
       DOS:  cpu time    0.0132: real time    0.0132
    CHARGE:  cpu time    0.1730: real time    0.1730
    MIXING:  cpu time    0.0063: real time    0.0063
    --------------------------------------------
      LOOP:  cpu time   25.4477: real time   25.4602

 eigenvalue-minimisations  : 10256
 total energy-change (2. order) : 0.9455395E-04  (-0.2515660E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060267 magnetization 

 Broyden mixing:
  rms(total) = 0.15140E-02    rms(broyden)= 0.15140E-02
  rms(prec ) = 0.43073E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7783
  1.0249  1.6170  2.6931

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40091812
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80166875
  PAW double counting   =       428.50282597     -327.15583113
  entropy T*S    EENTRO =        -0.04004852
  eigenvalues    EBANDS =        22.58714711
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54878945 eV

  energy without entropy =      -13.50874093  energy(sigma->0) =      -13.52876519


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0505: real time    0.0509
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   23.6790: real time   23.6881
       DOS:  cpu time    0.0147: real time    0.0147
    CHARGE:  cpu time    0.1737: real time    0.1737
    MIXING:  cpu time    0.0057: real time    0.0057
    --------------------------------------------
      LOOP:  cpu time   23.9269: real time   23.9363

 eigenvalue-minimisations  :  9528
 total energy-change (2. order) : 0.4285016E-04  (-0.1357765E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060247 magnetization 

 Broyden mixing:
  rms(total) = 0.38142E-03    rms(broyden)= 0.38142E-03
  rms(prec ) = 0.87740E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6765
  2.8313  0.9727  1.5448  1.3571

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40096717
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167594
  PAW double counting   =       428.65546421     -327.30845566
  entropy T*S    EENTRO =        -0.04004853
  eigenvalues    EBANDS =        22.58723250
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54874660 eV

  energy without entropy =      -13.50869807  energy(sigma->0) =      -13.52872233


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0501: real time    0.0505
    SETDIJ:  cpu time    0.0039: real time    0.0039
     EDDAV:  cpu time   25.3511: real time   25.3634
       DOS:  cpu time    0.0176: real time    0.0176
    --------------------------------------------
      LOOP:  cpu time   25.4228: real time   25.4353

 eigenvalue-minimisations  : 10416
 total energy-change (2. order) :-0.2838034E-06  (-0.1412694E-05)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060247 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40097736
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167227
  PAW double counting   =       428.72977653     -327.38276913
  entropy T*S    EENTRO =        -0.04004851
  eigenvalues    EBANDS =        22.58723985
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54874688 eV

  energy without entropy =      -13.50869837  energy(sigma->0) =      -13.52872263


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2475       2 -74.2406       3 -74.2386       4 -74.2390
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5664     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6247      2.00000
      2       4.3274      2.00000
      3       4.3277      2.00000
      4       4.3319      2.00000
      5       5.5468      1.99836
      6       5.5558      1.99820
      7       7.5998      0.00000
      8      12.4883      0.00000
      9      12.5069      0.00000
     10      12.5174      0.00000
     11      12.8105      0.00000
     12      12.8329      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6437      2.00000
      3       4.3768      2.00000
      4       4.3777      2.00000
      5       5.5998      1.99721
      6       6.1587      1.45565
      7       7.8005      0.00000
      8      11.5750      0.00000
      9      11.5752      0.00000
     10      12.1721      0.00000
     11      12.8575      0.00000
     12      12.9853      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4282      2.00000
      2       2.6150      2.00000
      3       4.5236      2.00000
      4       4.5245      2.00000
      5       5.7582      1.98646
      6       6.7608      0.01289
      7       8.5735      0.00000
      8      10.4576      0.00000
      9      10.4597      0.00000
     10      11.4066      0.00000
     11      12.8066      0.00000
     12      13.0011      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1864      2.00000
      2       1.6214      2.00000
      3       4.7670      2.00000
      4       4.7677      2.00000
      5       6.0210      1.82754
      6       7.0443      0.00076
      7       9.4209      0.00000
      8       9.4239      0.00000
      9       9.8448      0.00000
     10      10.5257      0.00000
     11      12.3260      0.00000
     12      13.2344      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8582      2.00000
      2       0.7170      2.00000
      3       5.1033      1.99998
      4       5.1038      1.99998
      5       6.3864      0.43058
      6       7.2187      0.00013
      7       8.4857      0.00000
      8       8.4899      0.00000
      9       9.6525      0.00000
     10      11.2339      0.00000
     11      12.0100      0.00000
     12      13.5430      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4684      2.00000
      2      -0.0607      2.00000
      3       5.5201      1.99874
      4       5.5201      1.99874
      5       6.8502      0.00530
      6       7.3426      0.00004
      7       7.6685      0.00000
      8       7.6770      0.00000
      9       8.8348      0.00000
     10      11.4212      0.00000
     11      13.1381      0.00000
     12      13.8887      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1170      2.00000
      2      -0.6069      2.00000
      3       5.9449      1.91555
      4       5.9461      1.91454
      5       7.0368      0.00082
      6       7.0419      0.00078
      7       7.4126      0.00002
      8       7.4198      0.00002
      9       8.1015      0.00000
     10      11.2677      0.00000
     11      14.1624      0.00000
     12      14.5236      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6402      2.00000
      3       4.3767      2.00000
      4       4.3809      2.00000
      5       5.6046      1.99707
      6       6.1558      1.46706
      7       7.7985      0.00000
      8      11.5717      0.00000
      9      11.5730      0.00000
     10      12.1744      0.00000
     11      12.8610      0.00000
     12      12.9909      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5639      2.00000
      3       3.8395      2.00000
      4       4.4258      2.00000
      5       5.9317      1.92562
      6       6.5079      0.15058
      7       7.9519      0.00000
      8      10.8393      0.00000
      9      11.4719      0.00000
     10      11.8599      0.00000
     11      12.3600      0.00000
     12      12.8467      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6475      2.00000
      3       3.8806      2.00000
      4       4.5726      2.00000
      5       6.1429      1.51580
      6       7.1334      0.00031
      7       8.6220      0.00000
      8       9.8314      0.00000
      9      10.4983      0.00000
     10      11.7942      0.00000
     11      11.8392      0.00000
     12      12.8693      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1367      2.00000
      2       1.6626      2.00000
      3       4.1151      2.00000
      4       4.8159      2.00000
      5       6.3871      0.42831
      6       7.4351      0.00002
      7       8.8263      0.00000
      8       9.4679      0.00000
      9       9.9055      0.00000
     10      10.9718      0.00000
     11      12.0638      0.00000
     12      12.5011      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8081      2.00000
      2       0.7605      2.00000
      3       4.4443      2.00000
      4       5.1522      1.99997
      5       6.6757      0.02995
      6       7.5824      0.00000
      7       8.0392      0.00000
      8       8.5339      0.00000
      9      10.1185      0.00000
     10      11.3461      0.00000
     11      12.1123      0.00000
     12      12.3815      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4175      2.00000
      2      -0.0168      2.00000
      3       4.8489      2.00000
      4       5.5688      1.99795
      5       6.7485      0.01457
      6       7.4472      0.00001
      7       7.7172      0.00000
      8       7.8894      0.00000
      9       9.3432      0.00000
     10      11.6120      0.00000
     11      12.7621      0.00000
     12      13.0918      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0645      2.00000
      2      -0.5642      2.00000
      3       5.2499      1.99992
      4       5.9947      1.86478
      5       6.3349      0.62917
      6       7.0910      0.00048
      7       7.6138      0.00000
      8       8.1175      0.00000
      9       8.6732      0.00000
     10      11.4387      0.00000
     11      13.1073      0.00000
     12      14.1371      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6119      2.00000
      3       4.5234      2.00000
      4       4.5275      2.00000
      5       5.7629      1.98581
      6       6.7616      0.01280
      7       8.5661      0.00000
      8      10.4548      0.00000
      9      10.4583      0.00000
     10      11.4113      0.00000
     11      12.8135      0.00000
     12      13.0044      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6446      2.00000
      3       3.8838      2.00000
      4       4.5724      2.00000
      5       6.1448      1.50897
      6       7.1363      0.00030
      7       8.6153      0.00000
      8       9.8317      0.00000
      9      10.4956      0.00000
     10      11.7952      0.00000
     11      11.8427      0.00000
     12      12.8799      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5821      2.00000
      3       3.0714      2.00000
      4       4.7191      2.00000
      5       6.4075      0.36363
      6       8.0478      0.00000
      7       8.6540      0.00000
      8       9.1593      0.00000
      9      10.4931      0.00000
     10      10.8464      0.00000
     11      11.8451      0.00000
     12      12.6315      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7724      2.00000
      3       3.1262      2.00000
      4       4.9624      2.00000
      5       6.5659      0.08715
      6       7.9148      0.00000
      7       8.5973      0.00000
      8       9.6046      0.00000
      9      10.0323      0.00000
     10      10.9291      0.00000
     11      11.3323      0.00000
     12      12.6338      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6585      2.00000
      2       0.8875      2.00000
      3       3.4294      2.00000
      4       5.2984      1.99986
      5       6.4563      0.24009
      6       7.4666      0.00001
      7       8.6776      0.00000
      8       8.8197      0.00000
      9      10.6511      0.00000
     10      11.2426      0.00000
     11      11.4990      0.00000
     12      12.5211      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2653      2.00000
      2       0.1128      2.00000
      3       3.8140      2.00000
      4       5.7148      1.99121
      5       5.9132      1.93776
      6       7.5782      0.00000
      7       7.8627      0.00000
      8       8.9556      0.00000
      9      10.1177      0.00000
     10      11.6276      0.00000
     11      12.2002      0.00000
     12      12.8479      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9072      2.00000
      2      -0.4379      2.00000
      3       4.1833      2.00000
      4       5.4025      1.99961
      5       6.1400      1.52659
      6       7.2377      0.00011
      7       7.7961      0.00000
      8       8.9609      0.00000
      9       9.8257      0.00000
     10      11.9786      0.00000
     11      11.9829      0.00000
     12      13.3920      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6189      2.00000
      3       4.7664      2.00000
      4       4.7704      2.00000
      5       6.0256      1.82015
      6       7.0465      0.00075
      7       9.4190      0.00000
      8       9.4232      0.00000
      9       9.8265      0.00000
     10      10.5394      0.00000
     11      12.3310      0.00000
     12      13.2374      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6602      2.00000
      3       4.1180      2.00000
      4       4.8154      2.00000
      5       6.3890      0.42178
      6       7.4399      0.00001
      7       8.8247      0.00000
      8       9.4660      0.00000
      9       9.8941      0.00000
     10      10.9778      0.00000
     11      12.0671      0.00000
     12      12.5089      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9887      2.00000
      2       1.7703      2.00000
      3       3.1286      2.00000
      4       4.9621      2.00000
      5       6.5664      0.08676
      6       7.9163      0.00000
      7       8.6009      0.00000
      8       9.6029      0.00000
      9      10.0237      0.00000
     10      10.9314      0.00000
     11      11.3341      0.00000
     12      12.6388      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7612      2.00000
      3       2.3758      2.00000
      4       5.2051      1.99995
      5       6.3578      0.53486
      6       7.4619      0.00001
      7       9.7076      0.00000
      8       9.7395      0.00000
      9      10.0224      0.00000
     10      10.3527      0.00000
     11      11.2947      0.00000
     12      12.4465      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0762      2.00000
      3       2.4677      2.00000
      4       5.5408      1.99845
      5       5.7119      1.99145
      6       7.5414      0.00001
      7       8.9107      0.00000
      8      10.0106      0.00000
      9      10.2087      0.00000
     10      11.0923      0.00000
     11      11.4346      0.00000
     12      12.6283      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2       0.3207      2.00000
      3       2.8125      2.00000
      4       5.0238      1.99999
      5       5.9567      1.90544
      6       7.8087      0.00000
      7       8.1021      0.00000
      8       9.7715      0.00000
      9      10.5923      0.00000
     10      11.1171      0.00000
     11      12.1640      0.00000
     12      12.9232      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6464      2.00000
      2      -0.2337      2.00000
      3       3.1464      2.00000
      4       4.5135      2.00000
      5       6.3811      0.44874
      6       7.4791      0.00001
      7       8.0564      0.00000
      8       9.4684      0.00000
      9      10.9536      0.00000
     10      11.2492      0.00000
     11      12.3608      0.00000
     12      12.4802      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7152      2.00000
      3       5.1023      1.99998
      4       5.1061      1.99998
      5       6.3909      0.41551
      6       7.2212      0.00013
      7       8.4846      0.00000
      8       8.4893      0.00000
      9       9.6510      0.00000
     10      11.2314      0.00000
     11      12.0142      0.00000
     12      13.5458      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       0.7588      2.00000
      3       4.4468      2.00000
      4       5.1512      1.99997
      5       6.6777      0.02936
      6       7.5881      0.00000
      7       8.0377      0.00000
      8       8.5329      0.00000
      9      10.1153      0.00000
     10      11.3435      0.00000
     11      12.1190      0.00000
     12      12.3844      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6591      2.00000
      2       0.8860      2.00000
      3       3.4315      2.00000
      4       5.2976      1.99986
      5       6.4577      0.23700
      6       7.4668      0.00001
      7       8.6768      0.00000
      8       8.8240      0.00000
      9      10.6471      0.00000
     10      11.2445      0.00000
     11      11.4957      0.00000
     12      12.5301      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4125      2.00000
      2       1.0751      2.00000
      3       2.4691      2.00000
      4       5.5404      1.99846
      5       5.7127      1.99139
      6       7.5413      0.00001
      7       8.9102      0.00000
      8      10.0127      0.00000
      9      10.2096      0.00000
     10      11.0954      0.00000
     11      11.4302      0.00000
     12      12.6262      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0757      2.00000
      2       1.1359      2.00000
      3       1.7985      2.00000
      4       4.9126      2.00000
      5       5.8757      1.95681
      6       7.7987      0.00000
      7       9.1179      0.00000
      8       9.3945      0.00000
      9      10.4712      0.00000
     10      11.3180      0.00000
     11      11.9577      0.00000
     12      12.7743      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5806      2.00000
      3       1.9146      2.00000
      4       4.2065      2.00000
      5       6.2911      0.83150
      6       8.1241      0.00000
      7       8.4261      0.00000
      8       9.6654      0.00000
      9      10.1334      0.00000
     10      11.5154      0.00000
     11      11.9898      0.00000
     12      12.4926      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2853      2.00000
      2       0.0335      2.00000
      3       2.1918      2.00000
      4       3.7184      2.00000
      5       6.7151      0.02028
      6       7.8079      0.00000
      7       8.4091      0.00000
      8       9.7682      0.00000
      9      10.0272      0.00000
     10      11.4206      0.00000
     11      11.6691      0.00000
     12      12.7859      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4698      2.00000
      2      -0.0617      2.00000
      3       5.5182      1.99876
      4       5.5216      1.99872
      5       6.8555      0.00502
      6       7.3470      0.00004
      7       7.6686      0.00000
      8       7.6738      0.00000
      9       8.8368      0.00000
     10      11.4260      0.00000
     11      13.1321      0.00000
     12      13.8917      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8507      2.00000
      4       5.5670      1.99799
      5       6.7525      0.01401
      6       7.4475      0.00001
      7       7.7174      0.00000
      8       7.8909      0.00000
      9       9.3448      0.00000
     10      11.6180      0.00000
     11      12.7642      0.00000
     12      13.0864      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2664      2.00000
      2       0.1120      2.00000
      3       3.8155      2.00000
      4       5.7131      1.99135
      5       5.9158      1.93618
      6       7.5778      0.00000
      7       7.8630      0.00000
      8       8.9572      0.00000
      9      10.1203      0.00000
     10      11.6288      0.00000
     11      12.2099      0.00000
     12      12.8428      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2       0.3202      2.00000
      3       2.8134      2.00000
      4       5.0255      1.99999
      5       5.9553      1.90668
      6       7.8084      0.00000
      7       8.1027      0.00000
      8       9.7699      0.00000
      9      10.5925      0.00000
     10      11.1245      0.00000
     11      12.1662      0.00000
     12      12.9255      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6698      2.00000
      2       0.5805      2.00000
      3       1.9149      2.00000
      4       4.2074      2.00000
      5       6.2902      0.83579
      6       8.1240      0.00000
      7       8.4273      0.00000
      8       9.6646      0.00000
      9      10.1316      0.00000
     10      11.5177      0.00000
     11      11.9910      0.00000
     12      12.5008      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2484      2.00000
      2       0.7156      2.00000
      3       1.2954      2.00000
      4       3.5184      2.00000
      5       6.7055      0.02231
      6       8.5001      0.00000
      7       8.7247      0.00000
      8       8.9489      0.00000
      9      10.1847      0.00000
     10      11.0397      0.00000
     11      11.1899      0.00000
     12      13.5125      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8337      2.00000
      2       0.3254      2.00000
      3       1.3438      2.00000
      4       3.0672      2.00000
      5       7.1319      0.00032
      6       8.2001      0.00000
      7       8.8470      0.00000
      8       9.2157      0.00000
      9       9.9484      0.00000
     10      10.6188      0.00000
     11      10.8986      0.00000
     12      13.4342      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1192      2.00000
      2      -0.6070      2.00000
      3       5.9423      1.91760
      4       5.9447      1.91569
      5       7.0441      0.00076
      6       7.0504      0.00072
      7       7.4048      0.00002
      8       7.4197      0.00002
      9       8.1064      0.00000
     10      11.2735      0.00000
     11      14.1663      0.00000
     12      14.5225      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5643      2.00000
      3       5.2502      1.99992
      4       5.9909      1.86943
      5       6.3405      0.60559
      6       7.0933      0.00047
      7       7.6127      0.00000
      8       8.1165      0.00000
      9       8.6794      0.00000
     10      11.4457      0.00000
     11      13.1082      0.00000
     12      14.1371      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9092      2.00000
      2      -0.4377      2.00000
      3       4.1836      2.00000
      4       5.4064      1.99960
      5       6.1364      1.53941
      6       7.2401      0.00011
      7       7.7955      0.00000
      8       8.9586      0.00000
      9       9.8328      0.00000
     10      11.9827      0.00000
     11      11.9887      0.00000
     12      13.3926      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6482      2.00000
      2      -0.2333      2.00000
      3       3.1464      2.00000
      4       4.5162      2.00000
      5       6.3778      0.46025
      6       7.4818      0.00001
      7       8.0560      0.00000
      8       9.4660      0.00000
      9      10.9524      0.00000
     10      11.2565      0.00000
     11      12.3646      0.00000
     12      12.4838      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2868      2.00000
      2       0.0344      2.00000
      3       2.1914      2.00000
      4       3.7202      2.00000
      5       6.7124      0.02085
      6       7.8110      0.00000
      7       8.4089      0.00000
      8       9.7661      0.00000
      9      10.0250      0.00000
     10      11.4234      0.00000
     11      11.6706      0.00000
     12      12.7942      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8347      2.00000
      2       0.3268      2.00000
      3       1.3428      2.00000
      4       3.0680      2.00000
      5       7.1299      0.00032
      6       8.2041      0.00000
      7       8.8470      0.00000
      8       9.2124      0.00000
      9       9.9469      0.00000
     10      10.6203      0.00000
     11      10.8997      0.00000
     12      13.4375      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3496      2.00000
      2       0.5046      2.00000
      3       0.7065      2.00000
      4       2.6610      2.00000
      5       7.5689      0.00000
      6       8.5280      0.00000
      7       8.6113      0.00000
      8       9.3174      0.00000
      9      10.0081      0.00000
     10      10.0557      0.00000
     11      10.2879      0.00000
     12      13.3312      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5261      2.00000
      2       3.5602      2.00000
      3       3.8395      2.00000
      4       4.4299      2.00000
      5       5.9372      1.92156
      6       6.5025      0.15822
      7       7.9509      0.00000
      8      10.8364      0.00000
      9      11.4681      0.00000
     10      11.8670      0.00000
     11      12.3621      0.00000
     12      12.8535      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4767      2.00000
      2       3.5937      2.00000
      3       3.6349      2.00000
      4       4.0642      2.00000
      5       6.5331      0.11897
      6       6.5779      0.07770
      7       8.0762      0.00000
      8      10.7237      0.00000
      9      10.7725      0.00000
     10      11.3226      0.00000
     11      12.6517      0.00000
     12      13.3129      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3293      2.00000
      2       2.6832      2.00000
      3       3.7642      2.00000
      4       4.1236      2.00000
      5       6.7008      0.02337
      6       7.3006      0.00006
      7       8.6662      0.00000
      8       9.6995      0.00000
      9      10.0566      0.00000
     10      11.1899      0.00000
     11      12.2590      0.00000
     12      13.2285      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0870      2.00000
      2       1.7045      2.00000
      3       4.0162      2.00000
      4       4.3371      2.00000
      5       6.9430      0.00210
      6       7.5951      0.00000
      7       8.6983      0.00000
      8       9.0965      0.00000
      9       9.9743      0.00000
     10      11.3717      0.00000
     11      11.4268      0.00000
     12      12.7738      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7580      2.00000
      2       0.8044      2.00000
      3       4.3663      2.00000
      4       4.6350      2.00000
      5       7.2118      0.00014
      6       7.6046      0.00000
      7       7.8493      0.00000
      8       8.4806      0.00000
      9      10.5647      0.00000
     10      11.3382      0.00000
     11      11.6477      0.00000
     12      12.4215      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3665      2.00000
      2       0.0272      2.00000
      3       4.8069      2.00000
      4       4.9863      1.99999
      5       6.8196      0.00719
      6       7.2144      0.00014
      7       7.8639      0.00000
      8       8.3014      0.00000
      9       9.7560      0.00000
     10      11.6854      0.00000
     11      12.0883      0.00000
     12      13.2374      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0120      2.00000
      2      -0.5214      2.00000
      3       5.2728      1.99989
      4       5.3134      1.99984
      5       6.1673      1.42100
      6       6.7911      0.00954
      7       8.3174      0.00000
      8       8.3829      0.00000
      9       9.0273      0.00000
     10      11.5626      0.00000
     11      12.3682      0.00000
     12      13.8857      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3790      2.00000
      2       2.6443      2.00000
      3       3.8805      2.00000
      4       4.5765      2.00000
      5       6.1485      1.49497
      6       7.1321      0.00032
      7       8.6146      0.00000
      8       9.8288      0.00000
      9      10.4986      0.00000
     10      11.7988      0.00000
     11      11.8438      0.00000
     12      12.8804      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6802      2.00000
      3       3.7672      2.00000
      4       4.1237      2.00000
      5       6.7059      0.02222
      6       7.3000      0.00006
      7       8.6593      0.00000
      8       9.7011      0.00000
      9      10.0537      0.00000
     10      11.1924      0.00000
     11      12.2628      0.00000
     12      13.2359      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6334      2.00000
      3       3.0700      2.00000
      4       4.1443      2.00000
      5       7.0868      0.00050
      6       8.0889      0.00000
      7       8.7027      0.00000
      8       9.0989      0.00000
      9       9.8202      0.00000
     10      10.4907      0.00000
     11      12.4848      0.00000
     12      13.1057      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8172      2.00000
      3       3.1484      2.00000
      4       4.3604      2.00000
      5       7.1855      0.00019
      6       8.0207      0.00000
      7       8.5016      0.00000
      8       9.1909      0.00000
      9       9.9018      0.00000
     10      10.6049      0.00000
     11      11.9353      0.00000
     12      13.1273      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6084      2.00000
      2       0.9324      2.00000
      3       3.4601      2.00000
      4       4.6642      2.00000
      5       6.7376      0.01623
      6       7.8611      0.00000
      7       8.0778      0.00000
      8       9.1130      0.00000
      9      10.5287      0.00000
     10      11.1516      0.00000
     11      11.7020      0.00000
     12      12.8190      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2143      2.00000
      2       0.1576      2.00000
      3       3.8524      2.00000
      4       5.0221      1.99999
      5       6.0469      1.78213
      6       7.3001      0.00006
      7       8.2579      0.00000
      8       9.2726      0.00000
      9      10.4512      0.00000
     10      10.9434      0.00000
     11      12.3304      0.00000
     12      13.1545      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8547      2.00000
      2      -0.3944      2.00000
      3       4.2305      2.00000
      4       5.2818      1.99988
      5       5.5659      1.99801
      6       6.8015      0.00860
      7       8.5619      0.00000
      8       9.4175      0.00000
      9       9.9400      0.00000
     10      11.2853      0.00000
     11      11.9725      0.00000
     12      13.0390      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6601      2.00000
      3       4.1145      2.00000
      4       4.8194      2.00000
      5       6.3926      0.40983
      6       7.4358      0.00002
      7       8.8205      0.00000
      8       9.4701      0.00000
      9       9.8948      0.00000
     10      10.9799      0.00000
     11      12.0675      0.00000
     12      12.5060      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0874      2.00000
      2       1.7021      2.00000
      3       4.0190      2.00000
      4       4.3367      2.00000
      5       6.9485      0.00198
      6       7.5963      0.00000
      7       8.6957      0.00000
      8       9.0945      0.00000
      9       9.9670      0.00000
     10      11.3574      0.00000
     11      11.4502      0.00000
     12      12.7761      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8151      2.00000
      3       3.1509      2.00000
      4       4.3600      2.00000
      5       7.1867      0.00018
      6       8.0222      0.00000
      7       8.5024      0.00000
      8       9.1901      0.00000
      9       9.9004      0.00000
     10      10.6014      0.00000
     11      11.9379      0.00000
     12      13.1335      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8131      2.00000
      3       2.4037      2.00000
      4       4.5731      2.00000
      5       6.6593      0.03518
      6       7.9144      0.00000
      7       8.9564      0.00000
      8       9.4168      0.00000
      9       9.9120      0.00000
     10      10.6813      0.00000
     11      11.9760      0.00000
     12      12.8206      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1236      2.00000
      3       2.5056      2.00000
      4       4.8511      2.00000
      5       5.9059      1.94205
      6       8.0919      0.00000
      7       8.3535      0.00000
      8       9.6006      0.00000
      9      10.3429      0.00000
     10      11.5415      0.00000
     11      11.7855      0.00000
     12      12.8224      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9630      2.00000
      2       0.3668      2.00000
      3       2.8559      2.00000
      4       4.9211      2.00000
      5       5.4884      1.99908
      6       7.5283      0.00001
      7       8.5230      0.00000
      8       9.9310      0.00000
      9      10.3441      0.00000
     10      11.2537      0.00000
     11      12.3439      0.00000
     12      12.8011      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5941      2.00000
      2      -0.1891      2.00000
      3       3.1956      2.00000
      4       4.5139      2.00000
      5       5.7233      1.99043
      6       6.9977      0.00121
      7       8.8224      0.00000
      8       9.9964      0.00000
      9      10.3143      0.00000
     10      11.2904      0.00000
     11      11.8046      0.00000
     12      13.0853      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7588      2.00000
      3       4.4434      2.00000
      4       5.1549      1.99997
      5       6.6816      0.02826
      6       7.5831      0.00000
      7       8.0347      0.00000
      8       8.5376      0.00000
      9      10.1160      0.00000
     10      11.3439      0.00000
     11      12.1168      0.00000
     12      12.3846      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7587      2.00000
      2       0.8027      2.00000
      3       4.3688      2.00000
      4       4.6341      2.00000
      5       7.2201      0.00013
      6       7.6018      0.00000
      7       7.8482      0.00000
      8       8.4811      0.00000
      9      10.5612      0.00000
     10      11.3375      0.00000
     11      11.6520      0.00000
     12      12.4241      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9309      2.00000
      3       3.4623      2.00000
      4       4.6635      2.00000
      5       6.7398      0.01589
      6       7.8605      0.00000
      7       8.0768      0.00000
      8       9.1179      0.00000
      9      10.5309      0.00000
     10      11.1428      0.00000
     11      11.7035      0.00000
     12      12.8278      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3622      2.00000
      2       1.1225      2.00000
      3       2.5070      2.00000
      4       4.8508      2.00000
      5       5.9067      1.94160
      6       8.0916      0.00000
      7       8.3523      0.00000
      8       9.6022      0.00000
      9      10.3481      0.00000
     10      11.5338      0.00000
     11      11.7876      0.00000
     12      12.8196      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0252      2.00000
      2       1.1881      2.00000
      3       1.8359      2.00000
      4       4.8112      2.00000
      5       5.4341      1.99947
      6       8.3995      0.00000
      7       8.4307      0.00000
      8       8.9543      0.00000
      9      11.1884      0.00000
     10      11.8072      0.00000
     11      12.0677      0.00000
     12      12.1254      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6182      2.00000
      2       0.6291      2.00000
      3       1.9591      2.00000
      4       4.2137      2.00000
      5       5.7011      1.99233
      6       7.8204      0.00000
      7       8.8214      0.00000
      8       9.0849      0.00000
      9      10.8209      0.00000
     10      11.4651      0.00000
     11      12.1801      0.00000
     12      12.6134      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2331      2.00000
      2       0.0801      2.00000
      3       2.2420      2.00000
      4       3.7359      2.00000
      5       6.0548      1.76629
      6       7.2791      0.00007
      7       9.1583      0.00000
      8       9.3740      0.00000
      9      10.3075      0.00000
     10      11.0865      0.00000
     11      12.4039      0.00000
     12      12.8553      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8474      2.00000
      4       5.5703      1.99792
      5       6.7524      0.01402
      6       7.4479      0.00001
      7       7.7226      0.00000
      8       7.8870      0.00000
      9       9.3442      0.00000
     10      11.6168      0.00000
     11      12.7645      0.00000
     12      13.0865      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3678      2.00000
      2       0.0263      2.00000
      3       4.8093      2.00000
      4       4.9841      1.99999
      5       6.8252      0.00679
      6       7.2123      0.00014
      7       7.8648      0.00000
      8       8.3031      0.00000
      9       9.7579      0.00000
     10      11.6927      0.00000
     11      12.0878      0.00000
     12      13.2322      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2155      2.00000
      2       0.1568      2.00000
      3       3.8540      2.00000
      4       5.0208      1.99999
      5       6.0497      1.77666
      6       7.2992      0.00006
      7       8.2572      0.00000
      8       9.2766      0.00000
      9      10.4521      0.00000
     10      10.9462      0.00000
     11      12.3380      0.00000
     12      13.1496      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       0.3663      2.00000
      3       2.8568      2.00000
      4       4.9220      2.00000
      5       5.4882      1.99908
      6       7.5280      0.00001
      7       8.5223      0.00000
      8       9.9310      0.00000
      9      10.3459      0.00000
     10      11.2596      0.00000
     11      12.3454      0.00000
     12      12.8032      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6188      2.00000
      2       0.6291      2.00000
      3       1.9594      2.00000
      4       4.2146      2.00000
      5       5.7005      1.99237
      6       7.8207      0.00000
      7       8.8205      0.00000
      8       9.0852      0.00000
      9      10.8211      0.00000
     10      11.4648      0.00000
     11      12.1844      0.00000
     12      12.6178      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1971      2.00000
      2       0.7680      2.00000
      3       1.3396      2.00000
      4       3.5393      2.00000
      5       6.0839      1.69931
      6       8.0146      0.00000
      7       8.4361      0.00000
      8       9.2139      0.00000
      9      10.6950      0.00000
     10      10.9775      0.00000
     11      11.7559      0.00000
     12      13.9019      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7816      2.00000
      2       0.3747      2.00000
      3       1.3944      2.00000
      4       3.0887      2.00000
      5       6.4749      0.20332
      6       7.5996      0.00000
      7       8.5595      0.00000
      8       9.5818      0.00000
      9      10.1428      0.00000
     10      10.7957      0.00000
     11      11.6491      0.00000
     12      13.8510      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5643      2.00000
      3       5.2474      1.99992
      4       5.9932      1.86659
      5       6.3366      0.62192
      6       7.0996      0.00044
      7       7.6183      0.00000
      8       8.1129      0.00000
      9       8.6764      0.00000
     10      11.4446      0.00000
     11      13.1087      0.00000
     12      14.1388      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0141      2.00000
      2      -0.5214      2.00000
      3       5.2879      1.99988
      4       5.2952      1.99987
      5       6.1735      1.39520
      6       6.7911      0.00955
      7       8.3212      0.00000
      8       8.3797      0.00000
      9       9.0325      0.00000
     10      11.5697      0.00000
     11      12.3695      0.00000
     12      13.8867      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8567      2.00000
      2      -0.3942      2.00000
      3       4.2309      2.00000
      4       5.2818      1.99988
      5       5.5677      1.99797
      6       6.8016      0.00859
      7       8.5608      0.00000
      8       9.4166      0.00000
      9       9.9471      0.00000
     10      11.2865      0.00000
     11      11.9835      0.00000
     12      13.0382      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5959      2.00000
      2      -0.1886      2.00000
      3       3.1956      2.00000
      4       4.5165      2.00000
      5       5.7215      1.99061
      6       6.9985      0.00120
      7       8.8214      0.00000
      8       9.9925      0.00000
      9      10.3175      0.00000
     10      11.2979      0.00000
     11      11.8092      0.00000
     12      13.0932      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2346      2.00000
      2       0.0810      2.00000
      3       2.2414      2.00000
      4       3.7377      2.00000
      5       6.0531      1.76979
      6       7.2806      0.00007
      7       9.1580      0.00000
      8       9.3712      0.00000
      9      10.3109      0.00000
     10      11.0855      0.00000
     11      12.4056      0.00000
     12      12.8629      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7827      2.00000
      2       0.3762      2.00000
      3       1.3934      2.00000
      4       3.0896      2.00000
      5       6.4737      0.20555
      6       7.6018      0.00000
      7       8.5576      0.00000
      8       9.5797      0.00000
      9      10.1485      0.00000
     10      10.7915      0.00000
     11      11.6507      0.00000
     12      13.8548      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2975      2.00000
      2       0.5571      2.00000
      3       0.7575      2.00000
      4       2.6819      2.00000
      5       6.9189      0.00267
      6       7.8178      0.00000
      7       7.9636      0.00000
      8       9.7139      0.00000
      9      10.0872      0.00000
     10      10.8063      0.00000
     11      11.0584      0.00000
     12      13.7138      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2315      2.00000
      2       2.5785      2.00000
      3       3.0718      2.00000
      4       4.7230      2.00000
      5       6.4133      0.34673
      6       8.0435      0.00000
      7       8.6463      0.00000
      8       9.1607      0.00000
      9      10.4909      0.00000
     10      10.8537      0.00000
     11      11.8495      0.00000
     12      12.6381      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1818      2.00000
      2       2.6299      2.00000
      3       3.0710      2.00000
      4       4.1473      2.00000
      5       7.0929      0.00047
      6       8.0844      0.00000
      7       8.6949      0.00000
      8       9.1016      0.00000
      9       9.8210      0.00000
     10      10.4934      0.00000
     11      12.4886      0.00000
     12      13.1131      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0337      2.00000
      2       2.7650      2.00000
      3       2.8093      2.00000
      4       3.5481      2.00000
      5       8.1194      0.00000
      6       8.1996      0.00000
      7       8.8202      0.00000
      8       8.8534      0.00000
      9       8.8810      0.00000
     10      10.1772      0.00000
     11      13.0619      0.00000
     12      13.7734      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7901      2.00000
      2       1.9414      2.00000
      3       3.0419      2.00000
      4       3.6099      2.00000
      5       7.6262      0.00000
      6       7.9995      0.00000
      7       8.6151      0.00000
      8       9.0815      0.00000
      9       9.3092      0.00000
     10      10.5991      0.00000
     11      12.7748      0.00000
     12      13.6458      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4586      2.00000
      2       1.0640      2.00000
      3       3.3983      2.00000
      4       3.8503      2.00000
      5       6.7321      0.01714
      6       7.3090      0.00005
      7       8.9213      0.00000
      8       9.3942      0.00000
      9       9.6692      0.00000
     10      11.8367      0.00000
     11      12.0267      0.00000
     12      12.9227      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0621      2.00000
      2       0.2901      2.00000
      3       3.8494      2.00000
      4       4.1398      2.00000
      5       5.8986      1.94598
      6       6.6916      0.02560
      7       9.3564      0.00000
      8       9.6936      0.00000
      9       9.9387      0.00000
     10      11.2560      0.00000
     11      12.1486      0.00000
     12      12.9874      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6977      2.00000
      2      -0.2654      2.00000
      3       4.3445      2.00000
      4       4.3870      2.00000
      5       5.1935      1.99995
      6       6.2916      0.82916
      7       9.8229      0.00000
      8       9.8896      0.00000
      9      10.2697      0.00000
     10      10.5551      0.00000
     11      11.5866      0.00000
     12      12.9196      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7696      2.00000
      3       3.1263      2.00000
      4       4.9659      2.00000
      5       6.5711      0.08291
      6       7.9143      0.00000
      7       8.5928      0.00000
      8       9.6064      0.00000
      9      10.0245      0.00000
     10      10.9333      0.00000
     11      11.3398      0.00000
     12      12.6401      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9391      2.00000
      2       1.8144      2.00000
      3       3.1488      2.00000
      4       4.3632      2.00000
      5       7.1903      0.00018
      6       8.0214      0.00000
      7       8.4972      0.00000
      8       9.1911      0.00000
      9       9.9010      0.00000
     10      10.6023      0.00000
     11      11.9430      0.00000
     12      13.1344      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7904      2.00000
      2       1.9391      2.00000
      3       3.0444      2.00000
      4       3.6098      2.00000
      5       7.6299      0.00000
      6       7.9952      0.00000
      7       8.6173      0.00000
      8       9.0843      0.00000
      9       9.3092      0.00000
     10      10.5933      0.00000
     11      12.7795      0.00000
     12      13.6532      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5455      2.00000
      2       1.9684      2.00000
      3       2.4551      2.00000
      4       3.6317      2.00000
      5       6.8640      0.00462
      6       7.9181      0.00000
      7       8.5389      0.00000
      8       9.0996      0.00000
      9      10.0723      0.00000
     10      10.9311      0.00000
     11      13.0619      0.00000
     12      13.0793      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2117      2.00000
      2       1.2635      2.00000
      3       2.6057      2.00000
      4       3.8884      2.00000
      5       6.0113      1.84221
      6       7.3195      0.00005
      7       8.6478      0.00000
      8       9.4149      0.00000
      9      10.6285      0.00000
     10      11.8691      0.00000
     11      12.3505      0.00000
     12      12.6888      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8107      2.00000
      2       0.5035      2.00000
      3       2.9791      2.00000
      4       4.1976      2.00000
      5       5.2611      1.99991
      6       6.6661      0.03291
      7       8.9719      0.00000
      8       9.7740      0.00000
      9      10.8981      0.00000
     10      11.3842      0.00000
     11      12.0351      0.00000
     12      13.5856      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4373      2.00000
      2      -0.0565      2.00000
      3       3.3415      2.00000
      4       4.4066      2.00000
      5       4.7655      2.00000
      6       6.2235      1.16637
      7       9.2547      0.00000
      8      10.1347      0.00000
      9      10.8060      0.00000
     10      11.1123      0.00000
     11      11.5723      0.00000
     12      13.5004      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8856      2.00000
      3       3.4289      2.00000
      4       5.3012      1.99986
      5       6.4583      0.23591
      6       7.4687      0.00001
      7       8.6812      0.00000
      8       8.8177      0.00000
      9      10.6488      0.00000
     10      11.2459      0.00000
     11      11.4988      0.00000
     12      12.5256      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6091      2.00000
      2       0.9306      2.00000
      3       3.4598      2.00000
      4       4.6666      2.00000
      5       6.7381      0.01616
      6       7.8647      0.00000
      7       8.0791      0.00000
      8       9.1129      0.00000
      9      10.5320      0.00000
     10      11.1439      0.00000
     11      11.7067      0.00000
     12      12.8227      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4592      2.00000
      2       1.0624      2.00000
      3       3.4005      2.00000
      4       3.8497      2.00000
      5       6.7345      0.01675
      6       7.3067      0.00006
      7       8.9241      0.00000
      8       9.3974      0.00000
      9       9.6708      0.00000
     10      11.8045      0.00000
     11      12.0546      0.00000
     12      12.9311      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2121      2.00000
      2       1.2623      2.00000
      3       2.6073      2.00000
      4       3.8879      2.00000
      5       6.0124      1.84058
      6       7.3178      0.00005
      7       8.6494      0.00000
      8       9.4150      0.00000
      9      10.6349      0.00000
     10      11.8623      0.00000
     11      12.3434      0.00000
     12      12.6971      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       1.3444      2.00000
      3       1.9422      2.00000
      4       4.1189      2.00000
      5       5.2392      1.99992
      6       7.3390      0.00004
      7       8.0484      0.00000
      8       9.7309      0.00000
      9      11.2763      0.00000
     10      11.8873      0.00000
     11      12.5373      0.00000
     12      12.7945      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4656      2.00000
      2       0.7736      2.00000
      3       2.0902      2.00000
      4       4.1377      2.00000
      5       4.8451      2.00000
      6       6.8531      0.00514
      7       8.1223      0.00000
      8      10.0383      0.00000
      9      10.6837      0.00000
     10      12.0008      0.00000
     11      12.8463      0.00000
     12      13.3144      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0767      2.00000
      2       0.2184      2.00000
      3       2.3916      2.00000
      4       3.7743      2.00000
      5       5.0136      1.99999
      6       6.3864      0.43053
      7       8.3415      0.00000
      8      10.0577      0.00000
      9      10.5406      0.00000
     10      11.6787      0.00000
     11      13.0080      0.00000
     12      13.6647      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2667      2.00000
      2       0.1118      2.00000
      3       3.8128      2.00000
      4       5.7163      1.99108
      5       5.9133      1.93769
      6       7.5829      0.00000
      7       7.8681      0.00000
      8       8.9538      0.00000
      9      10.1189      0.00000
     10      11.6301      0.00000
     11      12.2061      0.00000
     12      12.8448      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2157      2.00000
      2       0.1566      2.00000
      3       3.8515      2.00000
      4       5.0236      1.99999
      5       6.0472      1.78161
      6       7.3028      0.00006
      7       8.2629      0.00000
      8       9.2717      0.00000
      9      10.4531      0.00000
     10      10.9461      0.00000
     11      12.3363      0.00000
     12      13.1490      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0633      2.00000
      2       0.2893      2.00000
      3       3.8512      2.00000
      4       4.1383      2.00000
      5       5.9014      1.94449
      6       6.6903      0.02593
      7       9.3590      0.00000
      8       9.6957      0.00000
      9       9.9403      0.00000
     10      11.2581      0.00000
     11      12.1564      0.00000
     12      12.9816      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8117      2.00000
      2       0.5030      2.00000
      3       2.9801      2.00000
      4       4.1967      2.00000
      5       5.2632      1.99990
      6       6.6649      0.03331
      7       8.9730      0.00000
      8       9.7733      0.00000
      9      10.9040      0.00000
     10      11.3876      0.00000
     11      12.0343      0.00000
     12      13.5778      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4662      2.00000
      2       0.7736      2.00000
      3       2.0905      2.00000
      4       4.1381      2.00000
      5       4.8453      2.00000
      6       6.8526      0.00517
      7       8.1227      0.00000
      8      10.0376      0.00000
      9      10.6856      0.00000
     10      12.0015      0.00000
     11      12.8516      0.00000
     12      13.3135      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0436      2.00000
      2       0.9248      2.00000
      3       1.4701      2.00000
      4       3.5894      2.00000
      5       5.0878      1.99998
      6       6.9434      0.00209
      7       7.5403      0.00001
      8       9.8478      0.00000
      9      10.6264      0.00000
     10      12.2759      0.00000
     11      12.9054      0.00000
     12      14.0776      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6257      2.00000
      2       0.5219      2.00000
      3       1.5457      2.00000
      4       3.1490      2.00000
      5       5.4297      1.99949
      6       6.6098      0.05707
      7       7.5324      0.00001
      8       9.4947      0.00000
      9      10.9387      0.00000
     10      11.9967      0.00000
     11      12.9253      0.00000
     12      14.5558      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9094      2.00000
      2      -0.4379      2.00000
      3       4.1812      2.00000
      4       5.4031      1.99961
      5       6.1384      1.53213
      6       7.2463      0.00010
      7       7.8016      0.00000
      8       8.9594      0.00000
      9       9.8262      0.00000
     10      11.9842      0.00000
     11      11.9847      0.00000
     12      13.3957      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8569      2.00000
      2      -0.3944      2.00000
      3       4.2285      2.00000
      4       5.2813      1.99988
      5       5.5680      1.99797
      6       6.8055      0.00826
      7       8.5673      0.00000
      8       9.4161      0.00000
      9       9.9422      0.00000
     10      11.2865      0.00000
     11      11.9821      0.00000
     12      13.0377      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6997      2.00000
      2      -0.2652      2.00000
      3       4.3600      2.00000
      4       4.3689      2.00000
      5       5.1986      1.99995
      6       6.2910      0.83199
      7       9.8307      0.00000
      8       9.8831      0.00000
      9      10.2689      0.00000
     10      10.5627      0.00000
     11      11.5961      0.00000
     12      12.9162      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4392      2.00000
      2      -0.0560      2.00000
      3       3.3414      2.00000
      4       4.4063      2.00000
      5       4.7677      2.00000
      6       6.2228      1.16962
      7       9.2550      0.00000
      8      10.1315      0.00000
      9      10.8126      0.00000
     10      11.1139      0.00000
     11      11.5784      0.00000
     12      13.5046      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0783      2.00000
      2       0.2194      2.00000
      3       2.3909      2.00000
      4       3.7761      2.00000
      5       5.0130      1.99999
      6       6.3864      0.43041
      7       8.3414      0.00000
      8      10.0576      0.00000
      9      10.5429      0.00000
     10      11.6777      0.00000
     11      13.0153      0.00000
     12      13.6653      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6267      2.00000
      2       0.5235      2.00000
      3       1.5445      2.00000
      4       3.1499      2.00000
      5       5.4290      1.99949
      6       6.6106      0.05667
      7       7.5319      0.00001
      8       9.4953      0.00000
      9      10.9390      0.00000
     10      11.9959      0.00000
     11      12.9256      0.00000
     12      14.5638      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1417      2.00000
      2       0.7141      2.00000
      3       0.9100      2.00000
      4       2.7416      2.00000
      5       5.8752      1.95702
      6       6.7442      0.01521
      7       6.9306      0.00237
      8       9.1427      0.00000
      9      11.3837      0.00000
     10      12.1301      0.00000
     11      12.3504      0.00000
     12      14.6294      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7450      2.00000
      2       1.7579      2.00000
      3       2.3765      2.00000
      4       5.2086      1.99994
      5       6.3588      0.53087
      6       7.4642      0.00001
      7       9.7060      0.00000
      8       9.7307      0.00000
      9      10.0302      0.00000
     10      10.3537      0.00000
     11      11.2994      0.00000
     12      12.4517      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6950      2.00000
      2       1.8098      2.00000
      3       2.4047      2.00000
      4       4.5762      2.00000
      5       6.6584      0.03550
      6       7.9191      0.00000
      7       8.9547      0.00000
      8       9.4219      0.00000
      9       9.9059      0.00000
     10      10.6804      0.00000
     11      11.9813      0.00000
     12      12.8270      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5458      2.00000
      2       1.9652      2.00000
      3       2.4567      2.00000
      4       3.6335      2.00000
      5       6.8626      0.00468
      6       7.9178      0.00000
      7       8.5420      0.00000
      8       9.1058      0.00000
      9      10.0665      0.00000
     10      10.9291      0.00000
     11      13.0697      0.00000
     12      13.0779      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2998      2.00000
      2       2.2039      2.00000
      3       2.2489      2.00000
      4       3.0642      2.00000
      5       6.8726      0.00424
      6       6.9265      0.00247
      7       7.9361      0.00000
      8      10.3014      0.00000
      9      10.3359      0.00000
     10      11.1692      0.00000
     11      12.3425      0.00000
     12      13.7476      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       1.4820      2.00000
      3       2.5848      2.00000
      4       3.1534      2.00000
      5       5.9546      1.90732
      6       6.5482      0.10316
      7       7.8186      0.00000
      8      10.6581      0.00000
      9      10.8557      0.00000
     10      11.3788      0.00000
     11      12.5453      0.00000
     12      13.5730      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5591      2.00000
      2       0.7247      2.00000
      3       3.0401      2.00000
      4       3.3943      2.00000
      5       5.1058      1.99998
      6       6.0289      1.81474
      7       8.0342      0.00000
      8      10.4474      0.00000
      9      11.0931      0.00000
     10      11.5104      0.00000
     11      12.9342      0.00000
     12      13.9412      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1774      2.00000
      2       0.1588      2.00000
      3       3.5487      2.00000
      4       3.6004      2.00000
      5       4.3903      2.00000
      6       5.6747      1.99410
      7       8.2580      0.00000
      8      10.0621      0.00000
      9      11.5895      0.00000
     10      11.6423      0.00000
     11      12.2859      0.00000
     12      14.0111      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4129      2.00000
      2       1.0739      2.00000
      3       2.4677      2.00000
      4       5.5436      1.99841
      5       5.7111      1.99153
      6       7.5462      0.00001
      7       8.9140      0.00000
      8      10.0080      0.00000
      9      10.2124      0.00000
     10      11.0934      0.00000
     11      11.4347      0.00000
     12      12.6303      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3626      2.00000
      2       1.1214      2.00000
      3       2.5057      2.00000
      4       4.8535      2.00000
      5       5.9048      1.94265
      6       8.0962      0.00000
      7       8.3564      0.00000
      8       9.6044      0.00000
      9      10.3411      0.00000
     10      11.5304      0.00000
     11      11.7966      0.00000
     12      12.8256      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2123      2.00000
      2       1.2616      2.00000
      3       2.6061      2.00000
      4       3.8900      2.00000
      5       6.0105      1.84334
      6       7.3198      0.00005
      7       8.6512      0.00000
      8       9.4210      0.00000
      9      10.6275      0.00000
     10      11.8581      0.00000
     11      12.3523      0.00000
     12      12.6991      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       1.4805      2.00000
      3       2.5867      2.00000
      4       3.1530      2.00000
      5       5.9559      1.90620
      6       6.5462      0.10519
      7       7.8205      0.00000
      8      10.6607      0.00000
      9      10.8615      0.00000
     10      11.3747      0.00000
     11      12.5375      0.00000
     12      13.5802      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6252      2.00000
      2       1.6038      2.00000
      3       2.0813      2.00000
      4       3.2279      2.00000
      5       5.3107      1.99984
      6       6.3079      0.75109
      7       7.2559      0.00009
      8      10.3469      0.00000
      9      11.2276      0.00000
     10      12.2143      0.00000
     11      13.0077      0.00000
     12      13.9538      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2134      2.00000
      2       1.0094      2.00000
      3       2.2955      2.00000
      4       3.5080      2.00000
      5       4.5837      2.00000
      6       5.9198      1.93366
      7       7.2064      0.00015
      8       9.7496      0.00000
      9      11.6138      0.00000
     10      12.7710      0.00000
     11      13.6222      0.00000
     12      14.2408      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8174      2.00000
      2       0.4440      2.00000
      3       2.6374      2.00000
      4       3.7126      2.00000
      5       4.0838      2.00000
      6       5.5509      1.99829
      7       7.3388      0.00004
      8       9.3705      0.00000
      9      11.9771      0.00000
     10      12.8739      0.00000
     11      13.3018      0.00000
     12      14.8998      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0154      2.00000
      2       0.3195      2.00000
      3       2.8117      2.00000
      4       5.0232      1.99999
      5       5.9581      1.90417
      6       7.8141      0.00000
      7       8.1076      0.00000
      8       9.7715      0.00000
      9      10.5949      0.00000
     10      11.1180      0.00000
     11      12.1673      0.00000
     12      12.9265      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       0.3657      2.00000
      3       2.8551      2.00000
      4       4.9213      2.00000
      5       5.4892      1.99908
      6       7.5317      0.00001
      7       8.5286      0.00000
      8       9.9340      0.00000
      9      10.3440      0.00000
     10      11.2551      0.00000
     11      12.3481      0.00000
     12      12.8048      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8120      2.00000
      2       0.5026      2.00000
      3       2.9786      2.00000
      4       4.1985      2.00000
      5       5.2614      1.99991
      6       6.6673      0.03253
      7       8.9744      0.00000
      8       9.7800      0.00000
      9      10.8974      0.00000
     10      11.3871      0.00000
     11      12.0374      0.00000
     12      13.5821      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5601      2.00000
      2       0.7243      2.00000
      3       3.0415      2.00000
      4       3.3930      2.00000
      5       5.1080      1.99998
      6       6.0273      1.81742
      7       8.0359      0.00000
      8      10.4496      0.00000
      9      11.0977      0.00000
     10      11.5109      0.00000
     11      12.9338      0.00000
     12      13.9372      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2141      2.00000
      2       1.0094      2.00000
      3       2.2958      2.00000
      4       3.5074      2.00000
      5       4.5851      2.00000
      6       5.9185      1.93450
      7       7.2075      0.00015
      8       9.7505      0.00000
      9      11.6139      0.00000
     10      12.7767      0.00000
     11      13.6196      0.00000
     12      14.2378      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7898      2.00000
      2       1.1852      2.00000
      3       1.6788      2.00000
      4       3.5569      2.00000
      5       4.2326      2.00000
      6       5.9071      1.94135
      7       6.6359      0.04427
      8       9.1724      0.00000
      9      12.0182      0.00000
     10      13.6296      0.00000
     11      14.2003      0.00000
     12      14.3562      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3670      2.00000
      2       0.7638      2.00000
      3       1.7956      2.00000
      4       3.2300      2.00000
      5       4.4134      2.00000
      6       5.6398      1.99584
      7       6.5260      0.12714
      8       8.8306      0.00000
      9      12.3985      0.00000
     10      13.3737      0.00000
     11      14.3278      0.00000
     12      14.8135      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6488      2.00000
      2      -0.2337      2.00000
      3       3.1447      2.00000
      4       4.5135      2.00000
      5       6.3794      0.45482
      6       7.4881      0.00001
      7       8.0621      0.00000
      8       9.4694      0.00000
      9      10.9551      0.00000
     10      11.2478      0.00000
     11      12.3652      0.00000
     12      12.4810      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5964      2.00000
      2      -0.1890      2.00000
      3       3.1939      2.00000
      4       4.5140      2.00000
      5       5.7234      1.99042
      6       7.0029      0.00115
      7       8.8280      0.00000
      8       9.9990      0.00000
      9      10.3157      0.00000
     10      11.2882      0.00000
     11      11.8119      0.00000
     12      13.0849      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4395      2.00000
      2      -0.0562      2.00000
      3       3.3400      2.00000
      4       4.4059      2.00000
      5       4.7681      2.00000
      6       6.2254      1.15719
      7       9.2562      0.00000
      8      10.1403      0.00000
      9      10.8110      0.00000
     10      11.1103      0.00000
     11      11.5769      0.00000
     12      13.5003      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1794      2.00000
      2       0.1595      2.00000
      3       3.5570      2.00000
      4       3.5894      2.00000
      5       4.3949      2.00000
      6       5.6737      1.99416
      7       8.2591      0.00000
      8      10.0650      0.00000
      9      11.6006      0.00000
     10      11.6339      0.00000
     11      12.2917      0.00000
     12      14.0118      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8191      2.00000
      2       0.4452      2.00000
      3       2.6365      2.00000
      4       3.7119      2.00000
      5       4.0864      2.00000
      6       5.5497      1.99831
      7       7.3396      0.00004
      8       9.3720      0.00000
      9      11.9763      0.00000
     10      12.8750      0.00000
     11      13.3086      0.00000
     12      14.9053      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3682      2.00000
      2       0.7656      2.00000
      3       1.7942      2.00000
      4       3.2309      2.00000
      5       4.4134      2.00000
      6       5.6392      1.99586
      7       6.5264      0.12670
      8       8.8312      0.00000
      9      12.3980      0.00000
     10      13.3742      0.00000
     11      14.3271      0.00000
     12      14.8205      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1170      2.00000
      2       0.9749      2.00000
      3       1.1620      2.00000
      4       2.8314      2.00000
      5       4.8512      2.00000
      6       5.7056      1.99197
      7       5.9176      1.93508
      8       8.5230      0.00000
      9      12.8450      0.00000
     10      13.5718      0.00000
     11      13.7783      0.00000
     12      15.8028      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0765      2.00000
      2       1.1327      2.00000
      3       1.7996      2.00000
      4       4.9110      2.00000
      5       5.8785      1.95562
      6       7.8041      0.00000
      7       9.1168      0.00000
      8       9.4031      0.00000
      9      10.4724      0.00000
     10      11.3173      0.00000
     11      11.9578      0.00000
     12      12.7766      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0260      2.00000
      2       1.1849      2.00000
      3       1.8371      2.00000
      4       4.8109      2.00000
      5       5.4352      1.99946
      6       8.4048      0.00000
      7       8.4311      0.00000
      8       8.9604      0.00000
      9      11.1859      0.00000
     10      11.8067      0.00000
     11      12.0752      0.00000
     12      12.1231      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8749      2.00000
      2       1.3413      2.00000
      3       1.9437      2.00000
      4       4.1206      2.00000
      5       5.2379      1.99993
      6       7.3394      0.00004
      7       8.0522      0.00000
      8       9.7377      0.00000
      9      11.2778      0.00000
     10      11.8770      0.00000
     11      12.5412      0.00000
     12      12.7987      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6256      2.00000
      2       1.6010      2.00000
      3       2.0835      2.00000
      4       3.2286      2.00000
      5       5.3099      1.99985
      6       6.3079      0.75130
      7       7.2580      0.00009
      8      10.3482      0.00000
      9      11.2346      0.00000
     10      12.2058      0.00000
     11      13.0068      0.00000
     12      13.9589      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2836      2.00000
      2       1.9422      2.00000
      3       1.9874      2.00000
      4       2.6960      2.00000
      5       5.3320      1.99981
      6       5.3801      1.99969
      7       6.6489      0.03896
      8       9.6501      0.00000
      9      12.5448      0.00000
     10      12.5830      0.00000
     11      13.5021      0.00000
     12      14.7094      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8665      2.00000
      2       1.3207      2.00000
      3       2.4214      2.00000
      4       2.8167      2.00000
      5       4.5001      2.00000
      6       5.2020      1.99995
      7       6.4034      0.37584
      8       9.0724      0.00000
      9      12.9845      0.00000
     10      13.3091      0.00000
     11      14.6419      0.00000
     12      14.6797      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4582      2.00000
      2       0.7458      2.00000
      3       2.9347      2.00000
      4       3.0022      2.00000
      5       3.7817      2.00000
      6       4.9679      1.99999
      7       6.4157      0.33984
      8       8.7326      0.00000
      9      13.4571      0.00000
     10      13.5787      0.00000
     11      14.1432      0.00000
     12      15.4879      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6708      2.00000
      2       0.5791      2.00000
      3       1.9144      2.00000
      4       4.2055      2.00000
      5       6.2924      0.82524
      6       8.1297      0.00000
      7       8.4316      0.00000
      8       9.6686      0.00000
      9      10.1352      0.00000
     10      11.5194      0.00000
     11      11.9924      0.00000
     12      12.4923      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6197      2.00000
      2       0.6277      2.00000
      3       1.9589      2.00000
      4       4.2129      2.00000
      5       5.7025      1.99222
      6       7.8238      0.00000
      7       8.8270      0.00000
      8       9.0887      0.00000
      9      10.8232      0.00000
     10      11.4673      0.00000
     11      12.1851      0.00000
     12      12.6119      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4670      2.00000
      2       0.7724      2.00000
      3       2.0901      2.00000
      4       4.1377      2.00000
      5       4.8456      2.00000
      6       6.8547      0.00506
      7       8.1254      0.00000
      8      10.0445      0.00000
      9      10.6861      0.00000
     10      12.0013      0.00000
     11      12.8468      0.00000
     12      13.3182      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2145      2.00000
      2       1.0086      2.00000
      3       2.2957      2.00000
      4       3.5083      2.00000
      5       4.5840      2.00000
      6       5.9197      1.93373
      7       7.2088      0.00015
      8       9.7515      0.00000
      9      11.6206      0.00000
     10      12.7685      0.00000
     11      13.6213      0.00000
     12      14.2437      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8672      2.00000
      2       1.3206      2.00000
      3       2.4225      2.00000
      4       2.8154      2.00000
      5       4.5019      2.00000
      6       5.1999      1.99995
      7       6.4049      0.37124
      8       9.0732      0.00000
      9      12.9897      0.00000
     10      13.3089      0.00000
     11      14.5926      0.00000
     12      14.7261      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4398      2.00000
      2       1.5473      2.00000
      3       1.9390      2.00000
      4       2.9883      2.00000
      5       4.0277      2.00000
      6       4.9523      2.00000
      7       5.8215      1.97465
      8       8.5463      0.00000
      9      13.5350      0.00000
     10      14.5158      0.00000
     11      15.1145      0.00000
     12      15.2270      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0085      2.00000
      2       1.0921      2.00000
      3       2.1386      2.00000
      4       3.2177      2.00000
      5       3.5678      2.00000
      6       4.7747      2.00000
      7       5.6006      1.99719
      8       8.2496      0.00000
      9      13.9391      0.00000
     10      14.7580      0.00000
     11      15.1597      0.00000
     12      15.7481      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2879      2.00000
      2       0.0335      2.00000
      3       2.1906      2.00000
      4       3.7181      2.00000
      5       6.7130      0.02072
      6       7.8174      0.00000
      7       8.4149      0.00000
      8       9.7702      0.00000
      9      10.0292      0.00000
     10      11.4241      0.00000
     11      11.6731      0.00000
     12      12.7818      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2356      2.00000
      2       0.0801      2.00000
      3       2.2407      2.00000
      4       3.7357      2.00000
      5       6.0545      1.76700
      6       7.2849      0.00007
      7       9.1639      0.00000
      8       9.3765      0.00000
      9      10.3121      0.00000
     10      11.0883      0.00000
     11      12.4084      0.00000
     12      12.8523      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0792      2.00000
      2       0.2187      2.00000
      3       2.3904      2.00000
      4       3.7744      2.00000
      5       5.0140      1.99999
      6       6.3894      0.42051
      7       8.3437      0.00000
      8      10.0619      0.00000
      9      10.5457      0.00000
     10      11.6818      0.00000
     11      13.0071      0.00000
     12      13.6681      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8197      2.00000
      2       0.4448      2.00000
      3       2.6363      2.00000
      4       3.7116      2.00000
      5       4.0862      2.00000
      6       5.5513      1.99828
      7       7.3407      0.00004
      8       9.3729      0.00000
      9      11.9831      0.00000
     10      12.8751      0.00000
     11      13.3037      0.00000
     12      14.8968      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4602      2.00000
      2       0.7473      2.00000
      3       2.9394      2.00000
      4       2.9945      2.00000
      5       3.7859      2.00000
      6       4.9659      2.00000
      7       6.4173      0.33518
      8       8.7339      0.00000
      9      13.4635      0.00000
     10      13.5754      0.00000
     11      14.1482      0.00000
     12      15.4881      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0099      2.00000
      2       1.0944      2.00000
      3       2.1367      2.00000
      4       3.2168      2.00000
      5       3.5705      2.00000
      6       4.7727      2.00000
      7       5.6019      1.99715
      8       8.2500      0.00000
      9      13.9383      0.00000
     10      14.7596      0.00000
     11      15.1655      0.00000
     12      15.7469      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4758      2.00000
      2       1.3376      2.00000
      3       1.5082      2.00000
      4       2.9331      2.00000
      5       3.9096      2.00000
      6       4.7490      2.00000
      7       4.9852      1.99999
      8       7.9839      0.00000
      9      14.3839      0.00000
     10      15.0538      0.00000
     11      15.2625      0.00000
     12      16.3995      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2500      2.00000
      2       0.7126      2.00000
      3       1.2971      2.00000
      4       3.5171      2.00000
      5       6.7066      0.02207
      6       8.5057      0.00000
      7       8.7239      0.00000
      8       8.9596      0.00000
      9      10.1886      0.00000
     10      11.0419      0.00000
     11      11.1913      0.00000
     12      13.5208      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1987      2.00000
      2       0.7650      2.00000
      3       1.3413      2.00000
      4       3.5381      2.00000
      5       6.0851      1.69610
      6       8.0154      0.00000
      7       8.4430      0.00000
      8       9.2201      0.00000
      9      10.6976      0.00000
     10      10.9804      0.00000
     11      11.7590      0.00000
     12      13.9200      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0451      2.00000
      2       0.9219      2.00000
      3       1.4720      2.00000
      4       3.5885      2.00000
      5       5.0885      1.99998
      6       6.9440      0.00208
      7       7.5453      0.00001
      8       9.8513      0.00000
      9      10.6310      0.00000
     10      12.2788      0.00000
     11      12.9094      0.00000
     12      14.0760      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7910      2.00000
      2       1.1825      2.00000
      3       1.6812      2.00000
      4       3.5569      2.00000
      5       4.2321      2.00000
      6       5.9073      1.94126
      7       6.6393      0.04282
      8       9.1740      0.00000
      9      12.0248      0.00000
     10      13.6288      0.00000
     11      14.1968      0.00000
     12      14.3646      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4405      2.00000
      2       1.5448      2.00000
      3       1.9421      2.00000
      4       2.9878      2.00000
      5       4.0273      2.00000
      6       4.9520      2.00000
      7       5.8234      1.97417
      8       8.5469      0.00000
      9      13.5429      0.00000
     10      14.5048      0.00000
     11      15.1222      0.00000
     12      15.2246      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0068      2.00000
      2       1.9833      2.00000
      3       2.0277      2.00000
      4       2.4585      2.00000
      5       4.0720      2.00000
      6       4.1173      2.00000
      7       5.1656      1.99996
      8       8.0757      0.00000
      9      14.9433      0.00000
     10      14.9803      0.00000
     11      15.8012      0.00000
     12      15.9526      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4408      2.00000
      2       1.4825      2.00000
      3       2.5195      2.00000
      4       2.5982      2.00000
      5       3.3739      2.00000
      6       4.1242      2.00000
      7       4.7851      2.00000
      8       7.8188      0.00000
      9      15.3993      0.00000
     10      15.6113      0.00000
     11      15.9900      0.00000
     12      16.8432      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8368      2.00000
      2       0.3252      2.00000
      3       1.3435      2.00000
      4       3.0665      2.00000
      5       7.1288      0.00033
      6       8.2106      0.00000
      7       8.8528      0.00000
      8       9.2190      0.00000
      9       9.9511      0.00000
     10      10.6208      0.00000
     11      10.9028      0.00000
     12      13.4412      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7847      2.00000
      2       0.3747      2.00000
      3       1.3941      2.00000
      4       3.0882      2.00000
      5       6.4737      0.20554
      6       7.6058      0.00000
      7       8.5633      0.00000
      8       9.5873      0.00000
      9      10.1476      0.00000
     10      10.7967      0.00000
     11      11.6541      0.00000
     12      13.8579      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6286      2.00000
      2       0.5221      2.00000
      3       1.5454      2.00000
      4       3.1487      2.00000
      5       5.4290      1.99949
      6       6.6131      0.05525
      7       7.5359      0.00001
      8       9.4979      0.00000
      9      10.9437      0.00000
     10      12.0006      0.00000
     11      12.9309      0.00000
     12      14.5516      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3697      2.00000
      2       0.7645      2.00000
      3       1.7954      2.00000
      4       3.2300      2.00000
      5       4.4128      2.00000
      6       5.6409      1.99579
      7       6.5292      0.12342
      8       8.8327      0.00000
      9      12.4041      0.00000
     10      13.3783      0.00000
     11      14.3339      0.00000
     12      14.8109      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0109      2.00000
      2       1.0937      2.00000
      3       2.1384      2.00000
      4       3.2163      2.00000
      5       3.5691      2.00000
      6       4.7735      2.00000
      7       5.6035      1.99710
      8       8.2507      0.00000
      9      13.9458      0.00000
     10      14.7593      0.00000
     11      15.1602      0.00000
     12      15.7534      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4390      2.00000
      2       1.4855      2.00000
      3       2.5226      2.00000
      4       2.5915      2.00000
      5       3.3779      2.00000
      6       4.1202      2.00000
      7       4.7877      2.00000
      8       7.8191      0.00000
      9      15.4050      0.00000
     10      15.6081      0.00000
     11      15.9927      0.00000
     12      16.8428      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9270      2.00000
      2       1.7962      2.00000
      3       1.9319      2.00000
      4       2.9384      2.00000
      5       3.1611      2.00000
      6       3.8910      2.00000
      7       4.1601      2.00000
      8       7.5869      0.00000
      9      15.9335      0.00000
     10      16.4665      0.00000
     11      16.7204      0.00000
     12      16.8088      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3540      2.00000
      2       0.5017      2.00000
      3       0.7106      2.00000
      4       2.6601      2.00000
      5       7.5632      0.00000
      6       8.5283      0.00000
      7       8.6301      0.00000
      8       9.3233      0.00000
      9      10.0124      0.00000
     10      10.0550      0.00000
     11      10.2907      0.00000
     12      13.3372      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3019      2.00000
      2       0.5542      2.00000
      3       0.7617      2.00000
      4       2.6810      2.00000
      5       6.9154      0.00276
      6       7.8188      0.00000
      7       7.9758      0.00000
      8       9.7182      0.00000
      9      10.0902      0.00000
     10      10.8101      0.00000
     11      11.0629      0.00000
     12      13.7203      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1458      2.00000
      2       0.7113      2.00000
      3       0.9143      2.00000
      4       2.7409      2.00000
      5       5.8724      1.95819
      6       6.7449      0.01510
      7       6.9393      0.00218
      8       9.1453      0.00000
      9      11.3876      0.00000
     10      12.1343      0.00000
     11      12.3573      0.00000
     12      14.6368      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1131      2.00000
      2       0.9723      2.00000
      3       1.1667      2.00000
      4       2.8310      2.00000
      5       4.8481      2.00000
      6       5.7059      1.99195
      7       5.9243      1.93071
      8       8.5248      0.00000
      9      12.8495      0.00000
     10      13.5763      0.00000
     11      13.7864      0.00000
     12      15.8112      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4725      2.00000
      2       1.3352      2.00000
      3       1.5136      2.00000
      4       2.9330      2.00000
      5       3.9059      2.00000
      6       4.7487      2.00000
      7       4.9903      1.99999
      8       7.9849      0.00000
      9      14.3895      0.00000
     10      15.0579      0.00000
     11      15.2701      0.00000
     12      16.3956      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9246      2.00000
      2       1.7941      2.00000
      3       1.9384      2.00000
      4       2.9367      2.00000
      5       3.1583      2.00000
      6       3.8902      2.00000
      7       4.1636      2.00000
      8       7.5873      0.00000
      9      15.9413      0.00000
     10      16.4650      0.00000
     11      16.7091      0.00000
     12      16.8257      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4222      2.00000
      2       2.2954      2.00000
      3       2.3297      2.00000
      4       2.3732      2.00000
      5       3.1542      2.00000
      6       3.1904      2.00000
      7       3.5024      2.00000
      8       7.3751      0.00003
      9      17.2327      0.00000
     10      17.2767      0.00000
     11      17.4612      0.00000
     12      17.9472      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6391      2.00000
      3       4.3785      2.00000
      4       4.3809      2.00000
      5       5.6054      1.99705
      6       6.1538      1.47478
      7       7.7992      0.00000
      8      11.5722      0.00000
      9      11.5733      0.00000
     10      12.1699      0.00000
     11      12.8587      0.00000
     12      12.9953      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5634      2.00000
      3       3.8387      2.00000
      4       4.4280      2.00000
      5       5.9306      1.92638
      6       6.5076      0.15099
      7       7.9525      0.00000
      8      10.8367      0.00000
      9      11.4791      0.00000
     10      11.8536      0.00000
     11      12.3625      0.00000
     12      12.8462      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6475      2.00000
      3       3.8795      2.00000
      4       4.5748      2.00000
      5       6.1411      1.52242
      6       7.1343      0.00031
      7       8.6222      0.00000
      8       9.8285      0.00000
      9      10.5025      0.00000
     10      11.7932      0.00000
     11      11.8384      0.00000
     12      12.8751      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1367      2.00000
      2       1.6626      2.00000
      3       4.1139      2.00000
      4       4.8180      2.00000
      5       6.3851      0.43485
      6       7.4364      0.00002
      7       8.8235      0.00000
      8       9.4718      0.00000
      9       9.9052      0.00000
     10      10.9706      0.00000
     11      12.0607      0.00000
     12      12.5079      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8081      2.00000
      2       0.7605      2.00000
      3       4.4433      2.00000
      4       5.1541      1.99997
      5       6.6738      0.03050
      6       7.5843      0.00000
      7       8.0349      0.00000
      8       8.5386      0.00000
      9      10.1166      0.00000
     10      11.3465      0.00000
     11      12.1075      0.00000
     12      12.3884      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4175      2.00000
      2      -0.0168      2.00000
      3       4.8480      2.00000
      4       5.5703      1.99792
      5       6.7475      0.01472
      6       7.4425      0.00001
      7       7.7243      0.00000
      8       7.8886      0.00000
      9       9.3415      0.00000
     10      11.6118      0.00000
     11      12.7633      0.00000
     12      13.0919      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0645      2.00000
      2      -0.5643      2.00000
      3       5.2495      1.99992
      4       5.9950      1.86434
      5       6.3332      0.63656
      6       7.0939      0.00046
      7       7.6150      0.00000
      8       8.1161      0.00000
      9       8.6720      0.00000
     10      11.4388      0.00000
     11      13.1069      0.00000
     12      14.1380      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6111      2.00000
      3       4.5252      2.00000
      4       4.5276      2.00000
      5       5.7637      1.98571
      6       6.7583      0.01322
      7       8.5684      0.00000
      8      10.4563      0.00000
      9      10.4571      0.00000
     10      11.4066      0.00000
     11      12.8108      0.00000
     12      13.0019      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6438      2.00000
      3       3.8837      2.00000
      4       4.5747      2.00000
      5       6.1437      1.51310
      6       7.1348      0.00031
      7       8.6177      0.00000
      8       9.8291      0.00000
      9      10.4983      0.00000
     10      11.7641      0.00000
     11      11.8736      0.00000
     12      12.8808      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5814      2.00000
      3       3.0713      2.00000
      4       4.7214      2.00000
      5       6.4050      0.37104
      6       8.0497      0.00000
      7       8.6527      0.00000
      8       9.1576      0.00000
      9      10.4995      0.00000
     10      10.8432      0.00000
     11      11.8448      0.00000
     12      12.6311      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7723      2.00000
      3       3.1257      2.00000
      4       4.9645      2.00000
      5       6.5635      0.08920
      6       7.9152      0.00000
      7       8.5959      0.00000
      8       9.6090      0.00000
      9      10.0320      0.00000
     10      10.9281      0.00000
     11      11.3311      0.00000
     12      12.6346      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6585      2.00000
      2       0.8874      2.00000
      3       3.4288      2.00000
      4       5.3004      1.99986
      5       6.4550      0.24274
      6       7.4640      0.00001
      7       8.6823      0.00000
      8       8.8197      0.00000
      9      10.6479      0.00000
     10      11.2422      0.00000
     11      11.4994      0.00000
     12      12.5235      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2653      2.00000
      2       0.1128      2.00000
      3       3.8135      2.00000
      4       5.7163      1.99107
      5       5.9124      1.93828
      6       7.5718      0.00000
      7       7.8715      0.00000
      8       8.9546      0.00000
      9      10.1153      0.00000
     10      11.6255      0.00000
     11      12.2044      0.00000
     12      12.8459      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9072      2.00000
      2      -0.4379      2.00000
      3       4.1829      2.00000
      4       5.4015      1.99962
      5       6.1403      1.52526
      6       7.2405      0.00011
      7       7.7974      0.00000
      8       8.9577      0.00000
      9       9.8249      0.00000
     10      11.9603      0.00000
     11      12.0000      0.00000
     12      13.3924      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6183      2.00000
      3       4.7683      2.00000
      4       4.7707      2.00000
      5       6.0264      1.81885
      6       7.0428      0.00077
      7       9.4192      0.00000
      8       9.4218      0.00000
      9       9.8382      0.00000
     10      10.5269      0.00000
     11      12.3285      0.00000
     12      13.2347      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6596      2.00000
      3       4.1181      2.00000
      4       4.8179      2.00000
      5       6.3877      0.42631
      6       7.4384      0.00001
      7       8.8238      0.00000
      8       9.4673      0.00000
      9       9.8986      0.00000
     10      10.9698      0.00000
     11      12.0722      0.00000
     12      12.5072      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9887      2.00000
      2       1.7696      2.00000
      3       3.1289      2.00000
      4       4.9645      2.00000
      5       6.5638      0.08894
      6       7.9170      0.00000
      7       8.5986      0.00000
      8       9.6047      0.00000
      9      10.0262      0.00000
     10      10.9289      0.00000
     11      11.3359      0.00000
     12      12.6390      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7605      2.00000
      3       2.3761      2.00000
      4       5.2074      1.99994
      5       6.3564      0.54049
      6       7.4597      0.00001
      7       9.7122      0.00000
      8       9.7417      0.00000
      9      10.0197      0.00000
     10      10.3529      0.00000
     11      11.2930      0.00000
     12      12.4462      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0760      2.00000
      3       2.4674      2.00000
      4       5.5429      1.99842
      5       5.7112      1.99151
      6       7.5379      0.00001
      7       8.9162      0.00000
      8      10.0102      0.00000
      9      10.2080      0.00000
     10      11.0916      0.00000
     11      11.4326      0.00000
     12      12.6284      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2       0.3206      2.00000
      3       2.8121      2.00000
      4       5.0232      1.99999
      5       5.9583      1.90400
      6       7.8014      0.00000
      7       8.1118      0.00000
      8       9.7686      0.00000
      9      10.5920      0.00000
     10      11.1164      0.00000
     11      12.1632      0.00000
     12      12.9178      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6464      2.00000
      2      -0.2338      2.00000
      3       3.1460      2.00000
      4       4.5128      2.00000
      5       6.3815      0.44734
      6       7.4818      0.00001
      7       8.0579      0.00000
      8       9.4641      0.00000
      9      10.9527      0.00000
     10      11.2488      0.00000
     11      12.3464      0.00000
     12      12.4910      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7147      2.00000
      3       5.1043      1.99998
      4       5.1066      1.99998
      5       6.3917      0.41285
      6       7.2172      0.00014
      7       8.4860      0.00000
      8       8.4876      0.00000
      9       9.6545      0.00000
     10      11.2255      0.00000
     11      12.0127      0.00000
     12      13.5433      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       0.7583      2.00000
      3       4.4471      2.00000
      4       5.1539      1.99997
      5       6.6757      0.02994
      6       7.5884      0.00000
      7       8.0346      0.00000
      8       8.5345      0.00000
      9      10.1179      0.00000
     10      11.3381      0.00000
     11      12.1167      0.00000
     12      12.3895      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6591      2.00000
      2       0.8854      2.00000
      3       3.4318      2.00000
      4       5.3003      1.99986
      5       6.4560      0.24057
      6       7.4647      0.00001
      7       8.6783      0.00000
      8       8.8233      0.00000
      9      10.6454      0.00000
     10      11.2520      0.00000
     11      11.4930      0.00000
     12      12.5290      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4125      2.00000
      2       1.0743      2.00000
      3       2.4695      2.00000
      4       5.5428      1.99842
      5       5.7120      1.99145
      6       7.5376      0.00001
      7       8.9122      0.00000
      8      10.0132      0.00000
      9      10.2111      0.00000
     10      11.0967      0.00000
     11      11.4287      0.00000
     12      12.6268      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0756      2.00000
      2       1.1351      2.00000
      3       1.7989      2.00000
      4       4.9120      2.00000
      5       5.8780      1.95585
      6       7.7942      0.00000
      7       9.1255      0.00000
      8       9.3923      0.00000
      9      10.4711      0.00000
     10      11.3174      0.00000
     11      11.9533      0.00000
     12      12.7756      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6692      2.00000
      2       0.5803      2.00000
      3       1.9143      2.00000
      4       4.2061      2.00000
      5       6.2928      0.82305
      6       8.1150      0.00000
      7       8.4378      0.00000
      8       9.6642      0.00000
      9      10.1308      0.00000
     10      11.5155      0.00000
     11      11.9884      0.00000
     12      12.4971      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2852      2.00000
      2       0.0333      2.00000
      3       2.1914      2.00000
      4       3.7181      2.00000
      5       6.7156      0.02019
      6       7.8103      0.00000
      7       8.4109      0.00000
      8       9.7630      0.00000
      9      10.0268      0.00000
     10      11.4219      0.00000
     11      11.6700      0.00000
     12      12.7869      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4697      2.00000
      2      -0.0622      2.00000
      3       5.5207      1.99873
      4       5.5227      1.99871
      5       6.8560      0.00500
      6       7.3415      0.00004
      7       7.6714      0.00000
      8       7.6717      0.00000
      9       8.8374      0.00000
     10      11.4230      0.00000
     11      13.1302      0.00000
     12      13.8901      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0183      2.00000
      3       4.8512      2.00000
      4       5.5702      1.99792
      5       6.7501      0.01434
      6       7.4454      0.00001
      7       7.7194      0.00000
      8       7.8893      0.00000
      9       9.3446      0.00000
     10      11.6154      0.00000
     11      12.7694      0.00000
     12      13.0849      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2664      2.00000
      2       0.1115      2.00000
      3       3.8160      2.00000
      4       5.7162      1.99108
      5       5.9148      1.93682
      6       7.5718      0.00000
      7       7.8660      0.00000
      8       8.9581      0.00000
      9      10.1178      0.00000
     10      11.6351      0.00000
     11      12.2095      0.00000
     12      12.8420      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2       0.3195      2.00000
      3       2.8138      2.00000
      4       5.0249      1.99999
      5       5.9583      1.90402
      6       7.8017      0.00000
      7       8.1058      0.00000
      8       9.7707      0.00000
      9      10.5940      0.00000
     10      11.1265      0.00000
     11      12.1649      0.00000
     12      12.9250      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6698      2.00000
      2       0.5797      2.00000
      3       1.9152      2.00000
      4       4.2069      2.00000
      5       6.2929      0.82281
      6       8.1164      0.00000
      7       8.4307      0.00000
      8       9.6682      0.00000
      9      10.1337      0.00000
     10      11.5147      0.00000
     11      11.9896      0.00000
     12      12.5043      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2482      2.00000
      2       0.7148      2.00000
      3       1.2955      2.00000
      4       3.5181      2.00000
      5       6.7076      0.02185
      6       8.4847      0.00000
      7       8.7420      0.00000
      8       8.9484      0.00000
      9      10.1833      0.00000
     10      11.0375      0.00000
     11      11.1922      0.00000
     12      13.5191      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8334      2.00000
      2       0.3249      2.00000
      3       1.3431      2.00000
      4       3.0671      2.00000
      5       7.1326      0.00032
      6       8.2022      0.00000
      7       8.8493      0.00000
      8       9.2149      0.00000
      9       9.9431      0.00000
     10      10.6224      0.00000
     11      10.8986      0.00000
     12      13.4370      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1191      2.00000
      2      -0.6075      2.00000
      3       5.9461      1.91460
      4       5.9475      1.91339
      5       7.0379      0.00081
      6       7.0464      0.00075
      7       7.4125      0.00002
      8       7.4171      0.00002
      9       8.1044      0.00000
     10      11.2709      0.00000
     11      14.1661      0.00000
     12      14.5297      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0665      2.00000
      2      -0.5648      2.00000
      3       5.2516      1.99991
      4       5.9954      1.86379
      5       6.3381      0.61567
      6       7.0909      0.00048
      7       7.6095      0.00000
      8       8.1204      0.00000
      9       8.6765      0.00000
     10      11.4433      0.00000
     11      13.1143      0.00000
     12      14.1396      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9091      2.00000
      2      -0.4383      2.00000
      3       4.1845      2.00000
      4       5.4051      1.99960
      5       6.1408      1.52353
      6       7.2377      0.00011
      7       7.7919      0.00000
      8       8.9619      0.00000
      9       9.8294      0.00000
     10      11.9809      0.00000
     11      11.9964      0.00000
     12      13.3916      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6480      2.00000
      2      -0.2340      2.00000
      3       3.1470      2.00000
      4       4.5154      2.00000
      5       6.3820      0.44546
      6       7.4795      0.00001
      7       8.0519      0.00000
      8       9.4679      0.00000
      9      10.9511      0.00000
     10      11.2639      0.00000
     11      12.3567      0.00000
     12      12.4887      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0336      2.00000
      3       2.1917      2.00000
      4       3.7197      2.00000
      5       6.7162      0.02007
      6       7.8089      0.00000
      7       8.4037      0.00000
      8       9.7664      0.00000
      9      10.0341      0.00000
     10      11.4195      0.00000
     11      11.6709      0.00000
     12      12.7948      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8343      2.00000
      2       0.3257      2.00000
      3       1.3428      2.00000
      4       3.0679      2.00000
      5       7.1330      0.00031
      6       8.2023      0.00000
      7       8.8325      0.00000
      8       9.2304      0.00000
      9       9.9483      0.00000
     10      10.6171      0.00000
     11      10.8995      0.00000
     12      13.4389      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3487      2.00000
      2       0.5038      2.00000
      3       0.7056      2.00000
      4       2.6612      2.00000
      5       7.5703      0.00000
      6       8.5290      0.00000
      7       8.6096      0.00000
      8       9.3221      0.00000
      9       9.9981      0.00000
     10      10.0641      0.00000
     11      10.2868      0.00000
     12      13.3318      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3790      2.00000
      2       2.6435      2.00000
      3       3.8816      2.00000
      4       4.5765      2.00000
      5       6.1493      1.49189
      6       7.1295      0.00033
      7       8.6169      0.00000
      8       9.8288      0.00000
      9      10.4975      0.00000
     10      11.7951      0.00000
     11      11.8448      0.00000
     12      12.8846      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6794      2.00000
      3       3.7678      2.00000
      4       4.1245      2.00000
      5       6.7062      0.02217
      6       7.2980      0.00006
      7       8.6617      0.00000
      8       9.6989      0.00000
      9      10.0544      0.00000
     10      11.1933      0.00000
     11      12.2611      0.00000
     12      13.2350      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6327      2.00000
      3       3.0701      2.00000
      4       4.1455      2.00000
      5       7.0852      0.00051
      6       8.0910      0.00000
      7       8.7017      0.00000
      8       9.0971      0.00000
      9       9.8224      0.00000
     10      10.4913      0.00000
     11      12.4843      0.00000
     12      13.1060      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8171      2.00000
      3       3.1479      2.00000
      4       4.3615      2.00000
      5       7.1840      0.00019
      6       8.0208      0.00000
      7       8.5013      0.00000
      8       9.1930      0.00000
      9       9.9016      0.00000
     10      10.6050      0.00000
     11      11.9345      0.00000
     12      13.1282      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6084      2.00000
      2       0.9324      2.00000
      3       3.4595      2.00000
      4       4.6653      2.00000
      5       6.7370      0.01633
      6       7.8557      0.00000
      7       8.0836      0.00000
      8       9.1139      0.00000
      9      10.5287      0.00000
     10      11.1492      0.00000
     11      11.7028      0.00000
     12      12.8190      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2143      2.00000
      2       0.1575      2.00000
      3       3.8519      2.00000
      4       5.0228      1.99999
      5       6.0462      1.78348
      6       7.3010      0.00006
      7       8.2582      0.00000
      8       9.2730      0.00000
      9      10.4496      0.00000
     10      10.9430      0.00000
     11      12.3310      0.00000
     12      13.1530      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8547      2.00000
      2      -0.3944      2.00000
      3       4.2302      2.00000
      4       5.2814      1.99988
      5       5.5657      1.99801
      6       6.8034      0.00844
      7       8.5624      0.00000
      8       9.4163      0.00000
      9       9.9390      0.00000
     10      11.2850      0.00000
     11      11.9720      0.00000
     12      13.0439      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1372      2.00000
      2       1.6595      2.00000
      3       4.1158      2.00000
      4       4.8196      2.00000
      5       6.3935      0.40688
      6       7.4323      0.00002
      7       8.8227      0.00000
      8       9.4687      0.00000
      9       9.8990      0.00000
     10      10.9729      0.00000
     11      12.0686      0.00000
     12      12.5047      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0874      2.00000
      2       1.7014      2.00000
      3       4.0196      2.00000
      4       4.3377      2.00000
      5       6.9485      0.00198
      6       7.5940      0.00000
      7       8.6972      0.00000
      8       9.0936      0.00000
      9       9.9690      0.00000
     10      11.3507      0.00000
     11      11.4547      0.00000
     12      12.7739      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8143      2.00000
      3       3.1512      2.00000
      4       4.3613      2.00000
      5       7.1849      0.00019
      6       8.0227      0.00000
      7       8.5017      0.00000
      8       9.1902      0.00000
      9       9.9009      0.00000
     10      10.6040      0.00000
     11      11.9358      0.00000
     12      13.1349      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8124      2.00000
      3       2.4041      2.00000
      4       4.5743      2.00000
      5       6.6588      0.03537
      6       7.9112      0.00000
      7       8.9612      0.00000
      8       9.4158      0.00000
      9       9.9117      0.00000
     10      10.6826      0.00000
     11      11.9741      0.00000
     12      12.8208      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1234      2.00000
      3       2.5053      2.00000
      4       4.8521      2.00000
      5       5.9055      1.94224
      6       8.0841      0.00000
      7       8.3622      0.00000
      8       9.6006      0.00000
      9      10.3437      0.00000
     10      11.5383      0.00000
     11      11.7856      0.00000
     12      12.8210      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9630      2.00000
      2       0.3667      2.00000
      3       2.8555      2.00000
      4       4.9209      2.00000
      5       5.4889      1.99908
      6       7.5290      0.00001
      7       8.5236      0.00000
      8       9.9308      0.00000
      9      10.3436      0.00000
     10      11.2515      0.00000
     11      12.3438      0.00000
     12      12.8036      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5940      2.00000
      2      -0.1892      2.00000
      3       3.1952      2.00000
      4       4.5133      2.00000
      5       5.7236      1.99040
      6       6.9998      0.00119
      7       8.8230      0.00000
      8       9.9935      0.00000
      9      10.3139      0.00000
     10      11.2897      0.00000
     11      11.8050      0.00000
     12      13.0926      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7582      2.00000
      3       4.4447      2.00000
      4       5.1554      1.99997
      5       6.6822      0.02810
      6       7.5791      0.00000
      7       8.0371      0.00000
      8       8.5358      0.00000
      9      10.1196      0.00000
     10      11.3374      0.00000
     11      12.1158      0.00000
     12      12.3860      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7587      2.00000
      2       0.8021      2.00000
      3       4.3695      2.00000
      4       4.6352      2.00000
      5       7.2184      0.00013
      6       7.6020      0.00000
      7       7.8488      0.00000
      8       8.4795      0.00000
      9      10.5649      0.00000
     10      11.3342      0.00000
     11      11.6514      0.00000
     12      12.4228      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9303      2.00000
      3       3.4627      2.00000
      4       4.6648      2.00000
      5       6.7389      0.01602
      6       7.8552      0.00000
      7       8.0817      0.00000
      8       9.1166      0.00000
      9      10.5303      0.00000
     10      11.1518      0.00000
     11      11.6975      0.00000
     12      12.8254      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3622      2.00000
      2       1.1218      2.00000
      3       2.5074      2.00000
      4       4.8519      2.00000
      5       5.9064      1.94177
      6       8.0844      0.00000
      7       8.3580      0.00000
      8       9.6042      0.00000
      9      10.3479      0.00000
     10      11.5374      0.00000
     11      11.7839      0.00000
     12      12.8205      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0251      2.00000
      2       1.1873      2.00000
      3       1.8363      2.00000
      4       4.8110      2.00000
      5       5.4350      1.99946
      6       8.3613      0.00000
      7       8.4693      0.00000
      8       8.9547      0.00000
      9      11.1889      0.00000
     10      11.8069      0.00000
     11      12.0398      0.00000
     12      12.1534      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6182      2.00000
      2       0.6289      2.00000
      3       1.9588      2.00000
      4       4.2133      2.00000
      5       5.7021      1.99225
      6       7.8206      0.00000
      7       8.8224      0.00000
      8       9.0851      0.00000
      9      10.8175      0.00000
     10      11.4672      0.00000
     11      12.1817      0.00000
     12      12.6134      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2330      2.00000
      2       0.0798      2.00000
      3       2.2415      2.00000
      4       3.7356      2.00000
      5       6.0552      1.76539
      6       7.2811      0.00007
      7       9.1589      0.00000
      8       9.3737      0.00000
      9      10.3032      0.00000
     10      11.0895      0.00000
     11      12.4041      0.00000
     12      12.8557      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0183      2.00000
      3       4.8490      2.00000
      4       5.5715      1.99790
      5       6.7513      0.01417
      6       7.4487      0.00001
      7       7.7202      0.00000
      8       7.8865      0.00000
      9       9.3441      0.00000
     10      11.6139      0.00000
     11      12.7663      0.00000
     12      13.0857      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3678      2.00000
      2       0.0258      2.00000
      3       4.8102      2.00000
      4       4.9857      1.99999
      5       6.8229      0.00695
      6       7.2128      0.00014
      7       7.8665      0.00000
      8       8.3001      0.00000
      9       9.7578      0.00000
     10      11.6918      0.00000
     11      12.0898      0.00000
     12      13.2301      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2155      2.00000
      2       0.1562      2.00000
      3       3.8545      2.00000
      4       5.0223      1.99999
      5       6.0488      1.77833
      6       7.2984      0.00006
      7       8.2564      0.00000
      8       9.2762      0.00000
      9      10.4479      0.00000
     10      10.9541      0.00000
     11      12.3374      0.00000
     12      13.1466      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9639      2.00000
      2       0.3656      2.00000
      3       2.8572      2.00000
      4       4.9220      2.00000
      5       5.4892      1.99907
      6       7.5270      0.00001
      7       8.5201      0.00000
      8       9.9342      0.00000
      9      10.3466      0.00000
     10      11.2591      0.00000
     11      12.3458      0.00000
     12      12.8054      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6187      2.00000
      2       0.6283      2.00000
      3       1.9597      2.00000
      4       4.2142      2.00000
      5       5.7020      1.99226
      6       7.8195      0.00000
      7       8.8117      0.00000
      8       9.0960      0.00000
      9      10.8208      0.00000
     10      11.4654      0.00000
     11      12.1827      0.00000
     12      12.6200      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.1969      2.00000
      2       0.7672      2.00000
      3       1.3397      2.00000
      4       3.5391      2.00000
      5       6.0851      1.69612
      6       8.0136      0.00000
      7       8.4362      0.00000
      8       9.2161      0.00000
      9      10.6899      0.00000
     10      10.9833      0.00000
     11      11.7551      0.00000
     12      13.9213      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7813      2.00000
      2       0.3743      2.00000
      3       1.3938      2.00000
      4       3.0887      2.00000
      5       6.4756      0.20213
      6       7.6012      0.00000
      7       8.5589      0.00000
      8       9.5829      0.00000
      9      10.1406      0.00000
     10      10.7978      0.00000
     11      11.6489      0.00000
     12      13.8542      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5649      2.00000
      3       5.2497      1.99992
      4       5.9960      1.86308
      5       6.3349      0.62928
      6       7.0955      0.00046
      7       7.6180      0.00000
      8       8.1164      0.00000
      9       8.6726      0.00000
     10      11.4422      0.00000
     11      13.1113      0.00000
     12      14.1473      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2      -0.5220      2.00000
      3       5.2786      1.99989
      4       5.3091      1.99985
      5       6.1700      1.40964
      6       6.7909      0.00956
      7       8.3166      0.00000
      8       8.3848      0.00000
      9       9.0299      0.00000
     10      11.5677      0.00000
     11      12.3740      0.00000
     12      13.8851      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8566      2.00000
      2      -0.3948      2.00000
      3       4.2317      2.00000
      4       5.2834      1.99988
      5       5.5668      1.99799
      6       6.8011      0.00864
      7       8.5579      0.00000
      8       9.4201      0.00000
      9       9.9426      0.00000
     10      11.2933      0.00000
     11      11.9817      0.00000
     12      13.0372      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.5957      2.00000
      2      -0.1893      2.00000
      3       3.1962      2.00000
      4       4.5159      2.00000
      5       5.7234      1.99042
      6       6.9977      0.00121
      7       8.8169      0.00000
      8       9.9967      0.00000
      9      10.3195      0.00000
     10      11.2981      0.00000
     11      11.8085      0.00000
     12      13.0942      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2343      2.00000
      2       0.0801      2.00000
      3       2.2418      2.00000
      4       3.7373      2.00000
      5       6.0551      1.76566
      6       7.2796      0.00007
      7       9.1354      0.00000
      8       9.3973      0.00000
      9      10.3092      0.00000
     10      11.0859      0.00000
     11      12.4044      0.00000
     12      12.8643      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7822      2.00000
      2       0.3751      2.00000
      3       1.3934      2.00000
      4       3.0895      2.00000
      5       6.4756      0.20218
      6       7.6006      0.00000
      7       8.5561      0.00000
      8       9.5857      0.00000
      9      10.1447      0.00000
     10      10.7938      0.00000
     11      11.6497      0.00000
     12      13.8563      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.2967      2.00000
      2       0.5562      2.00000
      3       0.7566      2.00000
      4       2.6821      2.00000
      5       6.9202      0.00263
      6       7.8178      0.00000
      7       7.9637      0.00000
      8       9.7148      0.00000
      9      10.0882      0.00000
     10      10.8078      0.00000
     11      11.0564      0.00000
     12      13.7145      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7690      2.00000
      3       3.1271      2.00000
      4       4.9660      2.00000
      5       6.5712      0.08284
      6       7.9133      0.00000
      7       8.5931      0.00000
      8       9.6050      0.00000
      9      10.0270      0.00000
     10      10.9346      0.00000
     11      11.3352      0.00000
     12      12.6431      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9391      2.00000
      2       1.8138      2.00000
      3       3.1496      2.00000
      4       4.3634      2.00000
      5       7.1901      0.00018
      6       8.0208      0.00000
      7       8.4981      0.00000
      8       9.1892      0.00000
      9       9.9017      0.00000
     10      10.6050      0.00000
     11      11.9389      0.00000
     12      13.1368      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7904      2.00000
      2       1.9384      2.00000
      3       3.0452      2.00000
      4       3.6101      2.00000
      5       7.6287      0.00000
      6       7.9957      0.00000
      7       8.6166      0.00000
      8       9.0862      0.00000
      9       9.3076      0.00000
     10      10.5952      0.00000
     11      12.7765      0.00000
     12      13.6501      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5455      2.00000
      2       1.9676      2.00000
      3       2.4556      2.00000
      4       3.6322      2.00000
      5       6.8636      0.00463
      6       7.9171      0.00000
      7       8.5396      0.00000
      8       9.1009      0.00000
      9      10.0715      0.00000
     10      10.9322      0.00000
     11      13.0320      0.00000
     12      13.1092      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2117      2.00000
      2       1.2634      2.00000
      3       2.6054      2.00000
      4       3.8889      2.00000
      5       6.0109      1.84286
      6       7.3198      0.00005
      7       8.6478      0.00000
      8       9.4151      0.00000
      9      10.6290      0.00000
     10      11.8682      0.00000
     11      12.3479      0.00000
     12      12.6922      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8107      2.00000
      2       0.5034      2.00000
      3       2.9787      2.00000
      4       4.1980      2.00000
      5       5.2607      1.99991
      6       6.6668      0.03267
      7       8.9718      0.00000
      8       9.7740      0.00000
      9      10.8989      0.00000
     10      11.3823      0.00000
     11      12.0362      0.00000
     12      13.5851      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4372      2.00000
      2      -0.0566      2.00000
      3       3.3411      2.00000
      4       4.4065      2.00000
      5       4.7656      2.00000
      6       6.2244      1.16183
      7       9.2546      0.00000
      8      10.1349      0.00000
      9      10.8035      0.00000
     10      11.1140      0.00000
     11      11.5724      0.00000
     12      13.5032      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8851      2.00000
      3       3.4298      2.00000
      4       5.3017      1.99986
      5       6.4579      0.23661
      6       7.4689      0.00001
      7       8.6794      0.00000
      8       8.8172      0.00000
      9      10.6518      0.00000
     10      11.2475      0.00000
     11      11.4936      0.00000
     12      12.5255      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6091      2.00000
      2       0.9301      2.00000
      3       3.4607      2.00000
      4       4.6669      2.00000
      5       6.7375      0.01625
      6       7.8665      0.00000
      7       8.0772      0.00000
      8       9.1108      0.00000
      9      10.5321      0.00000
     10      11.1547      0.00000
     11      11.6955      0.00000
     12      12.8211      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4592      2.00000
      2       1.0618      2.00000
      3       3.4014      2.00000
      4       3.8500      2.00000
      5       6.7337      0.01689
      6       7.3068      0.00006
      7       8.9226      0.00000
      8       9.3976      0.00000
      9       9.6718      0.00000
     10      11.8270      0.00000
     11      12.0313      0.00000
     12      12.9290      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2120      2.00000
      2       1.2616      2.00000
      3       2.6078      2.00000
      4       3.8885      2.00000
      5       6.0119      1.84135
      6       7.3174      0.00005
      7       8.6487      0.00000
      8       9.4170      0.00000
      9      10.6341      0.00000
     10      11.8624      0.00000
     11      12.3497      0.00000
     12      12.6910      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       1.3435      2.00000
      3       1.9427      2.00000
      4       4.1195      2.00000
      5       5.2389      1.99992
      6       7.3387      0.00004
      7       8.0489      0.00000
      8       9.7313      0.00000
      9      11.2765      0.00000
     10      11.8866      0.00000
     11      12.5399      0.00000
     12      12.7938      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4656      2.00000
      2       0.7734      2.00000
      3       2.0900      2.00000
      4       4.1377      2.00000
      5       4.8454      2.00000
      6       6.8537      0.00511
      7       8.1222      0.00000
      8      10.0381      0.00000
      9      10.6837      0.00000
     10      12.0019      0.00000
     11      12.8470      0.00000
     12      13.3136      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0766      2.00000
      2       0.2182      2.00000
      3       2.3911      2.00000
      4       3.7741      2.00000
      5       5.0141      1.99999
      6       6.3874      0.42712
      7       8.3413      0.00000
      8      10.0570      0.00000
      9      10.5412      0.00000
     10      11.6792      0.00000
     11      13.0076      0.00000
     12      13.6654      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1113      2.00000
      3       3.8139      2.00000
      4       5.7173      1.99098
      5       5.9128      1.93801
      6       7.5831      0.00000
      7       7.8657      0.00000
      8       8.9545      0.00000
      9      10.1168      0.00000
     10      11.6322      0.00000
     11      12.2046      0.00000
     12      12.8470      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2156      2.00000
      2       0.1561      2.00000
      3       3.8526      2.00000
      4       5.0242      1.99999
      5       6.0464      1.78299
      6       7.3024      0.00006
      7       8.2625      0.00000
      8       9.2704      0.00000
      9      10.4497      0.00000
     10      10.9525      0.00000
     11      12.3337      0.00000
     12      13.1464      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0633      2.00000
      2       0.2888      2.00000
      3       3.8524      2.00000
      4       4.1388      2.00000
      5       5.9003      1.94510
      6       6.6903      0.02593
      7       9.3564      0.00000
      8       9.6923      0.00000
      9       9.9462      0.00000
     10      11.2606      0.00000
     11      12.1561      0.00000
     12      12.9785      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8116      2.00000
      2       0.5024      2.00000
      3       2.9806      2.00000
      4       4.1976      2.00000
      5       5.2624      1.99990
      6       6.6647      0.03339
      7       8.9710      0.00000
      8       9.7765      0.00000
      9      10.9044      0.00000
     10      11.3854      0.00000
     11      12.0378      0.00000
     12      13.5787      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4662      2.00000
      2       0.7728      2.00000
      3       2.0909      2.00000
      4       4.1382      2.00000
      5       4.8456      2.00000
      6       6.8522      0.00519
      7       8.1230      0.00000
      8      10.0385      0.00000
      9      10.6854      0.00000
     10      12.0028      0.00000
     11      12.8504      0.00000
     12      13.3152      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0435      2.00000
      2       0.9239      2.00000
      3       1.4703      2.00000
      4       3.5892      2.00000
      5       5.0886      1.99998
      6       6.9433      0.00209
      7       7.5407      0.00001
      8       9.8478      0.00000
      9      10.6270      0.00000
     10      12.2775      0.00000
     11      12.9047      0.00000
     12      14.0777      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6254      2.00000
      2       0.5215      2.00000
      3       1.5450      2.00000
      4       3.1490      2.00000
      5       5.4303      1.99949
      6       6.6107      0.05660
      7       7.5320      0.00001
      8       9.4947      0.00000
      9      10.9396      0.00000
     10      11.9974      0.00000
     11      12.9250      0.00000
     12      14.5569      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9093      2.00000
      2      -0.4385      2.00000
      3       4.1827      2.00000
      4       5.4022      1.99961
      5       6.1411      1.52236
      6       7.2422      0.00011
      7       7.8013      0.00000
      8       8.9629      0.00000
      9       9.8210      0.00000
     10      11.9833      0.00000
     11      11.9872      0.00000
     12      13.4037      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8568      2.00000
      2      -0.3950      2.00000
      3       4.2300      2.00000
      4       5.2827      1.99988
      5       5.5666      1.99800
      6       6.8044      0.00836
      7       8.5665      0.00000
      8       9.4188      0.00000
      9       9.9360      0.00000
     10      11.2930      0.00000
     11      11.9794      0.00000
     12      13.0365      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.6996      2.00000
      2      -0.2658      2.00000
      3       4.3507      2.00000
      4       4.3816      2.00000
      5       5.1956      1.99995
      6       6.2910      0.83180
      7       9.8171      0.00000
      8       9.8879      0.00000
      9      10.2775      0.00000
     10      10.5657      0.00000
     11      11.5944      0.00000
     12      12.9145      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4390      2.00000
      2      -0.0567      2.00000
      3       3.3421      2.00000
      4       4.4080      2.00000
      5       4.7661      2.00000
      6       6.2226      1.17058
      7       9.2515      0.00000
      8      10.1383      0.00000
      9      10.8094      0.00000
     10      11.1162      0.00000
     11      11.5775      0.00000
     12      13.5038      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0780      2.00000
      2       0.2185      2.00000
      3       2.3913      2.00000
      4       3.7759      2.00000
      5       5.0138      1.99999
      6       6.3859      0.43221
      7       8.3412      0.00000
      8      10.0596      0.00000
      9      10.5422      0.00000
     10      11.6789      0.00000
     11      13.0133      0.00000
     12      13.6684      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6263      2.00000
      2       0.5224      2.00000
      3       1.5446      2.00000
      4       3.1498      2.00000
      5       5.4302      1.99949
      6       6.6098      0.05709
      7       7.5323      0.00001
      8       9.4958      0.00000
      9      10.9398      0.00000
     10      11.9966      0.00000
     11      12.9257      0.00000
     12      14.5639      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1408      2.00000
      2       0.7132      2.00000
      3       0.9091      2.00000
      4       2.7419      2.00000
      5       5.8765      1.95647
      6       6.7442      0.01521
      7       6.9302      0.00238
      8       9.1431      0.00000
      9      11.3854      0.00000
     10      12.1311      0.00000
     11      12.3491      0.00000
     12      14.6302      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4129      2.00000
      2       1.0734      2.00000
      3       2.4684      2.00000
      4       5.5439      1.99840
      5       5.7109      1.99154
      6       7.5463      0.00001
      7       8.9121      0.00000
      8      10.0082      0.00000
      9      10.2142      0.00000
     10      11.0899      0.00000
     11      11.4382      0.00000
     12      12.6300      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3626      2.00000
      2       1.1209      2.00000
      3       2.5064      2.00000
      4       4.8537      2.00000
      5       5.9047      1.94273
      6       8.0979      0.00000
      7       8.3535      0.00000
      8       9.6052      0.00000
      9      10.3405      0.00000
     10      11.5419      0.00000
     11      11.7843      0.00000
     12      12.8262      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2123      2.00000
      2       1.2610      2.00000
      3       2.6069      2.00000
      4       3.8901      2.00000
      5       6.0103      1.84367
      6       7.3195      0.00005
      7       8.6505      0.00000
      8       9.4222      0.00000
      9      10.6262      0.00000
     10      11.8638      0.00000
     11      12.3513      0.00000
     12      12.6928      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       1.4798      2.00000
      3       2.5877      2.00000
      4       3.1529      2.00000
      5       5.9554      1.90660
      6       6.5461      0.10529
      7       7.8208      0.00000
      8      10.6602      0.00000
      9      10.8631      0.00000
     10      11.3729      0.00000
     11      12.5412      0.00000
     12      13.5757      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6251      2.00000
      2       1.6029      2.00000
      3       2.0819      2.00000
      4       3.2282      2.00000
      5       5.3103      1.99985
      6       6.3080      0.75054
      7       7.2562      0.00009
      8      10.3465      0.00000
      9      11.2286      0.00000
     10      12.2132      0.00000
     11      13.0098      0.00000
     12      13.9533      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2134      2.00000
      2       1.0092      2.00000
      3       2.2952      2.00000
      4       3.5084      2.00000
      5       4.5835      2.00000
      6       5.9202      1.93343
      7       7.2064      0.00015
      8       9.7495      0.00000
      9      11.6142      0.00000
     10      12.7715      0.00000
     11      13.6223      0.00000
     12      14.2408      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8173      2.00000
      2       0.4439      2.00000
      3       2.6369      2.00000
      4       3.7127      2.00000
      5       4.0841      2.00000
      6       5.5513      1.99828
      7       7.3387      0.00004
      8       9.3705      0.00000
      9      11.9776      0.00000
     10      12.8742      0.00000
     11      13.3013      0.00000
     12      14.9032      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0154      2.00000
      2       0.3190      2.00000
      3       2.8125      2.00000
      4       5.0229      1.99999
      5       5.9590      1.90334
      6       7.8140      0.00000
      7       8.1050      0.00000
      8       9.7731      0.00000
      9      10.5973      0.00000
     10      11.1091      0.00000
     11      12.1788      0.00000
     12      12.9257      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       0.3652      2.00000
      3       2.8560      2.00000
      4       4.9214      2.00000
      5       5.4893      1.99907
      6       7.5309      0.00001
      7       8.5275      0.00000
      8       9.9343      0.00000
      9      10.3455      0.00000
     10      11.2531      0.00000
     11      12.3466      0.00000
     12      12.8113      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8119      2.00000
      2       0.5021      2.00000
      3       2.9796      2.00000
      4       4.1989      2.00000
      5       5.2608      1.99991
      6       6.6669      0.03267
      7       8.9736      0.00000
      8       9.7812      0.00000
      9      10.8973      0.00000
     10      11.3875      0.00000
     11      12.0379      0.00000
     12      13.5771      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5601      2.00000
      2       0.7236      2.00000
      3       3.0428      2.00000
      4       3.3930      2.00000
      5       5.1071      1.99998
      6       6.0272      1.81752
      7       8.0362      0.00000
      8      10.4489      0.00000
      9      11.1011      0.00000
     10      11.5079      0.00000
     11      12.9383      0.00000
     12      13.9323      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2140      2.00000
      2       1.0086      2.00000
      3       2.2964      2.00000
      4       3.5081      2.00000
      5       4.5845      2.00000
      6       5.9184      1.93455
      7       7.2079      0.00015
      8       9.7504      0.00000
      9      11.6147      0.00000
     10      12.7758      0.00000
     11      13.6234      0.00000
     12      14.2354      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7897      2.00000
      2       1.1843      2.00000
      3       1.6791      2.00000
      4       3.5572      2.00000
      5       4.2328      2.00000
      6       5.9072      1.94129
      7       6.6360      0.04420
      8       9.1725      0.00000
      9      12.0188      0.00000
     10      13.6317      0.00000
     11      14.1972      0.00000
     12      14.3579      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3668      2.00000
      2       0.7635      2.00000
      3       1.7949      2.00000
      4       3.2300      2.00000
      5       4.4141      2.00000
      6       5.6402      1.99582
      7       6.5257      0.12753
      8       8.8308      0.00000
      9      12.3993      0.00000
     10      13.3745      0.00000
     11      14.3270      0.00000
     12      14.8139      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6487      2.00000
      2      -0.2343      2.00000
      3       3.1459      2.00000
      4       4.5130      2.00000
      5       6.3819      0.44592
      6       7.4838      0.00001
      7       8.0618      0.00000
      8       9.4715      0.00000
      9      10.9585      0.00000
     10      11.2364      0.00000
     11      12.3634      0.00000
     12      12.4987      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.5962      2.00000
      2      -0.1896      2.00000
      3       3.1951      2.00000
      4       4.5136      2.00000
      5       5.7243      1.99033
      6       7.0013      0.00117
      7       8.8268      0.00000
      8      10.0006      0.00000
      9      10.3160      0.00000
     10      11.2876      0.00000
     11      11.8087      0.00000
     12      13.0922      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4393      2.00000
      2      -0.0569      2.00000
      3       3.3412      2.00000
      4       4.4074      2.00000
      5       4.7660      2.00000
      6       6.2248      1.15968
      7       9.2552      0.00000
      8      10.1413      0.00000
      9      10.8110      0.00000
     10      11.1145      0.00000
     11      11.5725      0.00000
     12      13.4991      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1792      2.00000
      2       0.1587      2.00000
      3       3.5540      2.00000
      4       3.5954      2.00000
      5       4.3921      2.00000
      6       5.6737      1.99416
      7       8.2594      0.00000
      8      10.0650      0.00000
      9      11.6028      0.00000
     10      11.6340      0.00000
     11      12.2905      0.00000
     12      14.0103      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8189      2.00000
      2       0.4443      2.00000
      3       2.6370      2.00000
      4       3.7137      2.00000
      5       4.0845      2.00000
      6       5.5496      1.99831
      7       7.3400      0.00004
      8       9.3721      0.00000
      9      11.9772      0.00000
     10      12.8766      0.00000
     11      13.3066      0.00000
     12      14.9071      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3678      2.00000
      2       0.7644      2.00000
      3       1.7944      2.00000
      4       3.2310      2.00000
      5       4.4140      2.00000
      6       5.6389      1.99587
      7       6.5267      0.12635
      8       8.8314      0.00000
      9      12.3990      0.00000
     10      13.3747      0.00000
     11      14.3270      0.00000
     12      14.8211      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1178      2.00000
      2       0.9740      2.00000
      3       1.1611      2.00000
      4       2.8317      2.00000
      5       4.8525      2.00000
      6       5.7057      1.99197
      7       5.9169      1.93549
      8       8.5234      0.00000
      9      12.8467      0.00000
     10      13.5729      0.00000
     11      13.7774      0.00000
     12      15.8040      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6708      2.00000
      2       0.5786      2.00000
      3       1.9150      2.00000
      4       4.2053      2.00000
      5       6.2930      0.82223
      6       8.1296      0.00000
      7       8.4288      0.00000
      8       9.6713      0.00000
      9      10.1365      0.00000
     10      11.5112      0.00000
     11      11.9919      0.00000
     12      12.5039      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6197      2.00000
      2       0.6272      2.00000
      3       1.9596      2.00000
      4       4.2128      2.00000
      5       5.7028      1.99220
      6       7.8229      0.00000
      7       8.8240      0.00000
      8       9.0923      0.00000
      9      10.8250      0.00000
     10      11.4651      0.00000
     11      12.1729      0.00000
     12      12.6287      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4669      2.00000
      2       0.7718      2.00000
      3       2.0909      2.00000
      4       4.1378      2.00000
      5       4.8454      2.00000
      6       6.8541      0.00509
      7       8.1258      0.00000
      8      10.0446      0.00000
      9      10.6862      0.00000
     10      12.0022      0.00000
     11      12.8374      0.00000
     12      13.3305      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2145      2.00000
      2       1.0079      2.00000
      3       2.2966      2.00000
      4       3.5084      2.00000
      5       4.5835      2.00000
      6       5.9195      1.93389
      7       7.2093      0.00015
      8       9.7514      0.00000
      9      11.6211      0.00000
     10      12.7670      0.00000
     11      13.6261      0.00000
     12      14.2378      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8671      2.00000
      2       1.3197      2.00000
      3       2.4238      2.00000
      4       2.8152      2.00000
      5       4.5011      2.00000
      6       5.2002      1.99995
      7       6.4052      0.37042
      8       9.0732      0.00000
      9      12.9917      0.00000
     10      13.3057      0.00000
     11      14.6474      0.00000
     12      14.6711      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4397      2.00000
      2       1.5462      2.00000
      3       1.9396      2.00000
      4       2.9889      2.00000
      5       4.0273      2.00000
      6       4.9526      2.00000
      7       5.8215      1.97465
      8       8.5463      0.00000
      9      13.5356      0.00000
     10      14.5152      0.00000
     11      15.1239      0.00000
     12      15.2188      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0084      2.00000
      2       1.0919      2.00000
      3       2.1379      2.00000
      4       3.2181      2.00000
      5       3.5682      2.00000
      6       4.7749      2.00000
      7       5.6004      1.99719
      8       8.2497      0.00000
      9      13.9399      0.00000
     10      14.7592      0.00000
     11      15.1582      0.00000
     12      15.7490      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2878      2.00000
      2       0.0329      2.00000
      3       2.1915      2.00000
      4       3.7178      2.00000
      5       6.7153      0.02026
      6       7.8129      0.00000
      7       8.4146      0.00000
      8       9.7718      0.00000
      9      10.0329      0.00000
     10      11.4225      0.00000
     11      11.6621      0.00000
     12      12.7995      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2355      2.00000
      2       0.0795      2.00000
      3       2.2417      2.00000
      4       3.7354      2.00000
      5       6.0554      1.76498
      6       7.2830      0.00007
      7       9.1594      0.00000
      8       9.3821      0.00000
      9      10.3132      0.00000
     10      11.0876      0.00000
     11      12.3859      0.00000
     12      12.8811      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0790      2.00000
      2       0.2180      2.00000
      3       2.3914      2.00000
      4       3.7743      2.00000
      5       5.0140      1.99999
      6       6.3885      0.42348
      7       8.3443      0.00000
      8      10.0618      0.00000
      9      10.5460      0.00000
     10      11.6831      0.00000
     11      12.9936      0.00000
     12      13.6875      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8195      2.00000
      2       0.4440      2.00000
      3       2.6375      2.00000
      4       3.7132      2.00000
      5       4.0838      2.00000
      6       5.5511      1.99828
      7       7.3413      0.00004
      8       9.3728      0.00000
      9      11.9835      0.00000
     10      12.8779      0.00000
     11      13.2986      0.00000
     12      14.9024      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4599      2.00000
      2       0.7462      2.00000
      3       2.9388      2.00000
      4       2.9978      2.00000
      5       3.7833      2.00000
      6       4.9663      2.00000
      7       6.4177      0.33419
      8       8.7339      0.00000
      9      13.4667      0.00000
     10      13.5729      0.00000
     11      14.1481      0.00000
     12      15.4881      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0095      2.00000
      2       1.0931      2.00000
      3       2.1371      2.00000
      4       3.2188      2.00000
      5       3.5688      2.00000
      6       4.7730      2.00000
      7       5.6019      1.99715
      8       8.2502      0.00000
      9      13.9394      0.00000
     10      14.7607      0.00000
     11      15.1625      0.00000
     12      15.7508      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4766      2.00000
      2       1.3365      2.00000
      3       1.5075      2.00000
      4       2.9335      2.00000
      5       3.9108      2.00000
      6       4.7492      2.00000
      7       4.9843      1.99999
      8       7.9841      0.00000
      9      14.3857      0.00000
     10      15.0553      0.00000
     11      15.2614      0.00000
     12      16.3983      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8367      2.00000
      2       0.3245      2.00000
      3       1.3442      2.00000
      4       3.0664      2.00000
      5       7.1305      0.00032
      6       8.2056      0.00000
      7       8.8525      0.00000
      8       9.2234      0.00000
      9       9.9524      0.00000
     10      10.6197      0.00000
     11      10.9005      0.00000
     12      13.4427      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7845      2.00000
      2       0.3739      2.00000
      3       1.3948      2.00000
      4       3.0880      2.00000
      5       6.4745      0.20412
      6       7.6035      0.00000
      7       8.5646      0.00000
      8       9.5876      0.00000
      9      10.1473      0.00000
     10      10.7973      0.00000
     11      11.6520      0.00000
     12      13.8602      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6284      2.00000
      2       0.5213      2.00000
      3       1.5462      2.00000
      4       3.1486      2.00000
      5       5.4293      1.99949
      6       6.6121      0.05584
      7       7.5368      0.00001
      8       9.4978      0.00000
      9      10.9437      0.00000
     10      12.0014      0.00000
     11      12.9274      0.00000
     12      14.5627      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3695      2.00000
      2       0.7636      2.00000
      3       1.7963      2.00000
      4       3.2300      2.00000
      5       4.4125      2.00000
      6       5.6405      1.99581
      7       6.5297      0.12282
      8       8.8326      0.00000
      9      12.4042      0.00000
     10      13.3798      0.00000
     11      14.3186      0.00000
     12      14.8307      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0106      2.00000
      2       1.0926      2.00000
      3       2.1396      2.00000
      4       3.2178      2.00000
      5       3.5668      2.00000
      6       4.7739      2.00000
      7       5.6036      1.99710
      8       8.2507      0.00000
      9      13.9460      0.00000
     10      14.7633      0.00000
     11      15.1476      0.00000
     12      15.7689      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4394      2.00000
      2       1.4840      2.00000
      3       2.5229      2.00000
      4       2.5938      2.00000
      5       3.3753      2.00000
      6       4.1216      2.00000
      7       4.7874      2.00000
      8       7.8192      0.00000
      9      15.4081      0.00000
     10      15.6036      0.00000
     11      15.9948      0.00000
     12      16.8485      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9277      2.00000
      2       1.7949      2.00000
      3       1.9314      2.00000
      4       2.9404      2.00000
      5       3.1606      2.00000
      6       3.8917      2.00000
      7       4.1591      2.00000
      8       7.5870      0.00000
      9      15.9357      0.00000
     10      16.4686      0.00000
     11      16.7112      0.00000
     12      16.8150      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264   0.000   0.000   0.000
  5.264  22.370   0.000   0.000   0.000
  0.000   0.000  -0.285   0.000   0.000
  0.000   0.000   0.000  -0.285   0.000
  0.000   0.000   0.000   0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.075  -0.022  -0.007   0.000   0.000
 -0.022   0.000   0.000   0.000   0.000
 -0.007   0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1754: real time    0.1754
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3411: real time    0.3411
    STRESS:  cpu time    4.1453: real time    4.1455
    FORCOR:  cpu time    0.0432: real time    0.0432
    FORHAR:  cpu time    0.0119: real time    0.0119
    MIXING:  cpu time    0.0053: real time    0.0053
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.30622   -72.37790   -72.35850     0.00000     0.00000    -0.00000
  Hartree     1.14010     1.12705     1.13381    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42425   -27.42267   -27.42279    -0.00000     0.00000     0.00000
  Local      -4.05418    -3.96095    -3.99537     0.00000    -0.00000     0.00000
  n-local    58.93099    58.91333    58.91359     0.25653     0.02311     0.18992
  augment    -3.03630    -3.03502    -3.03520    -0.00000     0.00000     0.00000
  Kinetic    46.89375    46.88745    46.88452    -3.61814    -0.57704    -2.94430
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03067     0.01806     0.00684     0.00000     0.00000     0.00000
  in kB       0.75274     0.44334     0.16799     0.00000     0.00000     0.00000
  external pressure =        0.45 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.155E-15 -.298E+00 -.212E-14   -.265E-15 0.282E+00 -.347E-15   -.106E-20 0.843E-01 -.379E-20   -.141E-03 0.320E-05 -.104E-07
   -.406E-14 0.401E+00 0.246E-13   0.204E-14 -.444E+00 -.903E-15   -.162E-18 0.605E-01 0.371E-19   0.113E-02 -.112E-03 -.833E-07
   -.335E-14 -.105E+01 -.904E-13   0.548E-15 0.846E+00 0.847E-15   0.502E-19 0.313E+00 0.591E-19   0.113E-02 0.147E-04 0.801E-07
   0.812E-15 0.101E+01 0.681E-07   -.247E-14 -.683E+00 0.228E-15   0.854E-18 -.525E+00 0.362E-20   -.107E-02 0.132E-03 0.801E-07
 -----------------------------------------------------------------------------------------------
   -.675E-14 0.674E-01 0.681E-07   -.140E-15 0.000E+00 -.175E-15   0.741E-18 -.675E-01 0.959E-19   0.106E-02 0.385E-04 0.666E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000      0.068211     -0.000000
      2.01274      2.01342      0.00000         0.000000      0.017013      0.000000
      2.01274      0.00000      2.01342        -0.000000      0.112887      0.000000
      0.00000      2.06342      2.01342         0.000000     -0.198111     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.001061     -0.000055      0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54874688 eV

  energy  without entropy=      -13.50869837  energy(sigma->0) =      -13.52872263
 
 d Force = 0.8571022E-03[-0.991E-02, 0.116E-01]  d Energy = 0.8506777E-03 0.642E-05
 d Force = 0.2147015E-01[-0.342E-01, 0.771E-01]  d Ewald  = 0.2147909E-01-0.894E-05


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0509: real time    0.0509


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:  13/ 13
  Displacement:        1/  2
  Total:              25/ 26
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    343 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      2.000000
  0.000000  0.000000 -0.076923      2.000000
  0.076923  0.076923  0.000000      4.000000
  0.076923  0.000000 -0.076923      4.000000
  0.153846  0.076923  0.000000      4.000000
  0.153846  0.000000 -0.076923      4.000000
  0.230769  0.076923  0.000000      4.000000
  0.230769  0.000000 -0.076923      4.000000
  0.307692  0.076923  0.000000      4.000000
  0.307692  0.000000 -0.076923      4.000000
  0.384615  0.076923  0.000000      4.000000
  0.384615  0.000000 -0.076923      4.000000
  0.461538  0.076923  0.000000      4.000000
  0.461538  0.000000 -0.076923      4.000000
  0.000000  0.153846  0.000000      2.000000
  0.000000  0.000000 -0.153846      2.000000
  0.076923  0.153846  0.000000      4.000000
  0.076923  0.000000 -0.153846      4.000000
  0.153846  0.153846  0.000000      4.000000
  0.153846  0.000000 -0.153846      4.000000
  0.230769  0.153846  0.000000      4.000000
  0.230769  0.000000 -0.153846      4.000000
  0.307692  0.153846  0.000000      4.000000
  0.307692  0.000000 -0.153846      4.000000
  0.384615  0.153846  0.000000      4.000000
  0.384615  0.000000 -0.153846      4.000000
  0.461538  0.153846  0.000000      4.000000
  0.461538  0.000000 -0.153846      4.000000
  0.000000  0.230769  0.000000      2.000000
  0.000000  0.000000 -0.230769      2.000000
  0.076923  0.230769  0.000000      4.000000
  0.076923  0.000000 -0.230769      4.000000
  0.153846  0.230769  0.000000      4.000000
  0.153846  0.000000 -0.230769      4.000000
  0.230769  0.230769  0.000000      4.000000
  0.230769  0.000000 -0.230769      4.000000
  0.307692  0.230769  0.000000      4.000000
  0.307692  0.000000 -0.230769      4.000000
  0.384615  0.230769  0.000000      4.000000
  0.384615  0.000000 -0.230769      4.000000
  0.461538  0.230769  0.000000      4.000000
  0.461538  0.000000 -0.230769      4.000000
  0.000000  0.307692  0.000000      2.000000
  0.000000  0.000000 -0.307692      2.000000
  0.076923  0.307692  0.000000      4.000000
  0.076923  0.000000 -0.307692      4.000000
  0.153846  0.307692  0.000000      4.000000
  0.153846  0.000000 -0.307692      4.000000
  0.230769  0.307692  0.000000      4.000000
  0.230769  0.000000 -0.307692      4.000000
  0.307692  0.307692  0.000000      4.000000
  0.307692  0.000000 -0.307692      4.000000
  0.384615  0.307692  0.000000      4.000000
  0.384615  0.000000 -0.307692      4.000000
  0.461538  0.307692  0.000000      4.000000
  0.461538  0.000000 -0.307692      4.000000
  0.000000  0.384615  0.000000      2.000000
  0.000000  0.000000 -0.384615      2.000000
  0.076923  0.384615  0.000000      4.000000
  0.076923  0.000000 -0.384615      4.000000
  0.153846  0.384615  0.000000      4.000000
  0.153846  0.000000 -0.384615      4.000000
  0.230769  0.384615  0.000000      4.000000
  0.230769  0.000000 -0.384615      4.000000
  0.307692  0.384615  0.000000      4.000000
  0.307692  0.000000 -0.384615      4.000000
  0.384615  0.384615  0.000000      4.000000
  0.384615  0.000000 -0.384615      4.000000
  0.461538  0.384615  0.000000      4.000000
  0.461538  0.000000 -0.384615      4.000000
  0.000000  0.461538  0.000000      2.000000
  0.000000  0.000000 -0.461538      2.000000
  0.076923  0.461538  0.000000      4.000000
  0.076923  0.000000 -0.461538      4.000000
  0.153846  0.461538  0.000000      4.000000
  0.153846  0.000000 -0.461538      4.000000
  0.230769  0.461538  0.000000      4.000000
  0.230769  0.000000 -0.461538      4.000000
  0.307692  0.461538  0.000000      4.000000
  0.307692  0.000000 -0.461538      4.000000
  0.384615  0.461538  0.000000      4.000000
  0.384615  0.000000 -0.461538      4.000000
  0.461538  0.461538  0.000000      4.000000
  0.461538  0.000000 -0.461538      4.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      4.000000
  0.000000  0.076923 -0.153846      4.000000
  0.076923  0.153846  0.076923      8.000000
  0.076923  0.076923 -0.153846      8.000000
  0.153846  0.153846  0.076923      8.000000
  0.153846  0.076923 -0.153846      8.000000
  0.230769  0.153846  0.076923      8.000000
  0.230769  0.076923 -0.153846      8.000000
  0.307692  0.153846  0.076923      8.000000
  0.307692  0.076923 -0.153846      8.000000
  0.384615  0.153846  0.076923      8.000000
  0.384615  0.076923 -0.153846      8.000000
  0.461538  0.153846  0.076923      8.000000
  0.461538  0.076923 -0.153846      8.000000
  0.000000  0.230769  0.076923      4.000000
  0.000000  0.076923 -0.230769      4.000000
  0.076923  0.230769  0.076923      8.000000
  0.076923  0.076923 -0.230769      8.000000
  0.153846  0.230769  0.076923      8.000000
  0.153846  0.076923 -0.230769      8.000000
  0.230769  0.230769  0.076923      8.000000
  0.230769  0.076923 -0.230769      8.000000
  0.307692  0.230769  0.076923      8.000000
  0.307692  0.076923 -0.230769      8.000000
  0.384615  0.230769  0.076923      8.000000
  0.384615  0.076923 -0.230769      8.000000
  0.461538  0.230769  0.076923      8.000000
  0.461538  0.076923 -0.230769      8.000000
  0.000000  0.307692  0.076923      4.000000
  0.000000  0.076923 -0.307692      4.000000
  0.076923  0.307692  0.076923      8.000000
  0.076923  0.076923 -0.307692      8.000000
  0.153846  0.307692  0.076923      8.000000
  0.153846  0.076923 -0.307692      8.000000
  0.230769  0.307692  0.076923      8.000000
  0.230769  0.076923 -0.307692      8.000000
  0.307692  0.307692  0.076923      8.000000
  0.307692  0.076923 -0.307692      8.000000
  0.384615  0.307692  0.076923      8.000000
  0.384615  0.076923 -0.307692      8.000000
  0.461538  0.307692  0.076923      8.000000
  0.461538  0.076923 -0.307692      8.000000
  0.000000  0.384615  0.076923      4.000000
  0.000000  0.076923 -0.384615      4.000000
  0.076923  0.384615  0.076923      8.000000
  0.076923  0.076923 -0.384615      8.000000
  0.153846  0.384615  0.076923      8.000000
  0.153846  0.076923 -0.384615      8.000000
  0.230769  0.384615  0.076923      8.000000
  0.230769  0.076923 -0.384615      8.000000
  0.307692  0.384615  0.076923      8.000000
  0.307692  0.076923 -0.384615      8.000000
  0.384615  0.384615  0.076923      8.000000
  0.384615  0.076923 -0.384615      8.000000
  0.461538  0.384615  0.076923      8.000000
  0.461538  0.076923 -0.384615      8.000000
  0.000000  0.461538  0.076923      4.000000
  0.000000  0.076923 -0.461538      4.000000
  0.076923  0.461538  0.076923      8.000000
  0.076923  0.076923 -0.461538      8.000000
  0.153846  0.461538  0.076923      8.000000
  0.153846  0.076923 -0.461538      8.000000
  0.230769  0.461538  0.076923      8.000000
  0.230769  0.076923 -0.461538      8.000000
  0.307692  0.461538  0.076923      8.000000
  0.307692  0.076923 -0.461538      8.000000
  0.384615  0.461538  0.076923      8.000000
  0.384615  0.076923 -0.461538      8.000000
  0.461538  0.461538  0.076923      8.000000
  0.461538  0.076923 -0.461538      8.000000
  0.000000  0.153846  0.153846      4.000000
  0.076923  0.153846  0.153846      8.000000
  0.153846  0.153846  0.153846      8.000000
  0.230769  0.153846  0.153846      8.000000
  0.307692  0.153846  0.153846      8.000000
  0.384615  0.153846  0.153846      8.000000
  0.461538  0.153846  0.153846      8.000000
  0.000000  0.230769  0.153846      4.000000
  0.000000  0.153846 -0.230769      4.000000
  0.076923  0.230769  0.153846      8.000000
  0.076923  0.153846 -0.230769      8.000000
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  0.038218  0.095513  0.038205      8.000000
  0.038218  0.038205 -0.095513      8.000000
  0.057327  0.095513  0.038205      8.000000
  0.057327  0.038205 -0.095513      8.000000
  0.076436  0.095513  0.038205      8.000000
  0.076436  0.038205 -0.095513      8.000000
  0.095545  0.095513  0.038205      8.000000
  0.095545  0.038205 -0.095513      8.000000
  0.114654  0.095513  0.038205      8.000000
  0.114654  0.038205 -0.095513      8.000000
  0.000000  0.114616  0.038205      4.000000
  0.000000  0.038205 -0.114616      4.000000
  0.019109  0.114616  0.038205      8.000000
  0.019109  0.038205 -0.114616      8.000000
  0.038218  0.114616  0.038205      8.000000
  0.038218  0.038205 -0.114616      8.000000
  0.057327  0.114616  0.038205      8.000000
  0.057327  0.038205 -0.114616      8.000000
  0.076436  0.114616  0.038205      8.000000
  0.076436  0.038205 -0.114616      8.000000
  0.095545  0.114616  0.038205      8.000000
  0.095545  0.038205 -0.114616      8.000000
  0.114654  0.114616  0.038205      8.000000
  0.114654  0.038205 -0.114616      8.000000
  0.000000  0.057308  0.057308      4.000000
  0.019109  0.057308  0.057308      8.000000
  0.038218  0.057308  0.057308      8.000000
  0.057327  0.057308  0.057308      8.000000
  0.076436  0.057308  0.057308      8.000000
  0.095545  0.057308  0.057308      8.000000
  0.114654  0.057308  0.057308      8.000000
  0.000000  0.076411  0.057308      4.000000
  0.000000  0.057308 -0.076411      4.000000
  0.019109  0.076411  0.057308      8.000000
  0.019109  0.057308 -0.076411      8.000000
  0.038218  0.076411  0.057308      8.000000
  0.038218  0.057308 -0.076411      8.000000
  0.057327  0.076411  0.057308      8.000000
  0.057327  0.057308 -0.076411      8.000000
  0.076436  0.076411  0.057308      8.000000
  0.076436  0.057308 -0.076411      8.000000
  0.095545  0.076411  0.057308      8.000000
  0.095545  0.057308 -0.076411      8.000000
  0.114654  0.076411  0.057308      8.000000
  0.114654  0.057308 -0.076411      8.000000
  0.000000  0.095513  0.057308      4.000000
  0.000000  0.057308 -0.095513      4.000000
  0.019109  0.095513  0.057308      8.000000
  0.019109  0.057308 -0.095513      8.000000
  0.038218  0.095513  0.057308      8.000000
  0.038218  0.057308 -0.095513      8.000000
  0.057327  0.095513  0.057308      8.000000
  0.057327  0.057308 -0.095513      8.000000
  0.076436  0.095513  0.057308      8.000000
  0.076436  0.057308 -0.095513      8.000000
  0.095545  0.095513  0.057308      8.000000
  0.095545  0.057308 -0.095513      8.000000
  0.114654  0.095513  0.057308      8.000000
  0.114654  0.057308 -0.095513      8.000000
  0.000000  0.114616  0.057308      4.000000
  0.000000  0.057308 -0.114616      4.000000
  0.019109  0.114616  0.057308      8.000000
  0.019109  0.057308 -0.114616      8.000000
  0.038218  0.114616  0.057308      8.000000
  0.038218  0.057308 -0.114616      8.000000
  0.057327  0.114616  0.057308      8.000000
  0.057327  0.057308 -0.114616      8.000000
  0.076436  0.114616  0.057308      8.000000
  0.076436  0.057308 -0.114616      8.000000
  0.095545  0.114616  0.057308      8.000000
  0.095545  0.057308 -0.114616      8.000000
  0.114654  0.114616  0.057308      8.000000
  0.114654  0.057308 -0.114616      8.000000
  0.000000  0.076411  0.076411      4.000000
  0.019109  0.076411  0.076411      8.000000
  0.038218  0.076411  0.076411      8.000000
  0.057327  0.076411  0.076411      8.000000
  0.076436  0.076411  0.076411      8.000000
  0.095545  0.076411  0.076411      8.000000
  0.114654  0.076411  0.076411      8.000000
  0.000000  0.095513  0.076411      4.000000
  0.000000  0.076411 -0.095513      4.000000
  0.019109  0.095513  0.076411      8.000000
  0.019109  0.076411 -0.095513      8.000000
  0.038218  0.095513  0.076411      8.000000
  0.038218  0.076411 -0.095513      8.000000
  0.057327  0.095513  0.076411      8.000000
  0.057327  0.076411 -0.095513      8.000000
  0.076436  0.095513  0.076411      8.000000
  0.076436  0.076411 -0.095513      8.000000
  0.095545  0.095513  0.076411      8.000000
  0.095545  0.076411 -0.095513      8.000000
  0.114654  0.095513  0.076411      8.000000
  0.114654  0.076411 -0.095513      8.000000
  0.000000  0.114616  0.076411      4.000000
  0.000000  0.076411 -0.114616      4.000000
  0.019109  0.114616  0.076411      8.000000
  0.019109  0.076411 -0.114616      8.000000
  0.038218  0.114616  0.076411      8.000000
  0.038218  0.076411 -0.114616      8.000000
  0.057327  0.114616  0.076411      8.000000
  0.057327  0.076411 -0.114616      8.000000
  0.076436  0.114616  0.076411      8.000000
  0.076436  0.076411 -0.114616      8.000000
  0.095545  0.114616  0.076411      8.000000
  0.095545  0.076411 -0.114616      8.000000
  0.114654  0.114616  0.076411      8.000000
  0.114654  0.076411 -0.114616      8.000000
  0.000000  0.095513  0.095513      4.000000
  0.019109  0.095513  0.095513      8.000000
  0.038218  0.095513  0.095513      8.000000
  0.057327  0.095513  0.095513      8.000000
  0.076436  0.095513  0.095513      8.000000
  0.095545  0.095513  0.095513      8.000000
  0.114654  0.095513  0.095513      8.000000
  0.000000  0.114616  0.095513      4.000000
  0.000000  0.095513 -0.114616      4.000000
  0.019109  0.114616  0.095513      8.000000
  0.019109  0.095513 -0.114616      8.000000
  0.038218  0.114616  0.095513      8.000000
  0.038218  0.095513 -0.114616      8.000000
  0.057327  0.114616  0.095513      8.000000
  0.057327  0.095513 -0.114616      8.000000
  0.076436  0.114616  0.095513      8.000000
  0.076436  0.095513 -0.114616      8.000000
  0.095545  0.114616  0.095513      8.000000
  0.095545  0.095513 -0.114616      8.000000
  0.114654  0.114616  0.095513      8.000000
  0.114654  0.095513 -0.114616      8.000000
  0.000000  0.114616  0.114616      4.000000
  0.019109  0.114616  0.114616      8.000000
  0.038218  0.114616  0.114616      8.000000
  0.057327  0.114616  0.114616      8.000000
  0.076436  0.114616  0.114616      8.000000
  0.095545  0.114616  0.114616      8.000000
  0.114654  0.114616  0.114616      8.000000
 
    WAVPRE:  cpu time    0.4011: real time    0.4052
    FEWALD:  cpu time    0.0023: real time    0.0023
    GENKIN:  cpu time    0.0694: real time    0.0694
    ORTHCH:  cpu time    2.2307: real time    2.2339
     LOOP+:  cpu time  153.7508: real time  153.8283


--------------------------------------- Iteration     27(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0501: real time    0.0509
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   22.1950: real time   22.2040
       DOS:  cpu time    0.0166: real time    0.0166
    CHARGE:  cpu time    0.1751: real time    0.1751
    MIXING:  cpu time    0.0032: real time    0.0032
    --------------------------------------------
      LOOP:  cpu time   22.4434: real time   22.4531

 eigenvalue-minimisations  :  8400
 total energy-change (2. order) :-0.6256393E-03  (-0.8988920E-01)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060816 magnetization 

 Broyden mixing:
  rms(total) = 0.24517E-01    rms(broyden)= 0.24516E-01
  rms(prec ) = 0.75885E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.39235201
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80192380
  PAW double counting   =       428.81619515     -327.46918950
  entropy T*S    EENTRO =        -0.04002568
  eigenvalues    EBANDS =        22.57821960
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54937224 eV

  energy without entropy =      -13.50934656  energy(sigma->0) =      -13.52935940


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0507: real time    0.0511
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   25.2056: real time   25.2179
       DOS:  cpu time    0.0129: real time    0.0129
    CHARGE:  cpu time    0.1696: real time    0.1696
    MIXING:  cpu time    0.0035: real time    0.0035
    --------------------------------------------
      LOOP:  cpu time   25.4456: real time   25.4583

 eigenvalue-minimisations  : 10388
 total energy-change (2. order) : 0.2393188E-03  (-0.2714397E-02)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060627 magnetization 

 Broyden mixing:
  rms(total) = 0.12688E-01    rms(broyden)= 0.12687E-01
  rms(prec ) = 0.34490E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8903
  0.8903

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.39591210
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80186149
  PAW double counting   =       429.49697426     -328.14995314
  entropy T*S    EENTRO =        -0.04003839
  eigenvalues    EBANDS =        22.58195395
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54913292 eV

  energy without entropy =      -13.50909452  energy(sigma->0) =      -13.52911372


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0442: real time    0.0446
    SETDIJ:  cpu time    0.0027: real time    0.0027
     EDDAV:  cpu time   21.2772: real time   21.2839
       DOS:  cpu time    0.0147: real time    0.0146
    CHARGE:  cpu time    0.1749: real time    0.1750
    MIXING:  cpu time    0.0050: real time    0.0050
    --------------------------------------------
      LOOP:  cpu time   21.5188: real time   21.5259

 eigenvalue-minimisations  :  9604
 total energy-change (2. order) : 0.4244365E-03  (-0.2640448E-03)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060461 magnetization 

 Broyden mixing:
  rms(total) = 0.53333E-02    rms(broyden)= 0.53333E-02
  rms(prec ) = 0.86829E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5380
  1.1418  1.9343

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40025025
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167568
  PAW double counting   =       428.56345912     -327.21649856
  entropy T*S    EENTRO =        -0.04004777
  eigenvalues    EBANDS =        22.58660066
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54870848 eV

  energy without entropy =      -13.50866071  energy(sigma->0) =      -13.52868460


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0517: real time    0.0521
    SETDIJ:  cpu time    0.0040: real time    0.0040
     EDDAV:  cpu time   24.7831: real time   24.7957
       DOS:  cpu time    0.0144: real time    0.0144
    CHARGE:  cpu time    0.1749: real time    0.1749
    MIXING:  cpu time    0.0069: real time    0.0069
    --------------------------------------------
      LOOP:  cpu time   25.0350: real time   25.0479

 eigenvalue-minimisations  : 10276
 total energy-change (2. order) :-0.3157518E-04  (-0.1920494E-04)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060279 magnetization 

 Broyden mixing:
  rms(total) = 0.26292E-02    rms(broyden)= 0.26292E-02
  rms(prec ) = 0.44833E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6623
  1.0261  1.5236  2.4371

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40064902
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80168278
  PAW double counting   =       428.42227613     -327.07529619
  entropy T*S    EENTRO =        -0.04004826
  eigenvalues    EBANDS =        22.58695606
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54874006 eV

  energy without entropy =      -13.50869180  energy(sigma->0) =      -13.52871593


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0507: real time    0.0511
    SETDIJ:  cpu time    0.0043: real time    0.0043
     EDDAV:  cpu time   24.3617: real time   24.3718
       DOS:  cpu time    0.0167: real time    0.0167
    --------------------------------------------
      LOOP:  cpu time   24.4334: real time   24.4439

 eigenvalue-minimisations  :  9812
 total energy-change (2. order) :-0.6826670E-05  (-0.8418740E-06)
 number of electron      10.0000000 magnetization 
 augmentation part       -0.1060279 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.11323089
  Ewald energy   TEWEN  =      -217.04253342
  -Hartree energ DENC   =        -3.40101673
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -82.80167551
  PAW double counting   =       428.65316150     -327.30616307
  entropy T*S    EENTRO =        -0.04004863
  eigenvalues    EBANDS =        22.58729157
  atomic energy  EATOM  =       165.91546831
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -13.54874688 eV

  energy without entropy =      -13.50869825  energy(sigma->0) =      -13.52872257


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9748  1.0406
  (the norm of the test charge is              1.0000)
       1 -24.2475       2 -74.2405       3 -74.2386       4 -74.2390
 
 
 
 E-fermi :   6.2571     XC(G=0):  -9.5664     alpha+bet :-13.5312


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6247      2.00000
      2       4.3275      2.00000
      3       4.3277      2.00000
      4       4.3319      2.00000
      5       5.5468      1.99836
      6       5.5558      1.99820
      7       7.5999      0.00000
      8      12.4884      0.00000
      9      12.5069      0.00000
     10      12.5174      0.00000
     11      12.8105      0.00000
     12      12.8327      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6437      2.00000
      3       4.3768      2.00000
      4       4.3777      2.00000
      5       5.5998      1.99721
      6       6.1587      1.45568
      7       7.8005      0.00000
      8      11.5750      0.00000
      9      11.5752      0.00000
     10      12.1720      0.00000
     11      12.8575      0.00000
     12      12.9853      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.4282      2.00000
      2       2.6150      2.00000
      3       4.5236      2.00000
      4       4.5245      2.00000
      5       5.7582      1.98647
      6       6.7609      0.01289
      7       8.5735      0.00000
      8      10.4576      0.00000
      9      10.4597      0.00000
     10      11.4066      0.00000
     11      12.8066      0.00000
     12      13.0012      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1864      2.00000
      2       1.6214      2.00000
      3       4.7670      2.00000
      4       4.7677      2.00000
      5       6.0210      1.82756
      6       7.0443      0.00076
      7       9.4209      0.00000
      8       9.4239      0.00000
      9       9.8448      0.00000
     10      10.5257      0.00000
     11      12.3260      0.00000
     12      13.2344      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8582      2.00000
      2       0.7170      2.00000
      3       5.1033      1.99998
      4       5.1038      1.99998
      5       6.3864      0.43063
      6       7.2187      0.00013
      7       8.4857      0.00000
      8       8.4899      0.00000
      9       9.6525      0.00000
     10      11.2339      0.00000
     11      12.0100      0.00000
     12      13.5430      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4684      2.00000
      2      -0.0607      2.00000
      3       5.5201      1.99874
      4       5.5201      1.99874
      5       6.8502      0.00530
      6       7.3426      0.00004
      7       7.6685      0.00000
      8       7.6770      0.00000
      9       8.8348      0.00000
     10      11.4212      0.00000
     11      13.1381      0.00000
     12      13.8887      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.1170      2.00000
      2      -0.6069      2.00000
      3       5.9449      1.91552
      4       5.9462      1.91453
      5       7.0368      0.00082
      6       7.0419      0.00078
      7       7.4125      0.00002
      8       7.4198      0.00002
      9       8.1014      0.00000
     10      11.2676      0.00000
     11      14.1625      0.00000
     12      14.5236      0.00000

 k-point     8 :       0.0000    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6402      2.00000
      3       4.3767      2.00000
      4       4.3809      2.00000
      5       5.6046      1.99707
      6       6.1558      1.46710
      7       7.7985      0.00000
      8      11.5718      0.00000
      9      11.5730      0.00000
     10      12.1744      0.00000
     11      12.8610      0.00000
     12      12.9909      0.00000

 k-point     9 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5639      2.00000
      3       3.8395      2.00000
      4       4.4258      2.00000
      5       5.9317      1.92562
      6       6.5079      0.15060
      7       7.9519      0.00000
      8      10.8393      0.00000
      9      11.4719      0.00000
     10      11.8599      0.00000
     11      12.3600      0.00000
     12      12.8467      0.00000

 k-point    10 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6475      2.00000
      3       3.8806      2.00000
      4       4.5726      2.00000
      5       6.1429      1.51580
      6       7.1334      0.00031
      7       8.6220      0.00000
      8       9.8314      0.00000
      9      10.4983      0.00000
     10      11.7942      0.00000
     11      11.8393      0.00000
     12      12.8693      0.00000

 k-point    11 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1      -3.1367      2.00000
      2       1.6626      2.00000
      3       4.1151      2.00000
      4       4.8159      2.00000
      5       6.3871      0.42831
      6       7.4351      0.00002
      7       8.8263      0.00000
      8       9.4680      0.00000
      9       9.9055      0.00000
     10      10.9718      0.00000
     11      12.0638      0.00000
     12      12.5011      0.00000

 k-point    12 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.8081      2.00000
      2       0.7605      2.00000
      3       4.4443      2.00000
      4       5.1522      1.99997
      5       6.6757      0.02995
      6       7.5824      0.00000
      7       8.0392      0.00000
      8       8.5339      0.00000
      9      10.1185      0.00000
     10      11.3461      0.00000
     11      12.1122      0.00000
     12      12.3815      0.00000

 k-point    13 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.4175      2.00000
      2      -0.0168      2.00000
      3       4.8489      2.00000
      4       5.5688      1.99795
      5       6.7485      0.01457
      6       7.4471      0.00001
      7       7.7172      0.00000
      8       7.8894      0.00000
      9       9.3432      0.00000
     10      11.6120      0.00000
     11      12.7621      0.00000
     12      13.0918      0.00000

 k-point    14 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1      -2.0645      2.00000
      2      -0.5643      2.00000
      3       5.2499      1.99992
      4       5.9947      1.86476
      5       6.3349      0.62922
      6       7.0910      0.00048
      7       7.6138      0.00000
      8       8.1175      0.00000
      9       8.6732      0.00000
     10      11.4387      0.00000
     11      13.1074      0.00000
     12      14.1371      0.00000

 k-point    15 :       0.0000    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6119      2.00000
      3       4.5234      2.00000
      4       4.5275      2.00000
      5       5.7629      1.98581
      6       6.7616      0.01280
      7       8.5661      0.00000
      8      10.4548      0.00000
      9      10.4583      0.00000
     10      11.4112      0.00000
     11      12.8135      0.00000
     12      13.0044      0.00000

 k-point    16 :       0.0769    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6446      2.00000
      3       3.8838      2.00000
      4       4.5724      2.00000
      5       6.1448      1.50897
      6       7.1363      0.00030
      7       8.6153      0.00000
      8       9.8317      0.00000
      9      10.4956      0.00000
     10      11.7952      0.00000
     11      11.8427      0.00000
     12      12.8803      0.00000

 k-point    17 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5821      2.00000
      3       3.0713      2.00000
      4       4.7191      2.00000
      5       6.4075      0.36361
      6       8.0478      0.00000
      7       8.6540      0.00000
      8       9.1593      0.00000
      9      10.4931      0.00000
     10      10.8464      0.00000
     11      11.8451      0.00000
     12      12.6315      0.00000

 k-point    18 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7724      2.00000
      3       3.1262      2.00000
      4       4.9624      2.00000
      5       6.5659      0.08715
      6       7.9148      0.00000
      7       8.5973      0.00000
      8       9.6046      0.00000
      9      10.0323      0.00000
     10      10.9291      0.00000
     11      11.3323      0.00000
     12      12.6338      0.00000

 k-point    19 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.6585      2.00000
      2       0.8875      2.00000
      3       3.4294      2.00000
      4       5.2984      1.99986
      5       6.4563      0.24008
      6       7.4666      0.00001
      7       8.6776      0.00000
      8       8.8197      0.00000
      9      10.6512      0.00000
     10      11.2426      0.00000
     11      11.4990      0.00000
     12      12.5211      0.00000

 k-point    20 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -2.2653      2.00000
      2       0.1128      2.00000
      3       3.8140      2.00000
      4       5.7148      1.99121
      5       5.9132      1.93776
      6       7.5782      0.00000
      7       7.8627      0.00000
      8       8.9556      0.00000
      9      10.1177      0.00000
     10      11.6277      0.00000
     11      12.2002      0.00000
     12      12.8479      0.00000

 k-point    21 :       0.4615    0.1538    0.0000
  band No.  band energies     occupation 
      1      -1.9072      2.00000
      2      -0.4379      2.00000
      3       4.1833      2.00000
      4       5.4025      1.99961
      5       6.1400      1.52653
      6       7.2377      0.00011
      7       7.7961      0.00000
      8       8.9609      0.00000
      9       9.8257      0.00000
     10      11.9786      0.00000
     11      11.9829      0.00000
     12      13.3920      0.00000

 k-point    22 :       0.0000    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6189      2.00000
      3       4.7664      2.00000
      4       4.7704      2.00000
      5       6.0256      1.82015
      6       7.0465      0.00075
      7       9.4190      0.00000
      8       9.4232      0.00000
      9       9.8265      0.00000
     10      10.5394      0.00000
     11      12.3310      0.00000
     12      13.2374      0.00000

 k-point    23 :       0.0769    0.2308    0.0000
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6602      2.00000
      3       4.1180      2.00000
      4       4.8154      2.00000
      5       6.3890      0.42177
      6       7.4399      0.00001
      7       8.8247      0.00000
      8       9.4660      0.00000
      9       9.8941      0.00000
     10      10.9778      0.00000
     11      12.0671      0.00000
     12      12.5089      0.00000

 k-point    24 :       0.1538    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.9887      2.00000
      2       1.7703      2.00000
      3       3.1286      2.00000
      4       4.9621      2.00000
      5       6.5664      0.08676
      6       7.9163      0.00000
      7       8.6009      0.00000
      8       9.6029      0.00000
      9      10.0237      0.00000
     10      10.9314      0.00000
     11      11.3341      0.00000
     12      12.6388      0.00000

 k-point    25 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7612      2.00000
      3       2.3758      2.00000
      4       5.2051      1.99995
      5       6.3578      0.53485
      6       7.4619      0.00001
      7       9.7076      0.00000
      8       9.7396      0.00000
      9      10.0224      0.00000
     10      10.3527      0.00000
     11      11.2947      0.00000
     12      12.4465      0.00000

 k-point    26 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0762      2.00000
      3       2.4677      2.00000
      4       5.5409      1.99845
      5       5.7119      1.99145
      6       7.5415      0.00001
      7       8.9107      0.00000
      8      10.0106      0.00000
      9      10.2087      0.00000
     10      11.0923      0.00000
     11      11.4346      0.00000
     12      12.6283      0.00000

 k-point    27 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2       0.3207      2.00000
      3       2.8125      2.00000
      4       5.0238      1.99999
      5       5.9567      1.90543
      6       7.8087      0.00000
      7       8.1021      0.00000
      8       9.7715      0.00000
      9      10.5923      0.00000
     10      11.1171      0.00000
     11      12.1640      0.00000
     12      12.9232      0.00000

 k-point    28 :       0.4615    0.2308    0.0000
  band No.  band energies     occupation 
      1      -1.6464      2.00000
      2      -0.2337      2.00000
      3       3.1464      2.00000
      4       4.5134      2.00000
      5       6.3811      0.44867
      6       7.4791      0.00001
      7       8.0564      0.00000
      8       9.4684      0.00000
      9      10.9536      0.00000
     10      11.2492      0.00000
     11      12.3608      0.00000
     12      12.4802      0.00000

 k-point    29 :       0.0000    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7152      2.00000
      3       5.1023      1.99998
      4       5.1061      1.99998
      5       6.3909      0.41552
      6       7.2212      0.00013
      7       8.4846      0.00000
      8       8.4893      0.00000
      9       9.6510      0.00000
     10      11.2314      0.00000
     11      12.0142      0.00000
     12      13.5458      0.00000

 k-point    30 :       0.0769    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       0.7588      2.00000
      3       4.4469      2.00000
      4       5.1512      1.99997
      5       6.6777      0.02936
      6       7.5881      0.00000
      7       8.0377      0.00000
      8       8.5329      0.00000
      9      10.1153      0.00000
     10      11.3435      0.00000
     11      12.1190      0.00000
     12      12.3844      0.00000

 k-point    31 :       0.1538    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.6591      2.00000
      2       0.8860      2.00000
      3       3.4315      2.00000
      4       5.2976      1.99986
      5       6.4577      0.23700
      6       7.4668      0.00001
      7       8.6768      0.00000
      8       8.8240      0.00000
      9      10.6471      0.00000
     10      11.2445      0.00000
     11      11.4957      0.00000
     12      12.5301      0.00000

 k-point    32 :       0.2308    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.4125      2.00000
      2       1.0751      2.00000
      3       2.4691      2.00000
      4       5.5404      1.99846
      5       5.7127      1.99139
      6       7.5413      0.00001
      7       8.9102      0.00000
      8      10.0127      0.00000
      9      10.2096      0.00000
     10      11.0955      0.00000
     11      11.4302      0.00000
     12      12.6262      0.00000

 k-point    33 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.0757      2.00000
      2       1.1359      2.00000
      3       1.7985      2.00000
      4       4.9126      2.00000
      5       5.8757      1.95681
      6       7.7987      0.00000
      7       9.1179      0.00000
      8       9.3945      0.00000
      9      10.4713      0.00000
     10      11.3180      0.00000
     11      11.9577      0.00000
     12      12.7741      0.00000

 k-point    34 :       0.3846    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.6693      2.00000
      2       0.5806      2.00000
      3       1.9146      2.00000
      4       4.2065      2.00000
      5       6.2911      0.83144
      6       8.1241      0.00000
      7       8.4261      0.00000
      8       9.6654      0.00000
      9      10.1334      0.00000
     10      11.5154      0.00000
     11      11.9898      0.00000
     12      12.4926      0.00000

 k-point    35 :       0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -1.2853      2.00000
      2       0.0335      2.00000
      3       2.1918      2.00000
      4       3.7184      2.00000
      5       6.7152      0.02028
      6       7.8079      0.00000
      7       8.4091      0.00000
      8       9.7682      0.00000
      9      10.0272      0.00000
     10      11.4205      0.00000
     11      11.6691      0.00000
     12      12.7859      0.00000

 k-point    36 :       0.0000    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4697      2.00000
      2      -0.0617      2.00000
      3       5.5182      1.99876
      4       5.5216      1.99872
      5       6.8555      0.00502
      6       7.3470      0.00004
      7       7.6686      0.00000
      8       7.6738      0.00000
      9       8.8368      0.00000
     10      11.4260      0.00000
     11      13.1321      0.00000
     12      13.8917      0.00000

 k-point    37 :       0.0769    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8507      2.00000
      4       5.5670      1.99799
      5       6.7525      0.01401
      6       7.4475      0.00001
      7       7.7174      0.00000
      8       7.8909      0.00000
      9       9.3448      0.00000
     10      11.6180      0.00000
     11      12.7642      0.00000
     12      13.0864      0.00000

 k-point    38 :       0.1538    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.2664      2.00000
      2       0.1120      2.00000
      3       3.8155      2.00000
      4       5.7131      1.99135
      5       5.9158      1.93619
      6       7.5778      0.00000
      7       7.8631      0.00000
      8       8.9572      0.00000
      9      10.1203      0.00000
     10      11.6288      0.00000
     11      12.2099      0.00000
     12      12.8428      0.00000

 k-point    39 :       0.2308    0.3846    0.0000
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2       0.3202      2.00000
      3       2.8134      2.00000
      4       5.0255      1.99999
      5       5.9554      1.90667
      6       7.8084      0.00000
      7       8.1027      0.00000
      8       9.7699      0.00000
      9      10.5925      0.00000
     10      11.1245      0.00000
     11      12.1662      0.00000
     12      12.9255      0.00000

 k-point    40 :       0.3077    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.6698      2.00000
      2       0.5805      2.00000
      3       1.9149      2.00000
      4       4.2073      2.00000
      5       6.2902      0.83574
      6       8.1240      0.00000
      7       8.4273      0.00000
      8       9.6646      0.00000
      9      10.1316      0.00000
     10      11.5177      0.00000
     11      11.9910      0.00000
     12      12.5008      0.00000

 k-point    41 :       0.3846    0.3846    0.0000
  band No.  band energies     occupation 
      1      -1.2484      2.00000
      2       0.7157      2.00000
      3       1.2954      2.00000
      4       3.5183      2.00000
      5       6.7056      0.02230
      6       8.5001      0.00000
      7       8.7247      0.00000
      8       8.9489      0.00000
      9      10.1847      0.00000
     10      11.0397      0.00000
     11      11.1898      0.00000
     12      13.5125      0.00000

 k-point    42 :       0.4615    0.3846    0.0000
  band No.  band energies     occupation 
      1      -0.8337      2.00000
      2       0.3253      2.00000
      3       1.3438      2.00000
      4       3.0672      2.00000
      5       7.1319      0.00032
      6       8.2001      0.00000
      7       8.8470      0.00000
      8       9.2157      0.00000
      9       9.9484      0.00000
     10      10.6187      0.00000
     11      10.8986      0.00000
     12      13.4342      0.00000

 k-point    43 :       0.0000    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.1192      2.00000
      2      -0.6070      2.00000
      3       5.9423      1.91759
      4       5.9447      1.91568
      5       7.0441      0.00076
      6       7.0504      0.00072
      7       7.4048      0.00002
      8       7.4197      0.00002
      9       8.1064      0.00000
     10      11.2735      0.00000
     11      14.1663      0.00000
     12      14.5225      0.00000

 k-point    44 :       0.0769    0.4615    0.0000
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5643      2.00000
      3       5.2503      1.99992
      4       5.9909      1.86942
      5       6.3404      0.60566
      6       7.0933      0.00047
      7       7.6127      0.00000
      8       8.1165      0.00000
      9       8.6794      0.00000
     10      11.4457      0.00000
     11      13.1082      0.00000
     12      14.1371      0.00000

 k-point    45 :       0.1538    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.9092      2.00000
      2      -0.4377      2.00000
      3       4.1836      2.00000
      4       5.4064      1.99960
      5       6.1364      1.53937
      6       7.2401      0.00011
      7       7.7955      0.00000
      8       8.9586      0.00000
      9       9.8329      0.00000
     10      11.9827      0.00000
     11      11.9887      0.00000
     12      13.3926      0.00000

 k-point    46 :       0.2308    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.6482      2.00000
      2      -0.2333      2.00000
      3       3.1464      2.00000
      4       4.5162      2.00000
      5       6.3778      0.46021
      6       7.4818      0.00001
      7       8.0560      0.00000
      8       9.4660      0.00000
      9      10.9524      0.00000
     10      11.2565      0.00000
     11      12.3646      0.00000
     12      12.4839      0.00000

 k-point    47 :       0.3077    0.4615    0.0000
  band No.  band energies     occupation 
      1      -1.2868      2.00000
      2       0.0344      2.00000
      3       2.1914      2.00000
      4       3.7202      2.00000
      5       6.7124      0.02085
      6       7.8110      0.00000
      7       8.4089      0.00000
      8       9.7661      0.00000
      9      10.0250      0.00000
     10      11.4233      0.00000
     11      11.6706      0.00000
     12      12.7942      0.00000

 k-point    48 :       0.3846    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.8347      2.00000
      2       0.3268      2.00000
      3       1.3428      2.00000
      4       3.0680      2.00000
      5       7.1300      0.00032
      6       8.2041      0.00000
      7       8.8470      0.00000
      8       9.2124      0.00000
      9       9.9469      0.00000
     10      10.6203      0.00000
     11      10.8997      0.00000
     12      13.4375      0.00000

 k-point    49 :       0.4615    0.4615    0.0000
  band No.  band energies     occupation 
      1      -0.3495      2.00000
      2       0.5047      2.00000
      3       0.7065      2.00000
      4       2.6610      2.00000
      5       7.5689      0.00000
      6       8.5280      0.00000
      7       8.6113      0.00000
      8       9.3174      0.00000
      9      10.0081      0.00000
     10      10.0557      0.00000
     11      10.2879      0.00000
     12      13.3312      0.00000

 k-point    50 :       0.0000    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.5261      2.00000
      2       3.5603      2.00000
      3       3.8395      2.00000
      4       4.4299      2.00000
      5       5.9372      1.92156
      6       6.5025      0.15824
      7       7.9509      0.00000
      8      10.8365      0.00000
      9      11.4682      0.00000
     10      11.8670      0.00000
     11      12.3621      0.00000
     12      12.8535      0.00000

 k-point    51 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.4767      2.00000
      2       3.5937      2.00000
      3       3.6348      2.00000
      4       4.0642      2.00000
      5       6.5332      0.11889
      6       6.5778      0.07776
      7       8.0762      0.00000
      8      10.7238      0.00000
      9      10.7724      0.00000
     10      11.3226      0.00000
     11      12.6517      0.00000
     12      13.3170      0.00000

 k-point    52 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.3293      2.00000
      2       2.6832      2.00000
      3       3.7643      2.00000
      4       4.1236      2.00000
      5       6.7008      0.02337
      6       7.3006      0.00006
      7       8.6662      0.00000
      8       9.6995      0.00000
      9      10.0566      0.00000
     10      11.1899      0.00000
     11      12.2590      0.00000
     12      13.2405      0.00000

 k-point    53 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1      -3.0870      2.00000
      2       1.7045      2.00000
      3       4.0162      2.00000
      4       4.3371      2.00000
      5       6.9430      0.00210
      6       7.5951      0.00000
      7       8.6983      0.00000
      8       9.0965      0.00000
      9       9.9743      0.00000
     10      11.3717      0.00000
     11      11.4268      0.00000
     12      12.7738      0.00000

 k-point    54 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.7580      2.00000
      2       0.8044      2.00000
      3       4.3663      2.00000
      4       4.6350      2.00000
      5       7.2118      0.00014
      6       7.6046      0.00000
      7       7.8493      0.00000
      8       8.4806      0.00000
      9      10.5647      0.00000
     10      11.3382      0.00000
     11      11.6477      0.00000
     12      12.4215      0.00000

 k-point    55 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.3665      2.00000
      2       0.0272      2.00000
      3       4.8069      2.00000
      4       4.9863      1.99999
      5       6.8196      0.00718
      6       7.2143      0.00014
      7       7.8639      0.00000
      8       8.3014      0.00000
      9       9.7560      0.00000
     10      11.6854      0.00000
     11      12.0884      0.00000
     12      13.2374      0.00000

 k-point    56 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1      -2.0119      2.00000
      2      -0.5214      2.00000
      3       5.2729      1.99989
      4       5.3133      1.99984
      5       6.1673      1.42102
      6       6.7911      0.00954
      7       8.3175      0.00000
      8       8.3829      0.00000
      9       9.0273      0.00000
     10      11.5626      0.00000
     11      12.3682      0.00000
     12      13.8857      0.00000

 k-point    57 :       0.0000    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6443      2.00000
      3       3.8805      2.00000
      4       4.5765      2.00000
      5       6.1485      1.49499
      6       7.1321      0.00032
      7       8.6147      0.00000
      8       9.8288      0.00000
      9      10.4986      0.00000
     10      11.7988      0.00000
     11      11.8438      0.00000
     12      12.8804      0.00000

 k-point    58 :       0.0769    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6802      2.00000
      3       3.7672      2.00000
      4       4.1237      2.00000
      5       6.7059      0.02222
      6       7.3000      0.00006
      7       8.6593      0.00000
      8       9.7011      0.00000
      9      10.0537      0.00000
     10      11.1925      0.00000
     11      12.2628      0.00000
     12      13.2363      0.00000

 k-point    59 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6334      2.00000
      3       3.0700      2.00000
      4       4.1443      2.00000
      5       7.0868      0.00050
      6       8.0889      0.00000
      7       8.7027      0.00000
      8       9.0989      0.00000
      9       9.8202      0.00000
     10      10.4908      0.00000
     11      12.4848      0.00000
     12      13.1057      0.00000

 k-point    60 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8172      2.00000
      3       3.1484      2.00000
      4       4.3604      2.00000
      5       7.1855      0.00019
      6       8.0207      0.00000
      7       8.5016      0.00000
      8       9.1909      0.00000
      9       9.9018      0.00000
     10      10.6050      0.00000
     11      11.9353      0.00000
     12      13.1274      0.00000

 k-point    61 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.6083      2.00000
      2       0.9324      2.00000
      3       3.4601      2.00000
      4       4.6642      2.00000
      5       6.7376      0.01623
      6       7.8611      0.00000
      7       8.0778      0.00000
      8       9.1130      0.00000
      9      10.5287      0.00000
     10      11.1516      0.00000
     11      11.7020      0.00000
     12      12.8190      0.00000

 k-point    62 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -2.2143      2.00000
      2       0.1576      2.00000
      3       3.8524      2.00000
      4       5.0221      1.99999
      5       6.0469      1.78214
      6       7.3001      0.00006
      7       8.2579      0.00000
      8       9.2726      0.00000
      9      10.4512      0.00000
     10      10.9434      0.00000
     11      12.3304      0.00000
     12      13.1545      0.00000

 k-point    63 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -1.8547      2.00000
      2      -0.3944      2.00000
      3       4.2305      2.00000
      4       5.2818      1.99988
      5       5.5659      1.99801
      6       6.8015      0.00860
      7       8.5619      0.00000
      8       9.4175      0.00000
      9       9.9401      0.00000
     10      11.2853      0.00000
     11      11.9725      0.00000
     12      13.0390      0.00000

 k-point    64 :       0.0000    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6601      2.00000
      3       4.1146      2.00000
      4       4.8194      2.00000
      5       6.3926      0.40985
      6       7.4358      0.00002
      7       8.8205      0.00000
      8       9.4701      0.00000
      9       9.8948      0.00000
     10      10.9799      0.00000
     11      12.0675      0.00000
     12      12.5060      0.00000

 k-point    65 :       0.0769    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.0874      2.00000
      2       1.7021      2.00000
      3       4.0190      2.00000
      4       4.3367      2.00000
      5       6.9485      0.00198
      6       7.5963      0.00000
      7       8.6957      0.00000
      8       9.0945      0.00000
      9       9.9670      0.00000
     10      11.3574      0.00000
     11      11.4501      0.00000
     12      12.7761      0.00000

 k-point    66 :       0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8151      2.00000
      3       3.1509      2.00000
      4       4.3600      2.00000
      5       7.1867      0.00018
      6       8.0222      0.00000
      7       8.5024      0.00000
      8       9.1901      0.00000
      9       9.9004      0.00000
     10      10.6014      0.00000
     11      11.9379      0.00000
     12      13.1336      0.00000

 k-point    67 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8131      2.00000
      3       2.4037      2.00000
      4       4.5731      2.00000
      5       6.6593      0.03518
      6       7.9144      0.00000
      7       8.9564      0.00000
      8       9.4168      0.00000
      9       9.9120      0.00000
     10      10.6813      0.00000
     11      11.9760      0.00000
     12      12.8206      0.00000

 k-point    68 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1236      2.00000
      3       2.5056      2.00000
      4       4.8511      2.00000
      5       5.9059      1.94205
      6       8.0919      0.00000
      7       8.3535      0.00000
      8       9.6006      0.00000
      9      10.3429      0.00000
     10      11.5415      0.00000
     11      11.7855      0.00000
     12      12.8224      0.00000

 k-point    69 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.9630      2.00000
      2       0.3668      2.00000
      3       2.8559      2.00000
      4       4.9211      2.00000
      5       5.4884      1.99908
      6       7.5283      0.00001
      7       8.5230      0.00000
      8       9.9310      0.00000
      9      10.3441      0.00000
     10      11.2537      0.00000
     11      12.3439      0.00000
     12      12.8011      0.00000

 k-point    70 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -1.5940      2.00000
      2      -0.1891      2.00000
      3       3.1956      2.00000
      4       4.5138      2.00000
      5       5.7233      1.99043
      6       6.9977      0.00121
      7       8.8224      0.00000
      8       9.9964      0.00000
      9      10.3143      0.00000
     10      11.2904      0.00000
     11      11.8046      0.00000
     12      13.0853      0.00000

 k-point    71 :       0.0000    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7588      2.00000
      3       4.4434      2.00000
      4       5.1550      1.99997
      5       6.6816      0.02826
      6       7.5831      0.00000
      7       8.0347      0.00000
      8       8.5376      0.00000
      9      10.1160      0.00000
     10      11.3439      0.00000
     11      12.1168      0.00000
     12      12.3846      0.00000

 k-point    72 :       0.0769    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.7587      2.00000
      2       0.8027      2.00000
      3       4.3688      2.00000
      4       4.6341      2.00000
      5       7.2201      0.00013
      6       7.6018      0.00000
      7       7.8482      0.00000
      8       8.4811      0.00000
      9      10.5612      0.00000
     10      11.3375      0.00000
     11      11.6520      0.00000
     12      12.4241      0.00000

 k-point    73 :       0.1538    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9309      2.00000
      3       3.4623      2.00000
      4       4.6635      2.00000
      5       6.7398      0.01589
      6       7.8605      0.00000
      7       8.0768      0.00000
      8       9.1179      0.00000
      9      10.5310      0.00000
     10      11.1428      0.00000
     11      11.7035      0.00000
     12      12.8278      0.00000

 k-point    74 :       0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.3622      2.00000
      2       1.1225      2.00000
      3       2.5070      2.00000
      4       4.8508      2.00000
      5       5.9067      1.94161
      6       8.0917      0.00000
      7       8.3523      0.00000
      8       9.6022      0.00000
      9      10.3481      0.00000
     10      11.5338      0.00000
     11      11.7876      0.00000
     12      12.8196      0.00000

 k-point    75 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -2.0251      2.00000
      2       1.1881      2.00000
      3       1.8359      2.00000
      4       4.8112      2.00000
      5       5.4341      1.99947
      6       8.3995      0.00000
      7       8.4307      0.00000
      8       8.9543      0.00000
      9      11.1884      0.00000
     10      11.8072      0.00000
     11      12.0676      0.00000
     12      12.1254      0.00000

 k-point    76 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.6182      2.00000
      2       0.6291      2.00000
      3       1.9591      2.00000
      4       4.2137      2.00000
      5       5.7011      1.99233
      6       7.8204      0.00000
      7       8.8214      0.00000
      8       9.0849      0.00000
      9      10.8209      0.00000
     10      11.4651      0.00000
     11      12.1801      0.00000
     12      12.6134      0.00000

 k-point    77 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -1.2331      2.00000
      2       0.0800      2.00000
      3       2.2420      2.00000
      4       3.7358      2.00000
      5       6.0548      1.76625
      6       7.2791      0.00007
      7       9.1583      0.00000
      8       9.3741      0.00000
      9      10.3075      0.00000
     10      11.0864      0.00000
     11      12.4039      0.00000
     12      12.8553      0.00000

 k-point    78 :       0.0000    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0178      2.00000
      3       4.8474      2.00000
      4       5.5703      1.99792
      5       6.7524      0.01402
      6       7.4479      0.00001
      7       7.7226      0.00000
      8       7.8871      0.00000
      9       9.3442      0.00000
     10      11.6168      0.00000
     11      12.7645      0.00000
     12      13.0865      0.00000

 k-point    79 :       0.0769    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.3678      2.00000
      2       0.0263      2.00000
      3       4.8093      2.00000
      4       4.9841      1.99999
      5       6.8252      0.00679
      6       7.2123      0.00014
      7       7.8648      0.00000
      8       8.3031      0.00000
      9       9.7579      0.00000
     10      11.6927      0.00000
     11      12.0878      0.00000
     12      13.2322      0.00000

 k-point    80 :       0.1538    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.2155      2.00000
      2       0.1568      2.00000
      3       3.8540      2.00000
      4       5.0208      1.99999
      5       6.0497      1.77669
      6       7.2992      0.00006
      7       8.2572      0.00000
      8       9.2766      0.00000
      9      10.4522      0.00000
     10      10.9462      0.00000
     11      12.3380      0.00000
     12      13.1496      0.00000

 k-point    81 :       0.2308    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       0.3663      2.00000
      3       2.8568      2.00000
      4       4.9220      2.00000
      5       5.4882      1.99908
      6       7.5280      0.00001
      7       8.5223      0.00000
      8       9.9310      0.00000
      9      10.3460      0.00000
     10      11.2596      0.00000
     11      12.3454      0.00000
     12      12.8032      0.00000

 k-point    82 :       0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.6188      2.00000
      2       0.6291      2.00000
      3       1.9594      2.00000
      4       4.2145      2.00000
      5       5.7005      1.99237
      6       7.8208      0.00000
      7       8.8205      0.00000
      8       9.0852      0.00000
      9      10.8211      0.00000
     10      11.4648      0.00000
     11      12.1844      0.00000
     12      12.6178      0.00000

 k-point    83 :       0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -1.1970      2.00000
      2       0.7680      2.00000
      3       1.3396      2.00000
      4       3.5393      2.00000
      5       6.0839      1.69928
      6       8.0146      0.00000
      7       8.4361      0.00000
      8       9.2139      0.00000
      9      10.6950      0.00000
     10      10.9775      0.00000
     11      11.7560      0.00000
     12      13.9256      0.00000

 k-point    84 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -0.7816      2.00000
      2       0.3747      2.00000
      3       1.3944      2.00000
      4       3.0887      2.00000
      5       6.4750      0.20329
      6       7.5996      0.00000
      7       8.5595      0.00000
      8       9.5818      0.00000
      9      10.1427      0.00000
     10      10.7957      0.00000
     11      11.6491      0.00000
     12      13.8510      0.00000

 k-point    85 :       0.0000    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5643      2.00000
      3       5.2474      1.99992
      4       5.9932      1.86657
      5       6.3366      0.62193
      6       7.0995      0.00044
      7       7.6183      0.00000
      8       8.1129      0.00000
      9       8.6764      0.00000
     10      11.4446      0.00000
     11      13.1087      0.00000
     12      14.1388      0.00000

 k-point    86 :       0.0769    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.0141      2.00000
      2      -0.5214      2.00000
      3       5.2879      1.99988
      4       5.2953      1.99987
      5       6.1735      1.39523
      6       6.7910      0.00955
      7       8.3213      0.00000
      8       8.3797      0.00000
      9       9.0325      0.00000
     10      11.5697      0.00000
     11      12.3695      0.00000
     12      13.8867      0.00000

 k-point    87 :       0.1538    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.8567      2.00000
      2      -0.3942      2.00000
      3       4.2309      2.00000
      4       5.2818      1.99988
      5       5.5677      1.99797
      6       6.8016      0.00859
      7       8.5608      0.00000
      8       9.4166      0.00000
      9       9.9471      0.00000
     10      11.2866      0.00000
     11      11.9835      0.00000
     12      13.0382      0.00000

 k-point    88 :       0.2308    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.5958      2.00000
      2      -0.1886      2.00000
      3       3.1956      2.00000
      4       4.5165      2.00000
      5       5.7215      1.99060
      6       6.9985      0.00120
      7       8.8214      0.00000
      8       9.9925      0.00000
      9      10.3175      0.00000
     10      11.2979      0.00000
     11      11.8092      0.00000
     12      13.0932      0.00000

 k-point    89 :       0.3077    0.4615    0.0769
  band No.  band energies     occupation 
      1      -1.2346      2.00000
      2       0.0810      2.00000
      3       2.2415      2.00000
      4       3.7377      2.00000
      5       6.0531      1.76977
      6       7.2806      0.00007
      7       9.1580      0.00000
      8       9.3712      0.00000
      9      10.3109      0.00000
     10      11.0855      0.00000
     11      12.4056      0.00000
     12      12.8629      0.00000

 k-point    90 :       0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.7826      2.00000
      2       0.3762      2.00000
      3       1.3934      2.00000
      4       3.0895      2.00000
      5       6.4737      0.20552
      6       7.6019      0.00000
      7       8.5576      0.00000
      8       9.5797      0.00000
      9      10.1485      0.00000
     10      10.7915      0.00000
     11      11.6507      0.00000
     12      13.8548      0.00000

 k-point    91 :       0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -0.2975      2.00000
      2       0.5571      2.00000
      3       0.7575      2.00000
      4       2.6818      2.00000
      5       6.9189      0.00267
      6       7.8178      0.00000
      7       7.9636      0.00000
      8       9.7139      0.00000
      9      10.0872      0.00000
     10      10.8063      0.00000
     11      11.0584      0.00000
     12      13.7138      0.00000

 k-point    92 :       0.0000    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.2315      2.00000
      2       2.5786      2.00000
      3       3.0718      2.00000
      4       4.7231      2.00000
      5       6.4133      0.34675
      6       8.0435      0.00000
      7       8.6463      0.00000
      8       9.1607      0.00000
      9      10.4909      0.00000
     10      10.8537      0.00000
     11      11.8495      0.00000
     12      12.6381      0.00000

 k-point    93 :       0.0769    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.1818      2.00000
      2       2.6299      2.00000
      3       3.0710      2.00000
      4       4.1473      2.00000
      5       7.0929      0.00047
      6       8.0844      0.00000
      7       8.6949      0.00000
      8       9.1016      0.00000
      9       9.8210      0.00000
     10      10.4934      0.00000
     11      12.4886      0.00000
     12      13.1131      0.00000

 k-point    94 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1      -3.0337      2.00000
      2       2.7651      2.00000
      3       2.8092      2.00000
      4       3.5481      2.00000
      5       8.1195      0.00000
      6       8.1995      0.00000
      7       8.8202      0.00000
      8       8.8534      0.00000
      9       8.8810      0.00000
     10      10.1772      0.00000
     11      13.0619      0.00000
     12      13.7761      0.00000

 k-point    95 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.7901      2.00000
      2       1.9415      2.00000
      3       3.0419      2.00000
      4       3.6099      2.00000
      5       7.6263      0.00000
      6       7.9994      0.00000
      7       8.6151      0.00000
      8       9.0815      0.00000
      9       9.3092      0.00000
     10      10.5991      0.00000
     11      12.7748      0.00000
     12      13.6462      0.00000

 k-point    96 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.4585      2.00000
      2       1.0640      2.00000
      3       3.3983      2.00000
      4       3.8503      2.00000
      5       6.7322      0.01714
      6       7.3090      0.00005
      7       8.9213      0.00000
      8       9.3942      0.00000
      9       9.6692      0.00000
     10      11.8367      0.00000
     11      12.0267      0.00000
     12      12.9227      0.00000

 k-point    97 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1      -2.0621      2.00000
      2       0.2901      2.00000
      3       3.8494      2.00000
      4       4.1398      2.00000
      5       5.8986      1.94598
      6       6.6916      0.02560
      7       9.3564      0.00000
      8       9.6936      0.00000
      9       9.9387      0.00000
     10      11.2560      0.00000
     11      12.1485      0.00000
     12      12.9873      0.00000

 k-point    98 :       0.4615    0.1538    0.1538
  band No.  band energies     occupation 
      1      -1.6976      2.00000
      2      -0.2655      2.00000
      3       4.3446      2.00000
      4       4.3869      2.00000
      5       5.1935      1.99995
      6       6.2915      0.82928
      7       9.8230      0.00000
      8       9.8896      0.00000
      9      10.2697      0.00000
     10      10.5551      0.00000
     11      11.5866      0.00000
     12      12.9196      0.00000

 k-point    99 :       0.0000    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7696      2.00000
      3       3.1263      2.00000
      4       4.9659      2.00000
      5       6.5711      0.08291
      6       7.9143      0.00000
      7       8.5928      0.00000
      8       9.6064      0.00000
      9      10.0245      0.00000
     10      10.9333      0.00000
     11      11.3398      0.00000
     12      12.6401      0.00000

 k-point   100 :       0.0769    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.9391      2.00000
      2       1.8144      2.00000
      3       3.1488      2.00000
      4       4.3632      2.00000
      5       7.1903      0.00018
      6       8.0214      0.00000
      7       8.4973      0.00000
      8       9.1911      0.00000
      9       9.9010      0.00000
     10      10.6024      0.00000
     11      11.9430      0.00000
     12      13.1344      0.00000

 k-point   101 :       0.1538    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.7904      2.00000
      2       1.9391      2.00000
      3       3.0444      2.00000
      4       3.6099      2.00000
      5       7.6299      0.00000
      6       7.9952      0.00000
      7       8.6173      0.00000
      8       9.0843      0.00000
      9       9.3092      0.00000
     10      10.5933      0.00000
     11      12.7795      0.00000
     12      13.6533      0.00000

 k-point   102 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.5455      2.00000
      2       1.9684      2.00000
      3       2.4551      2.00000
      4       3.6317      2.00000
      5       6.8640      0.00462
      6       7.9181      0.00000
      7       8.5389      0.00000
      8       9.0996      0.00000
      9      10.0723      0.00000
     10      10.9311      0.00000
     11      13.0620      0.00000
     12      13.0793      0.00000

 k-point   103 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1      -2.2117      2.00000
      2       1.2635      2.00000
      3       2.6057      2.00000
      4       3.8884      2.00000
      5       6.0113      1.84222
      6       7.3195      0.00005
      7       8.6478      0.00000
      8       9.4149      0.00000
      9      10.6285      0.00000
     10      11.8691      0.00000
     11      12.3505      0.00000
     12      12.6888      0.00000

 k-point   104 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.8107      2.00000
      2       0.5035      2.00000
      3       2.9791      2.00000
      4       4.1976      2.00000
      5       5.2611      1.99991
      6       6.6661      0.03291
      7       8.9720      0.00000
      8       9.7740      0.00000
      9      10.8981      0.00000
     10      11.3842      0.00000
     11      12.0351      0.00000
     12      13.5857      0.00000

 k-point   105 :       0.4615    0.2308    0.1538
  band No.  band energies     occupation 
      1      -1.4373      2.00000
      2      -0.0565      2.00000
      3       3.3416      2.00000
      4       4.4066      2.00000
      5       4.7655      2.00000
      6       6.2235      1.16645
      7       9.2548      0.00000
      8      10.1347      0.00000
      9      10.8059      0.00000
     10      11.1123      0.00000
     11      11.5723      0.00000
     12      13.5004      0.00000

 k-point   106 :       0.0000    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8856      2.00000
      3       3.4289      2.00000
      4       5.3012      1.99986
      5       6.4583      0.23591
      6       7.4687      0.00001
      7       8.6812      0.00000
      8       8.8178      0.00000
      9      10.6488      0.00000
     10      11.2459      0.00000
     11      11.4988      0.00000
     12      12.5256      0.00000

 k-point   107 :       0.0769    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.6091      2.00000
      2       0.9306      2.00000
      3       3.4598      2.00000
      4       4.6666      2.00000
      5       6.7381      0.01616
      6       7.8647      0.00000
      7       8.0791      0.00000
      8       9.1129      0.00000
      9      10.5320      0.00000
     10      11.1439      0.00000
     11      11.7067      0.00000
     12      12.8227      0.00000

 k-point   108 :       0.1538    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.4592      2.00000
      2       1.0624      2.00000
      3       3.4005      2.00000
      4       3.8497      2.00000
      5       6.7345      0.01675
      6       7.3067      0.00006
      7       8.9241      0.00000
      8       9.3974      0.00000
      9       9.6708      0.00000
     10      11.8046      0.00000
     11      12.0546      0.00000
     12      12.9311      0.00000

 k-point   109 :       0.2308    0.3077    0.1538
  band No.  band energies     occupation 
      1      -2.2120      2.00000
      2       1.2623      2.00000
      3       2.6073      2.00000
      4       3.8879      2.00000
      5       6.0124      1.84060
      6       7.3178      0.00005
      7       8.6494      0.00000
      8       9.4150      0.00000
      9      10.6349      0.00000
     10      11.8623      0.00000
     11      12.3434      0.00000
     12      12.6971      0.00000

 k-point   110 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       1.3444      2.00000
      3       1.9422      2.00000
      4       4.1189      2.00000
      5       5.2392      1.99992
      6       7.3390      0.00004
      7       8.0484      0.00000
      8       9.7309      0.00000
      9      11.2763      0.00000
     10      11.8873      0.00000
     11      12.5373      0.00000
     12      12.7945      0.00000

 k-point   111 :       0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.4656      2.00000
      2       0.7736      2.00000
      3       2.0902      2.00000
      4       4.1377      2.00000
      5       4.8451      2.00000
      6       6.8531      0.00514
      7       8.1223      0.00000
      8      10.0383      0.00000
      9      10.6837      0.00000
     10      12.0008      0.00000
     11      12.8463      0.00000
     12      13.3144      0.00000

 k-point   112 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -1.0767      2.00000
      2       0.2183      2.00000
      3       2.3916      2.00000
      4       3.7743      2.00000
      5       5.0137      1.99999
      6       6.3864      0.43057
      7       8.3416      0.00000
      8      10.0577      0.00000
      9      10.5406      0.00000
     10      11.6787      0.00000
     11      13.0080      0.00000
     12      13.6647      0.00000

 k-point   113 :       0.0000    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1118      2.00000
      3       3.8128      2.00000
      4       5.7163      1.99108
      5       5.9133      1.93769
      6       7.5829      0.00000
      7       7.8681      0.00000
      8       8.9538      0.00000
      9      10.1189      0.00000
     10      11.6301      0.00000
     11      12.2061      0.00000
     12      12.8448      0.00000

 k-point   114 :       0.0769    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.2157      2.00000
      2       0.1566      2.00000
      3       3.8515      2.00000
      4       5.0236      1.99999
      5       6.0472      1.78160
      6       7.3028      0.00006
      7       8.2629      0.00000
      8       9.2717      0.00000
      9      10.4531      0.00000
     10      10.9461      0.00000
     11      12.3364      0.00000
     12      13.1490      0.00000

 k-point   115 :       0.1538    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.0633      2.00000
      2       0.2893      2.00000
      3       3.8512      2.00000
      4       4.1383      2.00000
      5       5.9014      1.94450
      6       6.6903      0.02593
      7       9.3590      0.00000
      8       9.6957      0.00000
      9       9.9403      0.00000
     10      11.2581      0.00000
     11      12.1564      0.00000
     12      12.9816      0.00000

 k-point   116 :       0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.8117      2.00000
      2       0.5030      2.00000
      3       2.9801      2.00000
      4       4.1967      2.00000
      5       5.2631      1.99990
      6       6.6649      0.03331
      7       8.9730      0.00000
      8       9.7733      0.00000
      9      10.9040      0.00000
     10      11.3876      0.00000
     11      12.0344      0.00000
     12      13.5779      0.00000

 k-point   117 :       0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.4662      2.00000
      2       0.7736      2.00000
      3       2.0905      2.00000
      4       4.1381      2.00000
      5       4.8453      2.00000
      6       6.8526      0.00517
      7       8.1227      0.00000
      8      10.0376      0.00000
      9      10.6856      0.00000
     10      12.0015      0.00000
     11      12.8516      0.00000
     12      13.3135      0.00000

 k-point   118 :       0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -1.0436      2.00000
      2       0.9248      2.00000
      3       1.4701      2.00000
      4       3.5894      2.00000
      5       5.0878      1.99998
      6       6.9434      0.00209
      7       7.5403      0.00001
      8       9.8478      0.00000
      9      10.6264      0.00000
     10      12.2759      0.00000
     11      12.9054      0.00000
     12      14.0776      0.00000

 k-point   119 :       0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -0.6256      2.00000
      2       0.5219      2.00000
      3       1.5457      2.00000
      4       3.1490      2.00000
      5       5.4297      1.99949
      6       6.6098      0.05707
      7       7.5325      0.00001
      8       9.4947      0.00000
      9      10.9387      0.00000
     10      11.9967      0.00000
     11      12.9253      0.00000
     12      14.5558      0.00000

 k-point   120 :       0.0000    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.9094      2.00000
      2      -0.4379      2.00000
      3       4.1812      2.00000
      4       5.4031      1.99961
      5       6.1385      1.53208
      6       7.2463      0.00010
      7       7.8016      0.00000
      8       8.9594      0.00000
      9       9.8262      0.00000
     10      11.9842      0.00000
     11      11.9847      0.00000
     12      13.3957      0.00000

 k-point   121 :       0.0769    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.8569      2.00000
      2      -0.3944      2.00000
      3       4.2285      2.00000
      4       5.2813      1.99988
      5       5.5680      1.99797
      6       6.8055      0.00827
      7       8.5673      0.00000
      8       9.4161      0.00000
      9       9.9422      0.00000
     10      11.2866      0.00000
     11      11.9821      0.00000
     12      13.0377      0.00000

 k-point   122 :       0.1538    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.6997      2.00000
      2      -0.2652      2.00000
      3       4.3600      2.00000
      4       4.3689      2.00000
      5       5.1986      1.99995
      6       6.2910      0.83203
      7       9.8307      0.00000
      8       9.8831      0.00000
      9      10.2689      0.00000
     10      10.5627      0.00000
     11      11.5961      0.00000
     12      12.9162      0.00000

 k-point   123 :       0.2308    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.4392      2.00000
      2      -0.0560      2.00000
      3       3.3414      2.00000
      4       4.4063      2.00000
      5       4.7677      2.00000
      6       6.2228      1.16962
      7       9.2550      0.00000
      8      10.1315      0.00000
      9      10.8126      0.00000
     10      11.1139      0.00000
     11      11.5784      0.00000
     12      13.5046      0.00000

 k-point   124 :       0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -1.0783      2.00000
      2       0.2194      2.00000
      3       2.3909      2.00000
      4       3.7760      2.00000
      5       5.0130      1.99999
      6       6.3864      0.43039
      7       8.3414      0.00000
      8      10.0576      0.00000
      9      10.5429      0.00000
     10      11.6777      0.00000
     11      13.0153      0.00000
     12      13.6653      0.00000

 k-point   125 :       0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.6267      2.00000
      2       0.5235      2.00000
      3       1.5445      2.00000
      4       3.1499      2.00000
      5       5.4291      1.99949
      6       6.6106      0.05666
      7       7.5319      0.00001
      8       9.4953      0.00000
      9      10.9390      0.00000
     10      11.9959      0.00000
     11      12.9256      0.00000
     12      14.5638      0.00000

 k-point   126 :       0.4615    0.4615    0.1538
  band No.  band energies     occupation 
      1      -0.1416      2.00000
      2       0.7141      2.00000
      3       0.9100      2.00000
      4       2.7416      2.00000
      5       5.8752      1.95701
      6       6.7442      0.01521
      7       6.9306      0.00237
      8       9.1426      0.00000
      9      11.3837      0.00000
     10      12.1301      0.00000
     11      12.3504      0.00000
     12      14.6294      0.00000

 k-point   127 :       0.0000    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.7450      2.00000
      2       1.7579      2.00000
      3       2.3765      2.00000
      4       5.2086      1.99994
      5       6.3589      0.53086
      6       7.4642      0.00001
      7       9.7060      0.00000
      8       9.7307      0.00000
      9      10.0302      0.00000
     10      10.3536      0.00000
     11      11.2994      0.00000
     12      12.4517      0.00000

 k-point   128 :       0.0769    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.6950      2.00000
      2       1.8098      2.00000
      3       2.4047      2.00000
      4       4.5762      2.00000
      5       6.6584      0.03549
      6       7.9191      0.00000
      7       8.9547      0.00000
      8       9.4219      0.00000
      9       9.9059      0.00000
     10      10.6804      0.00000
     11      11.9813      0.00000
     12      12.8270      0.00000

 k-point   129 :       0.1538    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.5458      2.00000
      2       1.9653      2.00000
      3       2.4567      2.00000
      4       3.6336      2.00000
      5       6.8626      0.00468
      6       7.9178      0.00000
      7       8.5420      0.00000
      8       9.1058      0.00000
      9      10.0665      0.00000
     10      10.9291      0.00000
     11      13.0697      0.00000
     12      13.0779      0.00000

 k-point   130 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1      -2.2998      2.00000
      2       2.2040      2.00000
      3       2.2488      2.00000
      4       3.0642      2.00000
      5       6.8726      0.00423
      6       6.9264      0.00248
      7       7.9361      0.00000
      8      10.3015      0.00000
      9      10.3359      0.00000
     10      11.1692      0.00000
     11      12.3425      0.00000
     12      13.7476      0.00000

 k-point   131 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.9640      2.00000
      2       1.4820      2.00000
      3       2.5848      2.00000
      4       3.1534      2.00000
      5       5.9546      1.90731
      6       6.5482      0.10318
      7       7.8186      0.00000
      8      10.6581      0.00000
      9      10.8557      0.00000
     10      11.3788      0.00000
     11      12.5453      0.00000
     12      13.5730      0.00000

 k-point   132 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.5591      2.00000
      2       0.7247      2.00000
      3       3.0401      2.00000
      4       3.3943      2.00000
      5       5.1058      1.99998
      6       6.0288      1.81478
      7       8.0342      0.00000
      8      10.4474      0.00000
      9      11.0931      0.00000
     10      11.5104      0.00000
     11      12.9342      0.00000
     12      13.9412      0.00000

 k-point   133 :       0.4615    0.2308    0.2308
  band No.  band energies     occupation 
      1      -1.1773      2.00000
      2       0.1588      2.00000
      3       3.5487      2.00000
      4       3.6003      2.00000
      5       4.3903      2.00000
      6       5.6747      1.99410
      7       8.2580      0.00000
      8      10.0621      0.00000
      9      11.5895      0.00000
     10      11.6422      0.00000
     11      12.2859      0.00000
     12      14.0111      0.00000

 k-point   134 :       0.0000    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.4129      2.00000
      2       1.0739      2.00000
      3       2.4677      2.00000
      4       5.5436      1.99841
      5       5.7111      1.99153
      6       7.5462      0.00001
      7       8.9140      0.00000
      8      10.0081      0.00000
      9      10.2124      0.00000
     10      11.0934      0.00000
     11      11.4347      0.00000
     12      12.6303      0.00000

 k-point   135 :       0.0769    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.3626      2.00000
      2       1.1214      2.00000
      3       2.5057      2.00000
      4       4.8535      2.00000
      5       5.9048      1.94265
      6       8.0962      0.00000
      7       8.3564      0.00000
      8       9.6044      0.00000
      9      10.3411      0.00000
     10      11.5304      0.00000
     11      11.7966      0.00000
     12      12.8256      0.00000

 k-point   136 :       0.1538    0.3077    0.2308
  band No.  band energies     occupation 
      1      -2.2123      2.00000
      2       1.2616      2.00000
      3       2.6062      2.00000
      4       3.8900      2.00000
      5       6.0105      1.84332
      6       7.3197      0.00005
      7       8.6512      0.00000
      8       9.4210      0.00000
      9      10.6275      0.00000
     10      11.8581      0.00000
     11      12.3523      0.00000
     12      12.6991      0.00000

 k-point   137 :       0.2308    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       1.4806      2.00000
      3       2.5867      2.00000
      4       3.1530      2.00000
      5       5.9559      1.90620
      6       6.5462      0.10519
      7       7.8205      0.00000
      8      10.6607      0.00000
      9      10.8615      0.00000
     10      11.3747      0.00000
     11      12.5375      0.00000
     12      13.5802      0.00000

 k-point   138 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.6251      2.00000
      2       1.6039      2.00000
      3       2.0813      2.00000
      4       3.2279      2.00000
      5       5.3107      1.99984
      6       6.3079      0.75110
      7       7.2559      0.00009
      8      10.3469      0.00000
      9      11.2276      0.00000
     10      12.2143      0.00000
     11      13.0077      0.00000
     12      13.9538      0.00000

 k-point   139 :       0.3846    0.3077    0.2308
  band No.  band energies     occupation 
      1      -1.2134      2.00000
      2       1.0094      2.00000
      3       2.2955      2.00000
      4       3.5080      2.00000
      5       4.5837      2.00000
      6       5.9198      1.93367
      7       7.2065      0.00015
      8       9.7496      0.00000
      9      11.6139      0.00000
     10      12.7711      0.00000
     11      13.6222      0.00000
     12      14.2408      0.00000

 k-point   140 :       0.4615    0.3077    0.2308
  band No.  band energies     occupation 
      1      -0.8174      2.00000
      2       0.4440      2.00000
      3       2.6374      2.00000
      4       3.7126      2.00000
      5       4.0838      2.00000
      6       5.5509      1.99829
      7       7.3388      0.00004
      8       9.3705      0.00000
      9      11.9771      0.00000
     10      12.8739      0.00000
     11      13.3018      0.00000
     12      14.8999      0.00000

 k-point   141 :       0.0000    0.3846    0.2308
  band No.  band energies     occupation 
      1      -2.0154      2.00000
      2       0.3195      2.00000
      3       2.8117      2.00000
      4       5.0232      1.99999
      5       5.9581      1.90417
      6       7.8141      0.00000
      7       8.1076      0.00000
      8       9.7715      0.00000
      9      10.5949      0.00000
     10      11.1180      0.00000
     11      12.1673      0.00000
     12      12.9265      0.00000

 k-point   142 :       0.0769    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       0.3657      2.00000
      3       2.8551      2.00000
      4       4.9213      2.00000
      5       5.4892      1.99908
      6       7.5317      0.00001
      7       8.5286      0.00000
      8       9.9341      0.00000
      9      10.3440      0.00000
     10      11.2551      0.00000
     11      12.3481      0.00000
     12      12.8048      0.00000

 k-point   143 :       0.1538    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.8120      2.00000
      2       0.5026      2.00000
      3       2.9786      2.00000
      4       4.1985      2.00000
      5       5.2614      1.99991
      6       6.6673      0.03253
      7       8.9744      0.00000
      8       9.7800      0.00000
      9      10.8974      0.00000
     10      11.3871      0.00000
     11      12.0374      0.00000
     12      13.5821      0.00000

 k-point   144 :       0.2308    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.5601      2.00000
      2       0.7243      2.00000
      3       3.0415      2.00000
      4       3.3930      2.00000
      5       5.1080      1.99998
      6       6.0273      1.81743
      7       8.0359      0.00000
      8      10.4496      0.00000
      9      11.0977      0.00000
     10      11.5109      0.00000
     11      12.9339      0.00000
     12      13.9372      0.00000

 k-point   145 :       0.3077    0.3846    0.2308
  band No.  band energies     occupation 
      1      -1.2141      2.00000
      2       1.0094      2.00000
      3       2.2958      2.00000
      4       3.5075      2.00000
      5       4.5851      2.00000
      6       5.9185      1.93450
      7       7.2075      0.00015
      8       9.7505      0.00000
      9      11.6139      0.00000
     10      12.7767      0.00000
     11      13.6196      0.00000
     12      14.2378      0.00000

 k-point   146 :       0.3846    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.7898      2.00000
      2       1.1852      2.00000
      3       1.6788      2.00000
      4       3.5569      2.00000
      5       4.2326      2.00000
      6       5.9071      1.94135
      7       6.6359      0.04427
      8       9.1724      0.00000
      9      12.0182      0.00000
     10      13.6296      0.00000
     11      14.2003      0.00000
     12      14.3562      0.00000

 k-point   147 :       0.4615    0.3846    0.2308
  band No.  band energies     occupation 
      1      -0.3670      2.00000
      2       0.7638      2.00000
      3       1.7956      2.00000
      4       3.2299      2.00000
      5       4.4134      2.00000
      6       5.6398      1.99584
      7       6.5261      0.12712
      8       8.8306      0.00000
      9      12.3985      0.00000
     10      13.3736      0.00000
     11      14.3278      0.00000
     12      14.8136      0.00000

 k-point   148 :       0.0000    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.6488      2.00000
      2      -0.2338      2.00000
      3       3.1447      2.00000
      4       4.5135      2.00000
      5       6.3794      0.45477
      6       7.4880      0.00001
      7       8.0621      0.00000
      8       9.4693      0.00000
      9      10.9551      0.00000
     10      11.2478      0.00000
     11      12.3651      0.00000
     12      12.4810      0.00000

 k-point   149 :       0.0769    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.5963      2.00000
      2      -0.1890      2.00000
      3       3.1939      2.00000
      4       4.5141      2.00000
      5       5.7235      1.99042
      6       7.0029      0.00115
      7       8.8280      0.00000
      8       9.9990      0.00000
      9      10.3158      0.00000
     10      11.2882      0.00000
     11      11.8119      0.00000
     12      13.0849      0.00000

 k-point   150 :       0.1538    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.4395      2.00000
      2      -0.0563      2.00000
      3       3.3400      2.00000
      4       4.4059      2.00000
      5       4.7681      2.00000
      6       6.2253      1.15728
      7       9.2562      0.00000
      8      10.1404      0.00000
      9      10.8110      0.00000
     10      11.1103      0.00000
     11      11.5769      0.00000
     12      13.5003      0.00000

 k-point   151 :       0.2308    0.4615    0.2308
  band No.  band energies     occupation 
      1      -1.1794      2.00000
      2       0.1595      2.00000
      3       3.5570      2.00000
      4       3.5894      2.00000
      5       4.3949      2.00000
      6       5.6737      1.99416
      7       8.2591      0.00000
      8      10.0650      0.00000
      9      11.6007      0.00000
     10      11.6339      0.00000
     11      12.2917      0.00000
     12      14.0118      0.00000

 k-point   152 :       0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.8191      2.00000
      2       0.4452      2.00000
      3       2.6365      2.00000
      4       3.7119      2.00000
      5       4.0864      2.00000
      6       5.5497      1.99831
      7       7.3396      0.00004
      8       9.3720      0.00000
      9      11.9763      0.00000
     10      12.8750      0.00000
     11      13.3086      0.00000
     12      14.9057      0.00000

 k-point   153 :       0.3846    0.4615    0.2308
  band No.  band energies     occupation 
      1      -0.3682      2.00000
      2       0.7656      2.00000
      3       1.7942      2.00000
      4       3.2308      2.00000
      5       4.4134      2.00000
      6       5.6392      1.99586
      7       6.5264      0.12670
      8       8.8312      0.00000
      9      12.3980      0.00000
     10      13.3742      0.00000
     11      14.3271      0.00000
     12      14.8206      0.00000

 k-point   154 :       0.4615    0.4615    0.2308
  band No.  band energies     occupation 
      1       0.1170      2.00000
      2       0.9749      2.00000
      3       1.1620      2.00000
      4       2.8314      2.00000
      5       4.8512      2.00000
      6       5.7056      1.99197
      7       5.9176      1.93507
      8       8.5230      0.00000
      9      12.8450      0.00000
     10      13.5718      0.00000
     11      13.7783      0.00000
     12      15.8028      0.00000

 k-point   155 :       0.0000    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0765      2.00000
      2       1.1327      2.00000
      3       1.7996      2.00000
      4       4.9110      2.00000
      5       5.8785      1.95562
      6       7.8041      0.00000
      7       9.1168      0.00000
      8       9.4031      0.00000
      9      10.4724      0.00000
     10      11.3173      0.00000
     11      11.9578      0.00000
     12      12.7756      0.00000

 k-point   156 :       0.0769    0.3077    0.3077
  band No.  band energies     occupation 
      1      -2.0260      2.00000
      2       1.1850      2.00000
      3       1.8371      2.00000
      4       4.8109      2.00000
      5       5.4352      1.99946
      6       8.4048      0.00000
      7       8.4311      0.00000
      8       8.9604      0.00000
      9      11.1859      0.00000
     10      11.8066      0.00000
     11      12.0751      0.00000
     12      12.1231      0.00000

 k-point   157 :       0.1538    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.8749      2.00000
      2       1.3413      2.00000
      3       1.9437      2.00000
      4       4.1206      2.00000
      5       5.2379      1.99993
      6       7.3394      0.00004
      7       8.0522      0.00000
      8       9.7377      0.00000
      9      11.2778      0.00000
     10      11.8771      0.00000
     11      12.5412      0.00000
     12      12.7987      0.00000

 k-point   158 :       0.2308    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.6256      2.00000
      2       1.6010      2.00000
      3       2.0835      2.00000
      4       3.2286      2.00000
      5       5.3099      1.99985
      6       6.3079      0.75132
      7       7.2580      0.00009
      8      10.3482      0.00000
      9      11.2346      0.00000
     10      12.2058      0.00000
     11      13.0068      0.00000
     12      13.9589      0.00000

 k-point   159 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -1.2836      2.00000
      2       1.9423      2.00000
      3       1.9873      2.00000
      4       2.6960      2.00000
      5       5.3321      1.99981
      6       5.3800      1.99969
      7       6.6489      0.03896
      8       9.6501      0.00000
      9      12.5449      0.00000
     10      12.5829      0.00000
     11      13.5021      0.00000
     12      14.7094      0.00000

 k-point   160 :       0.3846    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.8665      2.00000
      2       1.3207      2.00000
      3       2.4214      2.00000
      4       2.8167      2.00000
      5       4.5001      2.00000
      6       5.2020      1.99995
      7       6.4034      0.37581
      8       9.0724      0.00000
      9      12.9845      0.00000
     10      13.3091      0.00000
     11      14.6419      0.00000
     12      14.6797      0.00000

 k-point   161 :       0.4615    0.3077    0.3077
  band No.  band energies     occupation 
      1      -0.4582      2.00000
      2       0.7458      2.00000
      3       2.9347      2.00000
      4       3.0022      2.00000
      5       3.7817      2.00000
      6       4.9679      1.99999
      7       6.4157      0.33979
      8       8.7326      0.00000
      9      13.4572      0.00000
     10      13.5787      0.00000
     11      14.1432      0.00000
     12      15.4879      0.00000

 k-point   162 :       0.0000    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6708      2.00000
      2       0.5791      2.00000
      3       1.9144      2.00000
      4       4.2055      2.00000
      5       6.2924      0.82521
      6       8.1297      0.00000
      7       8.4316      0.00000
      8       9.6686      0.00000
      9      10.1352      0.00000
     10      11.5194      0.00000
     11      11.9924      0.00000
     12      12.4923      0.00000

 k-point   163 :       0.0769    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.6197      2.00000
      2       0.6277      2.00000
      3       1.9589      2.00000
      4       4.2129      2.00000
      5       5.7025      1.99222
      6       7.8237      0.00000
      7       8.8270      0.00000
      8       9.0887      0.00000
      9      10.8232      0.00000
     10      11.4673      0.00000
     11      12.1851      0.00000
     12      12.6119      0.00000

 k-point   164 :       0.1538    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.4670      2.00000
      2       0.7724      2.00000
      3       2.0902      2.00000
      4       4.1377      2.00000
      5       4.8456      2.00000
      6       6.8547      0.00506
      7       8.1254      0.00000
      8      10.0445      0.00000
      9      10.6861      0.00000
     10      12.0013      0.00000
     11      12.8468      0.00000
     12      13.3182      0.00000

 k-point   165 :       0.2308    0.3846    0.3077
  band No.  band energies     occupation 
      1      -1.2145      2.00000
      2       1.0086      2.00000
      3       2.2957      2.00000
      4       3.5083      2.00000
      5       4.5840      2.00000
      6       5.9197      1.93373
      7       7.2089      0.00015
      8       9.7515      0.00000
      9      11.6206      0.00000
     10      12.7685      0.00000
     11      13.6213      0.00000
     12      14.2437      0.00000

 k-point   166 :       0.3077    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.8672      2.00000
      2       1.3206      2.00000
      3       2.4225      2.00000
      4       2.8154      2.00000
      5       4.5019      2.00000
      6       5.1999      1.99995
      7       6.4049      0.37124
      8       9.0732      0.00000
      9      12.9897      0.00000
     10      13.3089      0.00000
     11      14.5927      0.00000
     12      14.7260      0.00000

 k-point   167 :       0.3846    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.4398      2.00000
      2       1.5473      2.00000
      3       1.9390      2.00000
      4       2.9883      2.00000
      5       4.0277      2.00000
      6       4.9523      2.00000
      7       5.8215      1.97465
      8       8.5462      0.00000
      9      13.5350      0.00000
     10      14.5158      0.00000
     11      15.1146      0.00000
     12      15.2270      0.00000

 k-point   168 :       0.4615    0.3846    0.3077
  band No.  band energies     occupation 
      1      -0.0085      2.00000
      2       1.0921      2.00000
      3       2.1387      2.00000
      4       3.2176      2.00000
      5       3.5678      2.00000
      6       4.7747      2.00000
      7       5.6006      1.99718
      8       8.2496      0.00000
      9      13.9391      0.00000
     10      14.7580      0.00000
     11      15.1597      0.00000
     12      15.7481      0.00000

 k-point   169 :       0.0000    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2879      2.00000
      2       0.0335      2.00000
      3       2.1906      2.00000
      4       3.7181      2.00000
      5       6.7130      0.02072
      6       7.8174      0.00000
      7       8.4149      0.00000
      8       9.7702      0.00000
      9      10.0292      0.00000
     10      11.4241      0.00000
     11      11.6731      0.00000
     12      12.7818      0.00000

 k-point   170 :       0.0769    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.2356      2.00000
      2       0.0801      2.00000
      3       2.2407      2.00000
      4       3.7357      2.00000
      5       6.0545      1.76698
      6       7.2849      0.00007
      7       9.1639      0.00000
      8       9.3765      0.00000
      9      10.3121      0.00000
     10      11.0883      0.00000
     11      12.4084      0.00000
     12      12.8523      0.00000

 k-point   171 :       0.1538    0.4615    0.3077
  band No.  band energies     occupation 
      1      -1.0791      2.00000
      2       0.2187      2.00000
      3       2.3904      2.00000
      4       3.7744      2.00000
      5       5.0140      1.99999
      6       6.3894      0.42058
      7       8.3438      0.00000
      8      10.0619      0.00000
      9      10.5458      0.00000
     10      11.6818      0.00000
     11      13.0071      0.00000
     12      13.6681      0.00000

 k-point   172 :       0.2308    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.8197      2.00000
      2       0.4448      2.00000
      3       2.6363      2.00000
      4       3.7116      2.00000
      5       4.0862      2.00000
      6       5.5513      1.99828
      7       7.3407      0.00004
      8       9.3729      0.00000
      9      11.9831      0.00000
     10      12.8751      0.00000
     11      13.3037      0.00000
     12      14.8979      0.00000

 k-point   173 :       0.3077    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.4602      2.00000
      2       0.7473      2.00000
      3       2.9394      2.00000
      4       2.9945      2.00000
      5       3.7859      2.00000
      6       4.9659      2.00000
      7       6.4173      0.33517
      8       8.7339      0.00000
      9      13.4636      0.00000
     10      13.5754      0.00000
     11      14.1482      0.00000
     12      15.4881      0.00000

 k-point   174 :       0.3846    0.4615    0.3077
  band No.  band energies     occupation 
      1      -0.0099      2.00000
      2       1.0944      2.00000
      3       2.1367      2.00000
      4       3.2168      2.00000
      5       3.5705      2.00000
      6       4.7727      2.00000
      7       5.6019      1.99715
      8       8.2500      0.00000
      9      13.9384      0.00000
     10      14.7596      0.00000
     11      15.1655      0.00000
     12      15.7469      0.00000

 k-point   175 :       0.4615    0.4615    0.3077
  band No.  band energies     occupation 
      1       0.4758      2.00000
      2       1.3376      2.00000
      3       1.5082      2.00000
      4       2.9331      2.00000
      5       3.9096      2.00000
      6       4.7490      2.00000
      7       4.9852      1.99999
      8       7.9839      0.00000
      9      14.3840      0.00000
     10      15.0538      0.00000
     11      15.2625      0.00000
     12      16.3995      0.00000

 k-point   176 :       0.0000    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.2500      2.00000
      2       0.7126      2.00000
      3       1.2971      2.00000
      4       3.5171      2.00000
      5       6.7066      0.02207
      6       8.5057      0.00000
      7       8.7239      0.00000
      8       8.9596      0.00000
      9      10.1886      0.00000
     10      11.0419      0.00000
     11      11.1913      0.00000
     12      13.5208      0.00000

 k-point   177 :       0.0769    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.1987      2.00000
      2       0.7650      2.00000
      3       1.3413      2.00000
      4       3.5381      2.00000
      5       6.0851      1.69609
      6       8.0154      0.00000
      7       8.4429      0.00000
      8       9.2201      0.00000
      9      10.6976      0.00000
     10      10.9804      0.00000
     11      11.7590      0.00000
     12      13.9247      0.00000

 k-point   178 :       0.1538    0.3846    0.3846
  band No.  band energies     occupation 
      1      -1.0451      2.00000
      2       0.9219      2.00000
      3       1.4720      2.00000
      4       3.5885      2.00000
      5       5.0885      1.99998
      6       6.9440      0.00208
      7       7.5452      0.00001
      8       9.8513      0.00000
      9      10.6310      0.00000
     10      12.2788      0.00000
     11      12.9094      0.00000
     12      14.0760      0.00000

 k-point   179 :       0.2308    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.7910      2.00000
      2       1.1825      2.00000
      3       1.6812      2.00000
      4       3.5569      2.00000
      5       4.2322      2.00000
      6       5.9073      1.94126
      7       6.6393      0.04283
      8       9.1740      0.00000
      9      12.0248      0.00000
     10      13.6288      0.00000
     11      14.1968      0.00000
     12      14.3645      0.00000

 k-point   180 :       0.3077    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.4405      2.00000
      2       1.5448      2.00000
      3       1.9421      2.00000
      4       2.9878      2.00000
      5       4.0273      2.00000
      6       4.9520      2.00000
      7       5.8234      1.97418
      8       8.5469      0.00000
      9      13.5429      0.00000
     10      14.5048      0.00000
     11      15.1222      0.00000
     12      15.2246      0.00000

 k-point   181 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -0.0067      2.00000
      2       1.9834      2.00000
      3       2.0276      2.00000
      4       2.4585      2.00000
      5       4.0721      2.00000
      6       4.1173      2.00000
      7       5.1656      1.99996
      8       8.0757      0.00000
      9      14.9434      0.00000
     10      14.9803      0.00000
     11      15.8012      0.00000
     12      15.9526      0.00000

 k-point   182 :       0.4615    0.3846    0.3846
  band No.  band energies     occupation 
      1       0.4408      2.00000
      2       1.4825      2.00000
      3       2.5195      2.00000
      4       2.5982      2.00000
      5       3.3739      2.00000
      6       4.1241      2.00000
      7       4.7851      2.00000
      8       7.8188      0.00000
      9      15.3993      0.00000
     10      15.6113      0.00000
     11      15.9900      0.00000
     12      16.8436      0.00000

 k-point   183 :       0.0000    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.8368      2.00000
      2       0.3252      2.00000
      3       1.3435      2.00000
      4       3.0666      2.00000
      5       7.1288      0.00033
      6       8.2105      0.00000
      7       8.8528      0.00000
      8       9.2190      0.00000
      9       9.9511      0.00000
     10      10.6208      0.00000
     11      10.9028      0.00000
     12      13.4412      0.00000

 k-point   184 :       0.0769    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.7846      2.00000
      2       0.3746      2.00000
      3       1.3941      2.00000
      4       3.0882      2.00000
      5       6.4738      0.20552
      6       7.6057      0.00000
      7       8.5633      0.00000
      8       9.5873      0.00000
      9      10.1476      0.00000
     10      10.7967      0.00000
     11      11.6541      0.00000
     12      13.8579      0.00000

 k-point   185 :       0.1538    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.6286      2.00000
      2       0.5221      2.00000
      3       1.5454      2.00000
      4       3.1487      2.00000
      5       5.4290      1.99949
      6       6.6131      0.05527
      7       7.5360      0.00001
      8       9.4979      0.00000
      9      10.9437      0.00000
     10      12.0006      0.00000
     11      12.9309      0.00000
     12      14.5516      0.00000

 k-point   186 :       0.2308    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.3697      2.00000
      2       0.7645      2.00000
      3       1.7954      2.00000
      4       3.2300      2.00000
      5       4.4128      2.00000
      6       5.6409      1.99579
      7       6.5292      0.12342
      8       8.8326      0.00000
      9      12.4041      0.00000
     10      13.3783      0.00000
     11      14.3339      0.00000
     12      14.8109      0.00000

 k-point   187 :       0.3077    0.4615    0.3846
  band No.  band energies     occupation 
      1      -0.0109      2.00000
      2       1.0937      2.00000
      3       2.1384      2.00000
      4       3.2163      2.00000
      5       3.5691      2.00000
      6       4.7735      2.00000
      7       5.6035      1.99710
      8       8.2507      0.00000
      9      13.9458      0.00000
     10      14.7593      0.00000
     11      15.1602      0.00000
     12      15.7534      0.00000

 k-point   188 :       0.3846    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.4390      2.00000
      2       1.4855      2.00000
      3       2.5226      2.00000
      4       2.5915      2.00000
      5       3.3779      2.00000
      6       4.1202      2.00000
      7       4.7877      2.00000
      8       7.8191      0.00000
      9      15.4050      0.00000
     10      15.6081      0.00000
     11      15.9927      0.00000
     12      16.8429      0.00000

 k-point   189 :       0.4615    0.4615    0.3846
  band No.  band energies     occupation 
      1       0.9271      2.00000
      2       1.7962      2.00000
      3       1.9319      2.00000
      4       2.9384      2.00000
      5       3.1611      2.00000
      6       3.8910      2.00000
      7       4.1601      2.00000
      8       7.5869      0.00000
      9      15.9335      0.00000
     10      16.4665      0.00000
     11      16.7205      0.00000
     12      16.8089      0.00000

 k-point   190 :       0.0000    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3540      2.00000
      2       0.5017      2.00000
      3       0.7106      2.00000
      4       2.6601      2.00000
      5       7.5632      0.00000
      6       8.5284      0.00000
      7       8.6300      0.00000
      8       9.3233      0.00000
      9      10.0124      0.00000
     10      10.0550      0.00000
     11      10.2907      0.00000
     12      13.3372      0.00000

 k-point   191 :       0.0769    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.3018      2.00000
      2       0.5542      2.00000
      3       0.7616      2.00000
      4       2.6810      2.00000
      5       6.9154      0.00276
      6       7.8188      0.00000
      7       7.9758      0.00000
      8       9.7182      0.00000
      9      10.0902      0.00000
     10      10.8101      0.00000
     11      11.0629      0.00000
     12      13.7203      0.00000

 k-point   192 :       0.1538    0.4615    0.4615
  band No.  band energies     occupation 
      1      -0.1458      2.00000
      2       0.7113      2.00000
      3       0.9143      2.00000
      4       2.7410      2.00000
      5       5.8724      1.95818
      6       6.7450      0.01510
      7       6.9392      0.00218
      8       9.1453      0.00000
      9      11.3876      0.00000
     10      12.1343      0.00000
     11      12.3573      0.00000
     12      14.6368      0.00000

 k-point   193 :       0.2308    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.1131      2.00000
      2       0.9723      2.00000
      3       1.1667      2.00000
      4       2.8310      2.00000
      5       4.8482      2.00000
      6       5.7059      1.99195
      7       5.9243      1.93073
      8       8.5248      0.00000
      9      12.8495      0.00000
     10      13.5763      0.00000
     11      13.7864      0.00000
     12      15.8113      0.00000

 k-point   194 :       0.3077    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.4725      2.00000
      2       1.3352      2.00000
      3       1.5136      2.00000
      4       2.9331      2.00000
      5       3.9059      2.00000
      6       4.7487      2.00000
      7       4.9903      1.99999
      8       7.9849      0.00000
      9      14.3895      0.00000
     10      15.0579      0.00000
     11      15.2700      0.00000
     12      16.3956      0.00000

 k-point   195 :       0.3846    0.4615    0.4615
  band No.  band energies     occupation 
      1       0.9246      2.00000
      2       1.7942      2.00000
      3       1.9384      2.00000
      4       2.9368      2.00000
      5       3.1583      2.00000
      6       3.8902      2.00000
      7       4.1635      2.00000
      8       7.5873      0.00000
      9      15.9413      0.00000
     10      16.4651      0.00000
     11      16.7091      0.00000
     12      16.8256      0.00000

 k-point   196 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1       1.4223      2.00000
      2       2.2955      2.00000
      3       2.3297      2.00000
      4       2.3731      2.00000
      5       3.1542      2.00000
      6       3.1903      2.00000
      7       3.5024      2.00000
      8       7.3751      0.00003
      9      17.2328      0.00000
     10      17.2766      0.00000
     11      17.4611      0.00000
     12      17.9476      0.00000

 k-point   197 :       0.0000    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5754      2.00000
      2       3.6391      2.00000
      3       4.3785      2.00000
      4       4.3809      2.00000
      5       5.6054      1.99705
      6       6.1538      1.47484
      7       7.7992      0.00000
      8      11.5722      0.00000
      9      11.5733      0.00000
     10      12.1699      0.00000
     11      12.8587      0.00000
     12      12.9952      0.00000

 k-point   198 :       0.0769    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.5260      2.00000
      2       3.5634      2.00000
      3       3.8387      2.00000
      4       4.4280      2.00000
      5       5.9306      1.92638
      6       6.5076      0.15100
      7       7.9525      0.00000
      8      10.8367      0.00000
      9      11.4791      0.00000
     10      11.8536      0.00000
     11      12.3625      0.00000
     12      12.8462      0.00000

 k-point   199 :       0.1538    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.3788      2.00000
      2       2.6475      2.00000
      3       3.8795      2.00000
      4       4.5748      2.00000
      5       6.1411      1.52245
      6       7.1343      0.00031
      7       8.6222      0.00000
      8       9.8285      0.00000
      9      10.5025      0.00000
     10      11.7932      0.00000
     11      11.8384      0.00000
     12      12.8751      0.00000

 k-point   200 :       0.2308    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -3.1367      2.00000
      2       1.6626      2.00000
      3       4.1139      2.00000
      4       4.8180      2.00000
      5       6.3851      0.43486
      6       7.4364      0.00002
      7       8.8235      0.00000
      8       9.4718      0.00000
      9       9.9052      0.00000
     10      10.9706      0.00000
     11      12.0607      0.00000
     12      12.5079      0.00000

 k-point   201 :       0.3077    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.8081      2.00000
      2       0.7605      2.00000
      3       4.4433      2.00000
      4       5.1541      1.99997
      5       6.6738      0.03050
      6       7.5844      0.00000
      7       8.0349      0.00000
      8       8.5386      0.00000
      9      10.1166      0.00000
     10      11.3465      0.00000
     11      12.1075      0.00000
     12      12.3885      0.00000

 k-point   202 :       0.3846    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.4175      2.00000
      2      -0.0168      2.00000
      3       4.8481      2.00000
      4       5.5703      1.99792
      5       6.7475      0.01472
      6       7.4425      0.00001
      7       7.7243      0.00000
      8       7.8887      0.00000
      9       9.3415      0.00000
     10      11.6118      0.00000
     11      12.7633      0.00000
     12      13.0919      0.00000

 k-point   203 :       0.4615    0.0000   -0.0769
  band No.  band energies     occupation 
      1      -2.0645      2.00000
      2      -0.5643      2.00000
      3       5.2496      1.99992
      4       5.9950      1.86432
      5       6.3332      0.63656
      6       7.0939      0.00046
      7       7.6150      0.00000
      8       8.1161      0.00000
      9       8.6720      0.00000
     10      11.4388      0.00000
     11      13.1070      0.00000
     12      14.1380      0.00000

 k-point   204 :       0.0000    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.4284      2.00000
      2       2.6112      2.00000
      3       4.5252      2.00000
      4       4.5276      2.00000
      5       5.7637      1.98571
      6       6.7583      0.01322
      7       8.5684      0.00000
      8      10.4563      0.00000
      9      10.4572      0.00000
     10      11.4066      0.00000
     11      12.8108      0.00000
     12      13.0025      0.00000

 k-point   205 :       0.0769    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.3789      2.00000
      2       2.6438      2.00000
      3       3.8837      2.00000
      4       4.5747      2.00000
      5       6.1437      1.51311
      6       7.1347      0.00031
      7       8.6177      0.00000
      8       9.8291      0.00000
      9      10.4983      0.00000
     10      11.7642      0.00000
     11      11.8736      0.00000
     12      12.8807      0.00000

 k-point   206 :       0.1538    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -3.2313      2.00000
      2       2.5814      2.00000
      3       3.0713      2.00000
      4       4.7214      2.00000
      5       6.4050      0.37104
      6       8.0497      0.00000
      7       8.6527      0.00000
      8       9.1576      0.00000
      9      10.4995      0.00000
     10      10.8432      0.00000
     11      11.8448      0.00000
     12      12.6311      0.00000

 k-point   207 :       0.2308    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2       1.7723      2.00000
      3       3.1257      2.00000
      4       4.9645      2.00000
      5       6.5635      0.08919
      6       7.9152      0.00000
      7       8.5960      0.00000
      8       9.6090      0.00000
      9      10.0320      0.00000
     10      10.9281      0.00000
     11      11.3311      0.00000
     12      12.6346      0.00000

 k-point   208 :       0.3077    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.6585      2.00000
      2       0.8874      2.00000
      3       3.4288      2.00000
      4       5.3004      1.99986
      5       6.4550      0.24273
      6       7.4640      0.00001
      7       8.6823      0.00000
      8       8.8198      0.00000
      9      10.6479      0.00000
     10      11.2422      0.00000
     11      11.4994      0.00000
     12      12.5235      0.00000

 k-point   209 :       0.3846    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -2.2652      2.00000
      2       0.1128      2.00000
      3       3.8135      2.00000
      4       5.7163      1.99107
      5       5.9124      1.93828
      6       7.5718      0.00000
      7       7.8715      0.00000
      8       8.9546      0.00000
      9      10.1153      0.00000
     10      11.6255      0.00000
     11      12.2044      0.00000
     12      12.8459      0.00000

 k-point   210 :       0.4615    0.0000   -0.1538
  band No.  band energies     occupation 
      1      -1.9072      2.00000
      2      -0.4379      2.00000
      3       4.1830      2.00000
      4       5.4015      1.99962
      5       6.1404      1.52520
      6       7.2405      0.00011
      7       7.7974      0.00000
      8       8.9577      0.00000
      9       9.8249      0.00000
     10      11.9603      0.00000
     11      12.0001      0.00000
     12      13.3927      0.00000

 k-point   211 :       0.0000    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1868      2.00000
      2       1.6183      2.00000
      3       4.7683      2.00000
      4       4.7707      2.00000
      5       6.0264      1.81886
      6       7.0428      0.00077
      7       9.4192      0.00000
      8       9.4218      0.00000
      9       9.8382      0.00000
     10      10.5269      0.00000
     11      12.3285      0.00000
     12      13.2348      0.00000

 k-point   212 :       0.0769    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6596      2.00000
      3       4.1181      2.00000
      4       4.8179      2.00000
      5       6.3877      0.42632
      6       7.4384      0.00001
      7       8.8238      0.00000
      8       9.4673      0.00000
      9       9.8986      0.00000
     10      10.9698      0.00000
     11      12.0721      0.00000
     12      12.5072      0.00000

 k-point   213 :       0.1538    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.9887      2.00000
      2       1.7696      2.00000
      3       3.1289      2.00000
      4       4.9645      2.00000
      5       6.5638      0.08894
      6       7.9170      0.00000
      7       8.5986      0.00000
      8       9.6047      0.00000
      9      10.0262      0.00000
     10      10.9289      0.00000
     11      11.3359      0.00000
     12      12.6390      0.00000

 k-point   214 :       0.2308    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.7446      2.00000
      2       1.7605      2.00000
      3       2.3761      2.00000
      4       5.2074      1.99994
      5       6.3564      0.54047
      6       7.4597      0.00001
      7       9.7122      0.00000
      8       9.7417      0.00000
      9      10.0197      0.00000
     10      10.3529      0.00000
     11      11.2930      0.00000
     12      12.4462      0.00000

 k-point   215 :       0.3077    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.4121      2.00000
      2       1.0760      2.00000
      3       2.4674      2.00000
      4       5.5429      1.99842
      5       5.7112      1.99151
      6       7.5379      0.00001
      7       8.9162      0.00000
      8      10.0102      0.00000
      9      10.2080      0.00000
     10      11.0916      0.00000
     11      11.4326      0.00000
     12      12.6284      0.00000

 k-point   216 :       0.3846    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2       0.3205      2.00000
      3       2.8122      2.00000
      4       5.0232      1.99999
      5       5.9583      1.90399
      6       7.8014      0.00000
      7       8.1118      0.00000
      8       9.7686      0.00000
      9      10.5920      0.00000
     10      11.1164      0.00000
     11      12.1633      0.00000
     12      12.9178      0.00000

 k-point   217 :       0.4615    0.0000   -0.2308
  band No.  band energies     occupation 
      1      -1.6463      2.00000
      2      -0.2339      2.00000
      3       3.1461      2.00000
      4       4.5128      2.00000
      5       6.3815      0.44728
      6       7.4818      0.00001
      7       8.0579      0.00000
      8       9.4640      0.00000
      9      10.9527      0.00000
     10      11.2488      0.00000
     11      12.3464      0.00000
     12      12.4911      0.00000

 k-point   218 :       0.0000    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8590      2.00000
      2       0.7147      2.00000
      3       5.1043      1.99998
      4       5.1066      1.99998
      5       6.3917      0.41287
      6       7.2172      0.00014
      7       8.4860      0.00000
      8       8.4876      0.00000
      9       9.6545      0.00000
     10      11.2255      0.00000
     11      12.0127      0.00000
     12      13.5436      0.00000

 k-point   219 :       0.0769    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.8088      2.00000
      2       0.7583      2.00000
      3       4.4471      2.00000
      4       5.1539      1.99997
      5       6.6757      0.02994
      6       7.5884      0.00000
      7       8.0346      0.00000
      8       8.5345      0.00000
      9      10.1179      0.00000
     10      11.3381      0.00000
     11      12.1167      0.00000
     12      12.3895      0.00000

 k-point   220 :       0.1538    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.6591      2.00000
      2       0.8854      2.00000
      3       3.4318      2.00000
      4       5.3003      1.99986
      5       6.4560      0.24056
      6       7.4647      0.00001
      7       8.6783      0.00000
      8       8.8233      0.00000
      9      10.6454      0.00000
     10      11.2520      0.00000
     11      11.4930      0.00000
     12      12.5290      0.00000

 k-point   221 :       0.2308    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.4125      2.00000
      2       1.0744      2.00000
      3       2.4695      2.00000
      4       5.5428      1.99842
      5       5.7120      1.99145
      6       7.5376      0.00001
      7       8.9122      0.00000
      8      10.0132      0.00000
      9      10.2111      0.00000
     10      11.0967      0.00000
     11      11.4287      0.00000
     12      12.6268      0.00000

 k-point   222 :       0.3077    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -2.0756      2.00000
      2       1.1351      2.00000
      3       1.7989      2.00000
      4       4.9120      2.00000
      5       5.8780      1.95585
      6       7.7942      0.00000
      7       9.1255      0.00000
      8       9.3923      0.00000
      9      10.4711      0.00000
     10      11.3174      0.00000
     11      11.9533      0.00000
     12      12.7749      0.00000

 k-point   223 :       0.3846    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.6692      2.00000
      2       0.5803      2.00000
      3       1.9144      2.00000
      4       4.2061      2.00000
      5       6.2928      0.82302
      6       8.1150      0.00000
      7       8.4378      0.00000
      8       9.6643      0.00000
      9      10.1307      0.00000
     10      11.5156      0.00000
     11      11.9884      0.00000
     12      12.4971      0.00000

 k-point   224 :       0.4615    0.0000   -0.3077
  band No.  band energies     occupation 
      1      -1.2852      2.00000
      2       0.0333      2.00000
      3       2.1914      2.00000
      4       3.7181      2.00000
      5       6.7156      0.02018
      6       7.8103      0.00000
      7       8.4109      0.00000
      8       9.7630      0.00000
      9      10.0268      0.00000
     10      11.4219      0.00000
     11      11.6700      0.00000
     12      12.7869      0.00000

 k-point   225 :       0.0000    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4697      2.00000
      2      -0.0621      2.00000
      3       5.5207      1.99873
      4       5.5227      1.99871
      5       6.8560      0.00500
      6       7.3415      0.00004
      7       7.6714      0.00000
      8       7.6717      0.00000
      9       8.8374      0.00000
     10      11.4230      0.00000
     11      13.1303      0.00000
     12      13.8906      0.00000

 k-point   226 :       0.0769    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0183      2.00000
      3       4.8512      2.00000
      4       5.5702      1.99792
      5       6.7501      0.01434
      6       7.4454      0.00001
      7       7.7194      0.00000
      8       7.8893      0.00000
      9       9.3446      0.00000
     10      11.6154      0.00000
     11      12.7694      0.00000
     12      13.0849      0.00000

 k-point   227 :       0.1538    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.2664      2.00000
      2       0.1115      2.00000
      3       3.8160      2.00000
      4       5.7162      1.99108
      5       5.9148      1.93682
      6       7.5718      0.00000
      7       7.8660      0.00000
      8       8.9581      0.00000
      9      10.1178      0.00000
     10      11.6351      0.00000
     11      12.2095      0.00000
     12      12.8420      0.00000

 k-point   228 :       0.2308    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -2.0149      2.00000
      2       0.3196      2.00000
      3       2.8138      2.00000
      4       5.0249      1.99999
      5       5.9583      1.90402
      6       7.8017      0.00000
      7       8.1058      0.00000
      8       9.7707      0.00000
      9      10.5940      0.00000
     10      11.1265      0.00000
     11      12.1649      0.00000
     12      12.9250      0.00000

 k-point   229 :       0.3077    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.6698      2.00000
      2       0.5797      2.00000
      3       1.9152      2.00000
      4       4.2069      2.00000
      5       6.2929      0.82282
      6       8.1164      0.00000
      7       8.4307      0.00000
      8       9.6682      0.00000
      9      10.1337      0.00000
     10      11.5147      0.00000
     11      11.9896      0.00000
     12      12.5043      0.00000

 k-point   230 :       0.3846    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -1.2482      2.00000
      2       0.7148      2.00000
      3       1.2955      2.00000
      4       3.5181      2.00000
      5       6.7076      0.02185
      6       8.4847      0.00000
      7       8.7420      0.00000
      8       8.9484      0.00000
      9      10.1833      0.00000
     10      11.0375      0.00000
     11      11.1922      0.00000
     12      13.5191      0.00000

 k-point   231 :       0.4615    0.0000   -0.3846
  band No.  band energies     occupation 
      1      -0.8334      2.00000
      2       0.3249      2.00000
      3       1.3432      2.00000
      4       3.0671      2.00000
      5       7.1326      0.00032
      6       8.2021      0.00000
      7       8.8493      0.00000
      8       9.2149      0.00000
      9       9.9431      0.00000
     10      10.6224      0.00000
     11      10.8986      0.00000
     12      13.4370      0.00000

 k-point   232 :       0.0000    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.1191      2.00000
      2      -0.6075      2.00000
      3       5.9461      1.91461
      4       5.9475      1.91340
      5       7.0379      0.00081
      6       7.0464      0.00075
      7       7.4125      0.00002
      8       7.4171      0.00002
      9       8.1044      0.00000
     10      11.2710      0.00000
     11      14.1661      0.00000
     12      14.5297      0.00000

 k-point   233 :       0.0769    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -2.0665      2.00000
      2      -0.5648      2.00000
      3       5.2516      1.99991
      4       5.9954      1.86380
      5       6.3381      0.61562
      6       7.0909      0.00048
      7       7.6095      0.00000
      8       8.1204      0.00000
      9       8.6765      0.00000
     10      11.4434      0.00000
     11      13.1143      0.00000
     12      14.1396      0.00000

 k-point   234 :       0.1538    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.9091      2.00000
      2      -0.4383      2.00000
      3       4.1845      2.00000
      4       5.4051      1.99960
      5       6.1408      1.52356
      6       7.2377      0.00011
      7       7.7918      0.00000
      8       8.9620      0.00000
      9       9.8294      0.00000
     10      11.9809      0.00000
     11      11.9964      0.00000
     12      13.3914      0.00000

 k-point   235 :       0.2308    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.6480      2.00000
      2      -0.2340      2.00000
      3       3.1470      2.00000
      4       4.5154      2.00000
      5       6.3820      0.44549
      6       7.4795      0.00001
      7       8.0519      0.00000
      8       9.4679      0.00000
      9      10.9511      0.00000
     10      11.2639      0.00000
     11      12.3567      0.00000
     12      12.4887      0.00000

 k-point   236 :       0.3077    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -1.2866      2.00000
      2       0.0336      2.00000
      3       2.1917      2.00000
      4       3.7198      2.00000
      5       6.7162      0.02007
      6       7.8089      0.00000
      7       8.4037      0.00000
      8       9.7665      0.00000
      9      10.0341      0.00000
     10      11.4195      0.00000
     11      11.6709      0.00000
     12      12.7948      0.00000

 k-point   237 :       0.3846    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.8343      2.00000
      2       0.3257      2.00000
      3       1.3428      2.00000
      4       3.0679      2.00000
      5       7.1330      0.00031
      6       8.2023      0.00000
      7       8.8325      0.00000
      8       9.2304      0.00000
      9       9.9483      0.00000
     10      10.6171      0.00000
     11      10.8994      0.00000
     12      13.4389      0.00000

 k-point   238 :       0.4615    0.0000   -0.4615
  band No.  band energies     occupation 
      1      -0.3487      2.00000
      2       0.5038      2.00000
      3       0.7056      2.00000
      4       2.6612      2.00000
      5       7.5703      0.00000
      6       8.5290      0.00000
      7       8.6096      0.00000
      8       9.3221      0.00000
      9       9.9981      0.00000
     10      10.0640      0.00000
     11      10.2868      0.00000
     12      13.3318      0.00000

 k-point   239 :       0.0000    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3790      2.00000
      2       2.6435      2.00000
      3       3.8816      2.00000
      4       4.5765      2.00000
      5       6.1493      1.49190
      6       7.1295      0.00033
      7       8.6170      0.00000
      8       9.8288      0.00000
      9      10.4975      0.00000
     10      11.7951      0.00000
     11      11.8448      0.00000
     12      12.8846      0.00000

 k-point   240 :       0.0769    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.3294      2.00000
      2       2.6794      2.00000
      3       3.7678      2.00000
      4       4.1245      2.00000
      5       6.7062      0.02217
      6       7.2980      0.00006
      7       8.6617      0.00000
      8       9.6989      0.00000
      9      10.0544      0.00000
     10      11.1933      0.00000
     11      12.2611      0.00000
     12      13.2355      0.00000

 k-point   241 :       0.1538    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -3.1817      2.00000
      2       2.6327      2.00000
      3       3.0701      2.00000
      4       4.1455      2.00000
      5       7.0852      0.00051
      6       8.0910      0.00000
      7       8.7017      0.00000
      8       9.0971      0.00000
      9       9.8224      0.00000
     10      10.4913      0.00000
     11      12.4843      0.00000
     12      13.1060      0.00000

 k-point   242 :       0.2308    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.9387      2.00000
      2       1.8171      2.00000
      3       3.1479      2.00000
      4       4.3615      2.00000
      5       7.1840      0.00019
      6       8.0208      0.00000
      7       8.5013      0.00000
      8       9.1930      0.00000
      9       9.9016      0.00000
     10      10.6051      0.00000
     11      11.9345      0.00000
     12      13.1282      0.00000

 k-point   243 :       0.3077    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.6083      2.00000
      2       0.9324      2.00000
      3       3.4595      2.00000
      4       4.6653      2.00000
      5       6.7371      0.01633
      6       7.8557      0.00000
      7       8.0836      0.00000
      8       9.1139      0.00000
      9      10.5287      0.00000
     10      11.1492      0.00000
     11      11.7028      0.00000
     12      12.8190      0.00000

 k-point   244 :       0.3846    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -2.2143      2.00000
      2       0.1575      2.00000
      3       3.8520      2.00000
      4       5.0228      1.99999
      5       6.0462      1.78347
      6       7.3009      0.00006
      7       8.2582      0.00000
      8       9.2730      0.00000
      9      10.4496      0.00000
     10      10.9430      0.00000
     11      12.3310      0.00000
     12      13.1530      0.00000

 k-point   245 :       0.4615    0.0769   -0.1538
  band No.  band energies     occupation 
      1      -1.8547      2.00000
      2      -0.3944      2.00000
      3       4.2302      2.00000
      4       5.2814      1.99988
      5       5.5657      1.99801
      6       6.8034      0.00844
      7       8.5624      0.00000
      8       9.4163      0.00000
      9       9.9390      0.00000
     10      11.2850      0.00000
     11      11.9720      0.00000
     12      13.0439      0.00000

 k-point   246 :       0.0000    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.1371      2.00000
      2       1.6595      2.00000
      3       4.1158      2.00000
      4       4.8196      2.00000
      5       6.3935      0.40690
      6       7.4323      0.00002
      7       8.8227      0.00000
      8       9.4687      0.00000
      9       9.8990      0.00000
     10      10.9729      0.00000
     11      12.0686      0.00000
     12      12.5047      0.00000

 k-point   247 :       0.0769    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -3.0874      2.00000
      2       1.7015      2.00000
      3       4.0196      2.00000
      4       4.3377      2.00000
      5       6.9485      0.00198
      6       7.5940      0.00000
      7       8.6972      0.00000
      8       9.0937      0.00000
      9       9.9690      0.00000
     10      11.3507      0.00000
     11      11.4546      0.00000
     12      12.7739      0.00000

 k-point   248 :       0.1538    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.9390      2.00000
      2       1.8144      2.00000
      3       3.1512      2.00000
      4       4.3613      2.00000
      5       7.1849      0.00019
      6       8.0227      0.00000
      7       8.5017      0.00000
      8       9.1902      0.00000
      9       9.9009      0.00000
     10      10.6040      0.00000
     11      11.9358      0.00000
     12      13.1349      0.00000

 k-point   249 :       0.2308    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.6946      2.00000
      2       1.8124      2.00000
      3       2.4041      2.00000
      4       4.5743      2.00000
      5       6.6588      0.03537
      6       7.9112      0.00000
      7       8.9612      0.00000
      8       9.4159      0.00000
      9       9.9117      0.00000
     10      10.6826      0.00000
     11      11.9741      0.00000
     12      12.8208      0.00000

 k-point   250 :       0.3077    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -2.3618      2.00000
      2       1.1234      2.00000
      3       2.5053      2.00000
      4       4.8521      2.00000
      5       5.9055      1.94224
      6       8.0841      0.00000
      7       8.3622      0.00000
      8       9.6006      0.00000
      9      10.3437      0.00000
     10      11.5383      0.00000
     11      11.7856      0.00000
     12      12.8210      0.00000

 k-point   251 :       0.3846    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.9630      2.00000
      2       0.3666      2.00000
      3       2.8555      2.00000
      4       4.9209      2.00000
      5       5.4889      1.99908
      6       7.5290      0.00001
      7       8.5236      0.00000
      8       9.9308      0.00000
      9      10.3436      0.00000
     10      11.2515      0.00000
     11      12.3438      0.00000
     12      12.8036      0.00000

 k-point   252 :       0.4615    0.0769   -0.2308
  band No.  band energies     occupation 
      1      -1.5940      2.00000
      2      -0.1892      2.00000
      3       3.1953      2.00000
      4       4.5133      2.00000
      5       5.7236      1.99040
      6       6.9998      0.00119
      7       8.8230      0.00000
      8       9.9935      0.00000
      9      10.3139      0.00000
     10      11.2897      0.00000
     11      11.8050      0.00000
     12      13.0926      0.00000

 k-point   253 :       0.0000    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.8089      2.00000
      2       0.7582      2.00000
      3       4.4447      2.00000
      4       5.1554      1.99997
      5       6.6822      0.02810
      6       7.5791      0.00000
      7       8.0371      0.00000
      8       8.5358      0.00000
      9      10.1196      0.00000
     10      11.3374      0.00000
     11      12.1158      0.00000
     12      12.3860      0.00000

 k-point   254 :       0.0769    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.7587      2.00000
      2       0.8022      2.00000
      3       4.3696      2.00000
      4       4.6352      2.00000
      5       7.2184      0.00013
      6       7.6020      0.00000
      7       7.8488      0.00000
      8       8.4795      0.00000
      9      10.5649      0.00000
     10      11.3342      0.00000
     11      11.6514      0.00000
     12      12.4229      0.00000

 k-point   255 :       0.1538    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.6090      2.00000
      2       0.9303      2.00000
      3       3.4627      2.00000
      4       4.6648      2.00000
      5       6.7390      0.01602
      6       7.8552      0.00000
      7       8.0817      0.00000
      8       9.1166      0.00000
      9      10.5303      0.00000
     10      11.1518      0.00000
     11      11.6975      0.00000
     12      12.8255      0.00000

 k-point   256 :       0.2308    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.3622      2.00000
      2       1.1218      2.00000
      3       2.5074      2.00000
      4       4.8519      2.00000
      5       5.9064      1.94177
      6       8.0844      0.00000
      7       8.3580      0.00000
      8       9.6042      0.00000
      9      10.3479      0.00000
     10      11.5374      0.00000
     11      11.7839      0.00000
     12      12.8205      0.00000

 k-point   257 :       0.3077    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -2.0251      2.00000
      2       1.1873      2.00000
      3       1.8363      2.00000
      4       4.8110      2.00000
      5       5.4350      1.99946
      6       8.3613      0.00000
      7       8.4693      0.00000
      8       8.9547      0.00000
      9      11.1889      0.00000
     10      11.8069      0.00000
     11      12.0398      0.00000
     12      12.1534      0.00000

 k-point   258 :       0.3846    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.6182      2.00000
      2       0.6288      2.00000
      3       1.9589      2.00000
      4       4.2133      2.00000
      5       5.7021      1.99225
      6       7.8206      0.00000
      7       8.8224      0.00000
      8       9.0851      0.00000
      9      10.8175      0.00000
     10      11.4672      0.00000
     11      12.1817      0.00000
     12      12.6134      0.00000

 k-point   259 :       0.4615    0.0769   -0.3077
  band No.  band energies     occupation 
      1      -1.2329      2.00000
      2       0.0798      2.00000
      3       2.2415      2.00000
      4       3.7356      2.00000
      5       6.0553      1.76536
      6       7.2811      0.00007
      7       9.1589      0.00000
      8       9.3738      0.00000
      9      10.3032      0.00000
     10      11.0895      0.00000
     11      12.4042      0.00000
     12      12.8557      0.00000

 k-point   260 :       0.0000    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.4188      2.00000
      2      -0.0183      2.00000
      3       4.8490      2.00000
      4       5.5715      1.99790
      5       6.7513      0.01417
      6       7.4487      0.00001
      7       7.7202      0.00000
      8       7.8865      0.00000
      9       9.3441      0.00000
     10      11.6139      0.00000
     11      12.7663      0.00000
     12      13.0857      0.00000

 k-point   261 :       0.0769    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.3678      2.00000
      2       0.0258      2.00000
      3       4.8102      2.00000
      4       4.9856      1.99999
      5       6.8229      0.00695
      6       7.2128      0.00014
      7       7.8665      0.00000
      8       8.3001      0.00000
      9       9.7578      0.00000
     10      11.6918      0.00000
     11      12.0898      0.00000
     12      13.2301      0.00000

 k-point   262 :       0.1538    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -2.2155      2.00000
      2       0.1563      2.00000
      3       3.8545      2.00000
      4       5.0223      1.99999
      5       6.0488      1.77832
      6       7.2984      0.00006
      7       8.2564      0.00000
      8       9.2762      0.00000
      9      10.4479      0.00000
     10      10.9541      0.00000
     11      12.3374      0.00000
     12      13.1466      0.00000

 k-point   263 :       0.2308    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.9639      2.00000
      2       0.3657      2.00000
      3       2.8572      2.00000
      4       4.9220      2.00000
      5       5.4892      1.99907
      6       7.5270      0.00001
      7       8.5201      0.00000
      8       9.9342      0.00000
      9      10.3466      0.00000
     10      11.2591      0.00000
     11      12.3458      0.00000
     12      12.8054      0.00000

 k-point   264 :       0.3077    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.6187      2.00000
      2       0.6283      2.00000
      3       1.9597      2.00000
      4       4.2142      2.00000
      5       5.7020      1.99226
      6       7.8195      0.00000
      7       8.8117      0.00000
      8       9.0960      0.00000
      9      10.8208      0.00000
     10      11.4654      0.00000
     11      12.1827      0.00000
     12      12.6200      0.00000

 k-point   265 :       0.3846    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -1.1969      2.00000
      2       0.7672      2.00000
      3       1.3397      2.00000
      4       3.5391      2.00000
      5       6.0851      1.69612
      6       8.0136      0.00000
      7       8.4362      0.00000
      8       9.2161      0.00000
      9      10.6899      0.00000
     10      10.9833      0.00000
     11      11.7551      0.00000
     12      13.9211      0.00000

 k-point   266 :       0.4615    0.0769   -0.3846
  band No.  band energies     occupation 
      1      -0.7813      2.00000
      2       0.3743      2.00000
      3       1.3938      2.00000
      4       3.0887      2.00000
      5       6.4756      0.20211
      6       7.6012      0.00000
      7       8.5589      0.00000
      8       9.5829      0.00000
      9      10.1406      0.00000
     10      10.7978      0.00000
     11      11.6489      0.00000
     12      13.8542      0.00000

 k-point   267 :       0.0000    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0666      2.00000
      2      -0.5648      2.00000
      3       5.2497      1.99992
      4       5.9960      1.86308
      5       6.3349      0.62920
      6       7.0955      0.00046
      7       7.6180      0.00000
      8       8.1164      0.00000
      9       8.6726      0.00000
     10      11.4423      0.00000
     11      13.1113      0.00000
     12      14.1473      0.00000

 k-point   268 :       0.0769    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -2.0140      2.00000
      2      -0.5219      2.00000
      3       5.2786      1.99989
      4       5.3090      1.99985
      5       6.1700      1.40958
      6       6.7909      0.00956
      7       8.3166      0.00000
      8       8.3848      0.00000
      9       9.0299      0.00000
     10      11.5677      0.00000
     11      12.3739      0.00000
     12      13.8851      0.00000

 k-point   269 :       0.1538    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.8566      2.00000
      2      -0.3948      2.00000
      3       4.2317      2.00000
      4       5.2834      1.99988
      5       5.5668      1.99799
      6       6.8011      0.00863
      7       8.5579      0.00000
      8       9.4201      0.00000
      9       9.9426      0.00000
     10      11.2933      0.00000
     11      11.9817      0.00000
     12      13.0372      0.00000

 k-point   270 :       0.2308    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.5957      2.00000
      2      -0.1893      2.00000
      3       3.1962      2.00000
      4       4.5159      2.00000
      5       5.7234      1.99043
      6       6.9977      0.00121
      7       8.8169      0.00000
      8       9.9967      0.00000
      9      10.3195      0.00000
     10      11.2981      0.00000
     11      11.8085      0.00000
     12      13.0942      0.00000

 k-point   271 :       0.3077    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -1.2343      2.00000
      2       0.0801      2.00000
      3       2.2418      2.00000
      4       3.7373      2.00000
      5       6.0551      1.76568
      6       7.2796      0.00007
      7       9.1354      0.00000
      8       9.3972      0.00000
      9      10.3092      0.00000
     10      11.0859      0.00000
     11      12.4044      0.00000
     12      12.8643      0.00000

 k-point   272 :       0.3846    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.7822      2.00000
      2       0.3751      2.00000
      3       1.3934      2.00000
      4       3.0895      2.00000
      5       6.4756      0.20219
      6       7.6006      0.00000
      7       8.5561      0.00000
      8       9.5857      0.00000
      9      10.1447      0.00000
     10      10.7938      0.00000
     11      11.6497      0.00000
     12      13.8563      0.00000

 k-point   273 :       0.4615    0.0769   -0.4615
  band No.  band energies     occupation 
      1      -0.2966      2.00000
      2       0.5562      2.00000
      3       0.7566      2.00000
      4       2.6821      2.00000
      5       6.9202      0.00263
      6       7.8178      0.00000
      7       7.9637      0.00000
      8       9.7148      0.00000
      9      10.0882      0.00000
     10      10.8078      0.00000
     11      11.0564      0.00000
     12      13.7145      0.00000

 k-point   274 :       0.0000    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9889      2.00000
      2       1.7690      2.00000
      3       3.1271      2.00000
      4       4.9660      2.00000
      5       6.5712      0.08284
      6       7.9133      0.00000
      7       8.5931      0.00000
      8       9.6050      0.00000
      9      10.0270      0.00000
     10      10.9346      0.00000
     11      11.3352      0.00000
     12      12.6431      0.00000

 k-point   275 :       0.0769    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.9391      2.00000
      2       1.8138      2.00000
      3       3.1496      2.00000
      4       4.3634      2.00000
      5       7.1902      0.00018
      6       8.0208      0.00000
      7       8.4981      0.00000
      8       9.1892      0.00000
      9       9.9017      0.00000
     10      10.6050      0.00000
     11      11.9389      0.00000
     12      13.1368      0.00000

 k-point   276 :       0.1538    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.7904      2.00000
      2       1.9384      2.00000
      3       3.0452      2.00000
      4       3.6101      2.00000
      5       7.6287      0.00000
      6       7.9957      0.00000
      7       8.6166      0.00000
      8       9.0861      0.00000
      9       9.3076      0.00000
     10      10.5952      0.00000
     11      12.7765      0.00000
     12      13.6502      0.00000

 k-point   277 :       0.2308    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.5455      2.00000
      2       1.9677      2.00000
      3       2.4556      2.00000
      4       3.6322      2.00000
      5       6.8636      0.00463
      6       7.9171      0.00000
      7       8.5396      0.00000
      8       9.1009      0.00000
      9      10.0714      0.00000
     10      10.9322      0.00000
     11      13.0320      0.00000
     12      13.1093      0.00000

 k-point   278 :       0.3077    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -2.2117      2.00000
      2       1.2634      2.00000
      3       2.6054      2.00000
      4       3.8889      2.00000
      5       6.0109      1.84285
      6       7.3198      0.00005
      7       8.6479      0.00000
      8       9.4151      0.00000
      9      10.6291      0.00000
     10      11.8682      0.00000
     11      12.3479      0.00000
     12      12.6922      0.00000

 k-point   279 :       0.3846    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.8107      2.00000
      2       0.5034      2.00000
      3       2.9787      2.00000
      4       4.1980      2.00000
      5       5.2607      1.99991
      6       6.6668      0.03268
      7       8.9718      0.00000
      8       9.7740      0.00000
      9      10.8989      0.00000
     10      11.3823      0.00000
     11      12.0362      0.00000
     12      13.5851      0.00000

 k-point   280 :       0.4615    0.1538   -0.2308
  band No.  band energies     occupation 
      1      -1.4372      2.00000
      2      -0.0566      2.00000
      3       3.3412      2.00000
      4       4.4065      2.00000
      5       4.7656      2.00000
      6       6.2244      1.16197
      7       9.2546      0.00000
      8      10.1349      0.00000
      9      10.8035      0.00000
     10      11.1140      0.00000
     11      11.5724      0.00000
     12      13.5032      0.00000

 k-point   281 :       0.0000    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6593      2.00000
      2       0.8851      2.00000
      3       3.4298      2.00000
      4       5.3017      1.99986
      5       6.4579      0.23661
      6       7.4689      0.00001
      7       8.6794      0.00000
      8       8.8172      0.00000
      9      10.6518      0.00000
     10      11.2475      0.00000
     11      11.4936      0.00000
     12      12.5255      0.00000

 k-point   282 :       0.0769    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.6091      2.00000
      2       0.9301      2.00000
      3       3.4607      2.00000
      4       4.6669      2.00000
      5       6.7375      0.01625
      6       7.8665      0.00000
      7       8.0772      0.00000
      8       9.1108      0.00000
      9      10.5321      0.00000
     10      11.1547      0.00000
     11      11.6955      0.00000
     12      12.8211      0.00000

 k-point   283 :       0.1538    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.4592      2.00000
      2       1.0618      2.00000
      3       3.4014      2.00000
      4       3.8500      2.00000
      5       6.7337      0.01688
      6       7.3068      0.00006
      7       8.9226      0.00000
      8       9.3976      0.00000
      9       9.6718      0.00000
     10      11.8270      0.00000
     11      12.0313      0.00000
     12      12.9290      0.00000

 k-point   284 :       0.2308    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -2.2120      2.00000
      2       1.2616      2.00000
      3       2.6078      2.00000
      4       3.8885      2.00000
      5       6.0119      1.84134
      6       7.3174      0.00005
      7       8.6487      0.00000
      8       9.4170      0.00000
      9      10.6341      0.00000
     10      11.8624      0.00000
     11      12.3497      0.00000
     12      12.6910      0.00000

 k-point   285 :       0.3077    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.8742      2.00000
      2       1.3435      2.00000
      3       1.9427      2.00000
      4       4.1195      2.00000
      5       5.2389      1.99992
      6       7.3387      0.00004
      7       8.0489      0.00000
      8       9.7313      0.00000
      9      11.2765      0.00000
     10      11.8866      0.00000
     11      12.5399      0.00000
     12      12.7938      0.00000

 k-point   286 :       0.3846    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.4656      2.00000
      2       0.7734      2.00000
      3       2.0900      2.00000
      4       4.1377      2.00000
      5       4.8454      2.00000
      6       6.8537      0.00511
      7       8.1222      0.00000
      8      10.0381      0.00000
      9      10.6837      0.00000
     10      12.0019      0.00000
     11      12.8470      0.00000
     12      13.3136      0.00000

 k-point   287 :       0.4615    0.1538   -0.3077
  band No.  band energies     occupation 
      1      -1.0766      2.00000
      2       0.2181      2.00000
      3       2.3911      2.00000
      4       3.7741      2.00000
      5       5.0141      1.99999
      6       6.3874      0.42722
      7       8.3413      0.00000
      8      10.0570      0.00000
      9      10.5412      0.00000
     10      11.6792      0.00000
     11      13.0076      0.00000
     12      13.6654      0.00000

 k-point   288 :       0.0000    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2666      2.00000
      2       0.1113      2.00000
      3       3.8139      2.00000
      4       5.7173      1.99098
      5       5.9128      1.93800
      6       7.5831      0.00000
      7       7.8657      0.00000
      8       8.9545      0.00000
      9      10.1168      0.00000
     10      11.6322      0.00000
     11      12.2046      0.00000
     12      12.8470      0.00000

 k-point   289 :       0.0769    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.2156      2.00000
      2       0.1561      2.00000
      3       3.8526      2.00000
      4       5.0242      1.99999
      5       6.0465      1.78297
      6       7.3024      0.00006
      7       8.2625      0.00000
      8       9.2704      0.00000
      9      10.4497      0.00000
     10      10.9525      0.00000
     11      12.3337      0.00000
     12      13.1464      0.00000

 k-point   290 :       0.1538    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -2.0633      2.00000
      2       0.2888      2.00000
      3       3.8524      2.00000
      4       4.1387      2.00000
      5       5.9003      1.94510
      6       6.6903      0.02592
      7       9.3564      0.00000
      8       9.6923      0.00000
      9       9.9462      0.00000
     10      11.2606      0.00000
     11      12.1561      0.00000
     12      12.9786      0.00000

 k-point   291 :       0.2308    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.8116      2.00000
      2       0.5024      2.00000
      3       2.9806      2.00000
      4       4.1976      2.00000
      5       5.2624      1.99990
      6       6.6647      0.03338
      7       8.9710      0.00000
      8       9.7765      0.00000
      9      10.9044      0.00000
     10      11.3853      0.00000
     11      12.0378      0.00000
     12      13.5787      0.00000

 k-point   292 :       0.3077    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.4661      2.00000
      2       0.7728      2.00000
      3       2.0909      2.00000
      4       4.1382      2.00000
      5       4.8456      2.00000
      6       6.8522      0.00519
      7       8.1230      0.00000
      8      10.0385      0.00000
      9      10.6854      0.00000
     10      12.0028      0.00000
     11      12.8504      0.00000
     12      13.3152      0.00000

 k-point   293 :       0.3846    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -1.0435      2.00000
      2       0.9239      2.00000
      3       1.4703      2.00000
      4       3.5892      2.00000
      5       5.0886      1.99998
      6       6.9433      0.00209
      7       7.5407      0.00001
      8       9.8478      0.00000
      9      10.6270      0.00000
     10      12.2775      0.00000
     11      12.9047      0.00000
     12      14.0777      0.00000

 k-point   294 :       0.4615    0.1538   -0.3846
  band No.  band energies     occupation 
      1      -0.6254      2.00000
      2       0.5215      2.00000
      3       1.5451      2.00000
      4       3.1490      2.00000
      5       5.4303      1.99949
      6       6.6107      0.05661
      7       7.5320      0.00001
      8       9.4947      0.00000
      9      10.9396      0.00000
     10      11.9973      0.00000
     11      12.9250      0.00000
     12      14.5569      0.00000

 k-point   295 :       0.0000    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.9093      2.00000
      2      -0.4385      2.00000
      3       4.1827      2.00000
      4       5.4022      1.99961
      5       6.1411      1.52238
      6       7.2422      0.00011
      7       7.8013      0.00000
      8       8.9629      0.00000
      9       9.8210      0.00000
     10      11.9833      0.00000
     11      11.9872      0.00000
     12      13.4037      0.00000

 k-point   296 :       0.0769    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.8568      2.00000
      2      -0.3949      2.00000
      3       4.2300      2.00000
      4       5.2827      1.99988
      5       5.5666      1.99800
      6       6.8044      0.00836
      7       8.5665      0.00000
      8       9.4188      0.00000
      9       9.9360      0.00000
     10      11.2930      0.00000
     11      11.9794      0.00000
     12      13.0365      0.00000

 k-point   297 :       0.1538    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.6996      2.00000
      2      -0.2658      2.00000
      3       4.3508      2.00000
      4       4.3815      2.00000
      5       5.1956      1.99995
      6       6.2910      0.83173
      7       9.8171      0.00000
      8       9.8879      0.00000
      9      10.2774      0.00000
     10      10.5657      0.00000
     11      11.5944      0.00000
     12      12.9145      0.00000

 k-point   298 :       0.2308    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.4390      2.00000
      2      -0.0567      2.00000
      3       3.3421      2.00000
      4       4.4080      2.00000
      5       4.7661      2.00000
      6       6.2226      1.17049
      7       9.2515      0.00000
      8      10.1383      0.00000
      9      10.8094      0.00000
     10      11.1162      0.00000
     11      11.5775      0.00000
     12      13.5038      0.00000

 k-point   299 :       0.3077    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -1.0780      2.00000
      2       0.2185      2.00000
      3       2.3913      2.00000
      4       3.7759      2.00000
      5       5.0137      1.99999
      6       6.3859      0.43214
      7       8.3412      0.00000
      8      10.0596      0.00000
      9      10.5422      0.00000
     10      11.6789      0.00000
     11      13.0133      0.00000
     12      13.6684      0.00000

 k-point   300 :       0.3846    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.6263      2.00000
      2       0.5224      2.00000
      3       1.5446      2.00000
      4       3.1499      2.00000
      5       5.4302      1.99949
      6       6.6098      0.05707
      7       7.5323      0.00001
      8       9.4958      0.00000
      9      10.9398      0.00000
     10      11.9966      0.00000
     11      12.9257      0.00000
     12      14.5639      0.00000

 k-point   301 :       0.4615    0.1538   -0.4615
  band No.  band energies     occupation 
      1      -0.1408      2.00000
      2       0.7132      2.00000
      3       0.9091      2.00000
      4       2.7419      2.00000
      5       5.8765      1.95647
      6       6.7442      0.01521
      7       6.9302      0.00238
      8       9.1431      0.00000
      9      11.3854      0.00000
     10      12.1311      0.00000
     11      12.3491      0.00000
     12      14.6302      0.00000

 k-point   302 :       0.0000    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.4129      2.00000
      2       1.0735      2.00000
      3       2.4684      2.00000
      4       5.5439      1.99840
      5       5.7109      1.99154
      6       7.5463      0.00001
      7       8.9121      0.00000
      8      10.0082      0.00000
      9      10.2142      0.00000
     10      11.0899      0.00000
     11      11.4382      0.00000
     12      12.6300      0.00000

 k-point   303 :       0.0769    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.3626      2.00000
      2       1.1209      2.00000
      3       2.5064      2.00000
      4       4.8537      2.00000
      5       5.9047      1.94272
      6       8.0979      0.00000
      7       8.3535      0.00000
      8       9.6051      0.00000
      9      10.3405      0.00000
     10      11.5419      0.00000
     11      11.7843      0.00000
     12      12.8262      0.00000

 k-point   304 :       0.1538    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -2.2123      2.00000
      2       1.2610      2.00000
      3       2.6069      2.00000
      4       3.8901      2.00000
      5       6.0103      1.84365
      6       7.3195      0.00005
      7       8.6505      0.00000
      8       9.4222      0.00000
      9      10.6262      0.00000
     10      11.8638      0.00000
     11      12.3513      0.00000
     12      12.6928      0.00000

 k-point   305 :       0.2308    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       1.4798      2.00000
      3       2.5877      2.00000
      4       3.1529      2.00000
      5       5.9554      1.90659
      6       6.5461      0.10528
      7       7.8208      0.00000
      8      10.6602      0.00000
      9      10.8630      0.00000
     10      11.3729      0.00000
     11      12.5412      0.00000
     12      13.5757      0.00000

 k-point   306 :       0.3077    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.6251      2.00000
      2       1.6030      2.00000
      3       2.0820      2.00000
      4       3.2282      2.00000
      5       5.3103      1.99985
      6       6.3080      0.75058
      7       7.2562      0.00009
      8      10.3465      0.00000
      9      11.2286      0.00000
     10      12.2132      0.00000
     11      13.0098      0.00000
     12      13.9533      0.00000

 k-point   307 :       0.3846    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -1.2134      2.00000
      2       1.0092      2.00000
      3       2.2953      2.00000
      4       3.5084      2.00000
      5       4.5835      2.00000
      6       5.9202      1.93344
      7       7.2065      0.00015
      8       9.7495      0.00000
      9      11.6143      0.00000
     10      12.7715      0.00000
     11      13.6223      0.00000
     12      14.2408      0.00000

 k-point   308 :       0.4615    0.2308   -0.3077
  band No.  band energies     occupation 
      1      -0.8173      2.00000
      2       0.4439      2.00000
      3       2.6369      2.00000
      4       3.7127      2.00000
      5       4.0841      2.00000
      6       5.5513      1.99828
      7       7.3387      0.00004
      8       9.3705      0.00000
      9      11.9776      0.00000
     10      12.8742      0.00000
     11      13.3013      0.00000
     12      14.9032      0.00000

 k-point   309 :       0.0000    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -2.0154      2.00000
      2       0.3190      2.00000
      3       2.8125      2.00000
      4       5.0229      1.99999
      5       5.9590      1.90334
      6       7.8140      0.00000
      7       8.1050      0.00000
      8       9.7731      0.00000
      9      10.5972      0.00000
     10      11.1091      0.00000
     11      12.1788      0.00000
     12      12.9257      0.00000

 k-point   310 :       0.0769    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.9644      2.00000
      2       0.3652      2.00000
      3       2.8560      2.00000
      4       4.9214      2.00000
      5       5.4893      1.99907
      6       7.5310      0.00001
      7       8.5275      0.00000
      8       9.9343      0.00000
      9      10.3455      0.00000
     10      11.2531      0.00000
     11      12.3466      0.00000
     12      12.8113      0.00000

 k-point   311 :       0.1538    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.8119      2.00000
      2       0.5021      2.00000
      3       2.9796      2.00000
      4       4.1989      2.00000
      5       5.2608      1.99991
      6       6.6669      0.03266
      7       8.9736      0.00000
      8       9.7812      0.00000
      9      10.8973      0.00000
     10      11.3875      0.00000
     11      12.0379      0.00000
     12      13.5771      0.00000

 k-point   312 :       0.2308    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.5601      2.00000
      2       0.7236      2.00000
      3       3.0428      2.00000
      4       3.3929      2.00000
      5       5.1071      1.99998
      6       6.0272      1.81750
      7       8.0362      0.00000
      8      10.4489      0.00000
      9      11.1011      0.00000
     10      11.5079      0.00000
     11      12.9383      0.00000
     12      13.9323      0.00000

 k-point   313 :       0.3077    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -1.2140      2.00000
      2       1.0086      2.00000
      3       2.2964      2.00000
      4       3.5081      2.00000
      5       4.5845      2.00000
      6       5.9184      1.93454
      7       7.2079      0.00015
      8       9.7504      0.00000
      9      11.6147      0.00000
     10      12.7758      0.00000
     11      13.6234      0.00000
     12      14.2354      0.00000

 k-point   314 :       0.3846    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.7896      2.00000
      2       1.1843      2.00000
      3       1.6791      2.00000
      4       3.5572      2.00000
      5       4.2328      2.00000
      6       5.9072      1.94130
      7       6.6360      0.04420
      8       9.1725      0.00000
      9      12.0188      0.00000
     10      13.6317      0.00000
     11      14.1972      0.00000
     12      14.3579      0.00000

 k-point   315 :       0.4615    0.2308   -0.3846
  band No.  band energies     occupation 
      1      -0.3667      2.00000
      2       0.7634      2.00000
      3       1.7950      2.00000
      4       3.2300      2.00000
      5       4.4141      2.00000
      6       5.6401      1.99582
      7       6.5257      0.12751
      8       8.8308      0.00000
      9      12.3994      0.00000
     10      13.3745      0.00000
     11      14.3270      0.00000
     12      14.8139      0.00000

 k-point   316 :       0.0000    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.6487      2.00000
      2      -0.2343      2.00000
      3       3.1458      2.00000
      4       4.5130      2.00000
      5       6.3819      0.44593
      6       7.4838      0.00001
      7       8.0618      0.00000
      8       9.4715      0.00000
      9      10.9584      0.00000
     10      11.2364      0.00000
     11      12.3634      0.00000
     12      12.4987      0.00000

 k-point   317 :       0.0769    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.5962      2.00000
      2      -0.1896      2.00000
      3       3.1951      2.00000
      4       4.5137      2.00000
      5       5.7243      1.99033
      6       7.0013      0.00117
      7       8.8268      0.00000
      8      10.0006      0.00000
      9      10.3160      0.00000
     10      11.2876      0.00000
     11      11.8088      0.00000
     12      13.0922      0.00000

 k-point   318 :       0.1538    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.4394      2.00000
      2      -0.0569      2.00000
      3       3.3412      2.00000
      4       4.4075      2.00000
      5       4.7660      2.00000
      6       6.2249      1.15962
      7       9.2552      0.00000
      8      10.1413      0.00000
      9      10.8110      0.00000
     10      11.1145      0.00000
     11      11.5725      0.00000
     12      13.4991      0.00000

 k-point   319 :       0.2308    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -1.1792      2.00000
      2       0.1587      2.00000
      3       3.5540      2.00000
      4       3.5953      2.00000
      5       4.3921      2.00000
      6       5.6737      1.99416
      7       8.2593      0.00000
      8      10.0650      0.00000
      9      11.6028      0.00000
     10      11.6339      0.00000
     11      12.2906      0.00000
     12      14.0104      0.00000

 k-point   320 :       0.3077    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.8189      2.00000
      2       0.4443      2.00000
      3       2.6370      2.00000
      4       3.7137      2.00000
      5       4.0845      2.00000
      6       5.5496      1.99831
      7       7.3400      0.00004
      8       9.3721      0.00000
      9      11.9772      0.00000
     10      12.8766      0.00000
     11      13.3066      0.00000
     12      14.9077      0.00000

 k-point   321 :       0.3846    0.2308   -0.4615
  band No.  band energies     occupation 
      1      -0.3678      2.00000
      2       0.7644      2.00000
      3       1.7944      2.00000
      4       3.2310      2.00000
      5       4.4140      2.00000
      6       5.6390      1.99587
      7       6.5267      0.12638
      8       8.8314      0.00000
      9      12.3990      0.00000
     10      13.3747      0.00000
     11      14.3270      0.00000
     12      14.8211      0.00000

 k-point   322 :       0.4615    0.2308   -0.4615
  band No.  band energies     occupation 
      1       0.1178      2.00000
      2       0.9740      2.00000
      3       1.1611      2.00000
      4       2.8318      2.00000
      5       4.8525      2.00000
      6       5.7057      1.99197
      7       5.9169      1.93549
      8       8.5233      0.00000
      9      12.8467      0.00000
     10      13.5729      0.00000
     11      13.7774      0.00000
     12      15.8040      0.00000

 k-point   323 :       0.0000    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6708      2.00000
      2       0.5786      2.00000
      3       1.9150      2.00000
      4       4.2053      2.00000
      5       6.2930      0.82222
      6       8.1296      0.00000
      7       8.4288      0.00000
      8       9.6712      0.00000
      9      10.1365      0.00000
     10      11.5112      0.00000
     11      11.9919      0.00000
     12      12.5039      0.00000

 k-point   324 :       0.0769    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.6197      2.00000
      2       0.6272      2.00000
      3       1.9596      2.00000
      4       4.2128      2.00000
      5       5.7028      1.99220
      6       7.8229      0.00000
      7       8.8240      0.00000
      8       9.0922      0.00000
      9      10.8250      0.00000
     10      11.4651      0.00000
     11      12.1729      0.00000
     12      12.6287      0.00000

 k-point   325 :       0.1538    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.4669      2.00000
      2       0.7718      2.00000
      3       2.0909      2.00000
      4       4.1378      2.00000
      5       4.8454      2.00000
      6       6.8541      0.00509
      7       8.1258      0.00000
      8      10.0446      0.00000
      9      10.6862      0.00000
     10      12.0022      0.00000
     11      12.8374      0.00000
     12      13.3305      0.00000

 k-point   326 :       0.2308    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -1.2145      2.00000
      2       1.0080      2.00000
      3       2.2966      2.00000
      4       3.5084      2.00000
      5       4.5835      2.00000
      6       5.9195      1.93389
      7       7.2093      0.00015
      8       9.7514      0.00000
      9      11.6211      0.00000
     10      12.7670      0.00000
     11      13.6261      0.00000
     12      14.2378      0.00000

 k-point   327 :       0.3077    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.8671      2.00000
      2       1.3198      2.00000
      3       2.4238      2.00000
      4       2.8152      2.00000
      5       4.5011      2.00000
      6       5.2002      1.99995
      7       6.4052      0.37047
      8       9.0732      0.00000
      9      12.9917      0.00000
     10      13.3057      0.00000
     11      14.6474      0.00000
     12      14.6711      0.00000

 k-point   328 :       0.3846    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.4397      2.00000
      2       1.5462      2.00000
      3       1.9396      2.00000
      4       2.9889      2.00000
      5       4.0273      2.00000
      6       4.9526      2.00000
      7       5.8215      1.97466
      8       8.5463      0.00000
      9      13.5356      0.00000
     10      14.5152      0.00000
     11      15.1239      0.00000
     12      15.2188      0.00000

 k-point   329 :       0.4615    0.3077   -0.3846
  band No.  band energies     occupation 
      1      -0.0084      2.00000
      2       1.0919      2.00000
      3       2.1379      2.00000
      4       3.2181      2.00000
      5       3.5683      2.00000
      6       4.7749      2.00000
      7       5.6004      1.99719
      8       8.2497      0.00000
      9      13.9400      0.00000
     10      14.7592      0.00000
     11      15.1582      0.00000
     12      15.7490      0.00000

 k-point   330 :       0.0000    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2878      2.00000
      2       0.0329      2.00000
      3       2.1915      2.00000
      4       3.7178      2.00000
      5       6.7153      0.02026
      6       7.8129      0.00000
      7       8.4145      0.00000
      8       9.7718      0.00000
      9      10.0329      0.00000
     10      11.4225      0.00000
     11      11.6621      0.00000
     12      12.7995      0.00000

 k-point   331 :       0.0769    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.2355      2.00000
      2       0.0795      2.00000
      3       2.2416      2.00000
      4       3.7354      2.00000
      5       6.0554      1.76499
      6       7.2830      0.00007
      7       9.1594      0.00000
      8       9.3821      0.00000
      9      10.3132      0.00000
     10      11.0876      0.00000
     11      12.3859      0.00000
     12      12.8811      0.00000

 k-point   332 :       0.1538    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -1.0790      2.00000
      2       0.2180      2.00000
      3       2.3914      2.00000
      4       3.7743      2.00000
      5       5.0140      1.99999
      6       6.3885      0.42344
      7       8.3443      0.00000
      8      10.0618      0.00000
      9      10.5460      0.00000
     10      11.6831      0.00000
     11      12.9936      0.00000
     12      13.6874      0.00000

 k-point   333 :       0.2308    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.8195      2.00000
      2       0.4440      2.00000
      3       2.6375      2.00000
      4       3.7132      2.00000
      5       4.0838      2.00000
      6       5.5511      1.99828
      7       7.3413      0.00004
      8       9.3728      0.00000
      9      11.9835      0.00000
     10      12.8780      0.00000
     11      13.2986      0.00000
     12      14.9024      0.00000

 k-point   334 :       0.3077    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.4599      2.00000
      2       0.7463      2.00000
      3       2.9389      2.00000
      4       2.9978      2.00000
      5       3.7833      2.00000
      6       4.9663      2.00000
      7       6.4177      0.33426
      8       8.7339      0.00000
      9      13.4667      0.00000
     10      13.5729      0.00000
     11      14.1481      0.00000
     12      15.4881      0.00000

 k-point   335 :       0.3846    0.3077   -0.4615
  band No.  band energies     occupation 
      1      -0.0095      2.00000
      2       1.0931      2.00000
      3       2.1371      2.00000
      4       3.2188      2.00000
      5       3.5688      2.00000
      6       4.7731      2.00000
      7       5.6019      1.99715
      8       8.2502      0.00000
      9      13.9394      0.00000
     10      14.7608      0.00000
     11      15.1625      0.00000
     12      15.7507      0.00000

 k-point   336 :       0.4615    0.3077   -0.4615
  band No.  band energies     occupation 
      1       0.4766      2.00000
      2       1.3365      2.00000
      3       1.5075      2.00000
      4       2.9335      2.00000
      5       3.9108      2.00000
      6       4.7492      2.00000
      7       4.9843      1.99999
      8       7.9841      0.00000
      9      14.3857      0.00000
     10      15.0553      0.00000
     11      15.2614      0.00000
     12      16.3983      0.00000

 k-point   337 :       0.0000    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.8367      2.00000
      2       0.3245      2.00000
      3       1.3442      2.00000
      4       3.0664      2.00000
      5       7.1305      0.00032
      6       8.2056      0.00000
      7       8.8525      0.00000
      8       9.2234      0.00000
      9       9.9525      0.00000
     10      10.6198      0.00000
     11      10.9005      0.00000
     12      13.4427      0.00000

 k-point   338 :       0.0769    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.7845      2.00000
      2       0.3740      2.00000
      3       1.3948      2.00000
      4       3.0880      2.00000
      5       6.4745      0.20412
      6       7.6036      0.00000
      7       8.5646      0.00000
      8       9.5876      0.00000
      9      10.1473      0.00000
     10      10.7974      0.00000
     11      11.6520      0.00000
     12      13.8602      0.00000

 k-point   339 :       0.1538    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.6284      2.00000
      2       0.5214      2.00000
      3       1.5462      2.00000
      4       3.1486      2.00000
      5       5.4293      1.99949
      6       6.6121      0.05584
      7       7.5368      0.00001
      8       9.4978      0.00000
      9      10.9437      0.00000
     10      12.0014      0.00000
     11      12.9274      0.00000
     12      14.5627      0.00000

 k-point   340 :       0.2308    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.3695      2.00000
      2       0.7636      2.00000
      3       1.7963      2.00000
      4       3.2300      2.00000
      5       4.4125      2.00000
      6       5.6405      1.99581
      7       6.5297      0.12285
      8       8.8326      0.00000
      9      12.4042      0.00000
     10      13.3798      0.00000
     11      14.3186      0.00000
     12      14.8306      0.00000

 k-point   341 :       0.3077    0.3846   -0.4615
  band No.  band energies     occupation 
      1      -0.0106      2.00000
      2       1.0926      2.00000
      3       2.1396      2.00000
      4       3.2178      2.00000
      5       3.5668      2.00000
      6       4.7739      2.00000
      7       5.6036      1.99710
      8       8.2507      0.00000
      9      13.9460      0.00000
     10      14.7633      0.00000
     11      15.1476      0.00000
     12      15.7688      0.00000

 k-point   342 :       0.3846    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.4394      2.00000
      2       1.4840      2.00000
      3       2.5229      2.00000
      4       2.5938      2.00000
      5       3.3754      2.00000
      6       4.1216      2.00000
      7       4.7873      2.00000
      8       7.8192      0.00000
      9      15.4082      0.00000
     10      15.6036      0.00000
     11      15.9948      0.00000
     12      16.8490      0.00000

 k-point   343 :       0.4615    0.3846   -0.4615
  band No.  band energies     occupation 
      1       0.9277      2.00000
      2       1.7949      2.00000
      3       1.9314      2.00000
      4       2.9404      2.00000
      5       3.1606      2.00000
      6       3.8917      2.00000
      7       4.1591      2.00000
      8       7.5870      0.00000
      9      15.9357      0.00000
     10      16.4686      0.00000
     11      16.7112      0.00000
     12      16.8150      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.186   5.264  -0.000   0.000   0.000
  5.264  22.370  -0.000   0.000   0.000
 -0.000  -0.000  -0.285  -0.000  -0.000
  0.000   0.000  -0.000  -0.285  -0.000
  0.000   0.000  -0.000  -0.000  -0.285
 total augmentation occupancy for first ion, spin component:           1
  1.075  -0.022   0.007   0.000   0.000
 -0.022   0.000  -0.000   0.000   0.000
  0.007  -0.000   0.093   0.000   0.000
  0.000   0.000   0.000   0.093   0.000
  0.000   0.000   0.000   0.000   0.093


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.1752: real time    0.1752
    FORLOC:  cpu time    0.0012: real time    0.0012
    FORNL :  cpu time    0.3474: real time    0.3474
    STRESS:  cpu time    4.1387: real time    4.1408
    FORCOR:  cpu time    0.0456: real time    0.0456
    FORHAR:  cpu time    0.0124: real time    0.0124
    MIXING:  cpu time    0.0039: real time    0.0039
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.11323    -0.11323    -0.11323
  Ewald     -72.30622   -72.37790   -72.35850    -0.00000    -0.00000    -0.00000
  Hartree     1.14015     1.12708     1.13368    -0.00000    -0.00000    -0.00000
  E(xc)     -27.42424   -27.42266   -27.42278    -0.00000     0.00000     0.00000
  Local      -4.05423    -3.96097    -3.99506     0.00000     0.00000     0.00000
  n-local    58.93090    58.91324    58.91353     0.25652     0.02312     0.18992
  augment    -3.03632    -3.03504    -3.03522    -0.00000     0.00000     0.00000
  Kinetic    46.89368    46.88738    46.88450    -3.61816    -0.57704    -2.94432
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03049     0.01789     0.00691     0.00000     0.00000     0.00000
  in kB       0.74837     0.43916     0.16963     0.00000     0.00000     0.00000
  external pressure =        0.45 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       65.27
      direct lattice vectors                 reciprocal lattice vectors
     4.025488200  0.000000000  0.000000000     0.248417074  0.000000000  0.000000000
     0.000000000  4.026832140  0.000000000     0.000000000  0.248334166  0.000000000
     0.000000000  0.000000000  4.026832140     0.000000000  0.000000000  0.248334166

  length of vectors
     4.025488200  4.026832140  4.026832140     0.248417074  0.248334166  0.248334166


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.314E-15 0.298E+00 0.312E-14   -.337E-15 -.282E+00 -.215E-16   -.103E-19 -.844E-01 -.483E-20   -.149E-05 0.202E-04 -.107E-09
   -.149E-14 -.403E+00 0.225E-13   -.775E-15 0.444E+00 -.909E-15   0.854E-19 -.595E-01 0.320E-19   0.116E-04 0.469E-03 -.867E-09
   -.209E-14 0.105E+01 -.926E-13   0.143E-14 -.846E+00 0.847E-15   -.109E-18 -.313E+00 -.201E-18   0.116E-04 0.276E-03 0.824E-09
   0.140E-15 -.101E+01 -.682E-07   -.462E-15 0.683E+00 -.925E-16   -.143E-18 0.523E+00 -.135E-20   -.111E-04 -.518E-03 0.824E-09
 -----------------------------------------------------------------------------------------------
   -.375E-14 -.672E-01 -.682E-07   -.140E-15 0.000E+00 -.175E-15   -.177E-18 0.670E-01 -.175E-18   0.106E-04 0.248E-03 0.674E-09
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.068181     -0.000000
      2.01274      2.01342      0.00000        -0.000000     -0.017185     -0.000000
      2.01274      0.00000      2.01342         0.000000     -0.112976     -0.000000
      0.00000      1.96342      2.01342        -0.000000      0.198342      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000011      0.000049     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.54874688 eV

  energy  without entropy=      -13.50869825  energy(sigma->0) =      -13.52872257
 
 d Force =-0.1150772E-04[-0.198E-01, 0.198E-01]  d Energy = 0.2128047E-08-0.115E-04
 d Force =-0.9714451E-16[-0.683E-01, 0.683E-01]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0558: real time    0.0559


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:  13/ 13
  Displacement:        2/  2
  Total:              26/ 26


--------------------------------------------------------------------------------------------------------



  ELASTIC MODULI  (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX        1222.6168    350.1615    350.1615     -0.0000      0.0000      0.0000
 YY         349.6535   1222.3129    349.7971      0.0000      0.0000      0.0000
 ZZ         350.1496    349.2848   1222.1693      0.0000      0.0000     -0.0000
 XY          -0.2580     -0.3367     -0.4313    414.4227      0.0000      0.0000
 YZ           0.1448     -0.0134     -0.0310      0.0000    413.9458      0.0000
 ZX          -0.0549      0.1537     -0.0358      0.0000      0.0000    414.9967
 --------------------------------------------------------------------------------


  SYMMETRIZED ELASTIC MODULI (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX        1222.6168    350.0315    350.0315     -0.0000      0.0000      0.0000
 YY         350.0315   1222.2411    349.5409     -0.0000      0.0000     -0.0000
 ZZ         350.0315    349.5409   1222.2411      0.0000      0.0000      0.0000
 XY          -0.0000     -0.0000      0.0000    414.7097      0.0000      0.0000
 YZ           0.0000      0.0000      0.0000      0.0000    413.9458      0.0000
 ZX           0.0000     -0.0000      0.0000      0.0000      0.0000    414.7097
 --------------------------------------------------------------------------------

 INTERNAL STRAIN TENSORS FROM STRAINED CELLS
 ============================================

 INTERNAL STRAIN TENSOR FOR ION    1 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y    -0.00000     0.00000    -0.00000     0.00000    -0.00000    -0.00000
  z    -0.00000     0.00000     0.00000    -0.00000    -0.00000    -0.00000

 INTERNAL STRAIN TENSOR FOR ION    2 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x    -0.00000    -0.00000     0.00000     0.00000    -0.00000     0.00000
  y     0.00000    -0.00000    -0.00000    -0.00000     0.00000     0.00000
  z     0.00000    -0.00000     0.00000    -0.00000    -0.00000    -0.00000

 INTERNAL STRAIN TENSOR FOR ION    3 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x    -0.00000    -0.00000     0.00000    -0.00000     0.00000    -0.00000
  y     0.00000     0.00000     0.00000     0.00000    -0.00000    -0.00000
  z     0.00000    -0.00000    -0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    4 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000    -0.00000    -0.00000     0.00000    -0.00000
  y    -0.00000     0.00000     0.00000     0.00000    -0.00000     0.00000
  z    -0.00000     0.00000     0.00000    -0.00000    -0.00000    -0.00000
 
 INTERNAL STRAIN TENSORS FROM DISPLACED ATOMS
 ============================================

 INTERNAL STRAIN TENSOR FOR ION    1 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    2 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    3 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    4 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000


--------------------------------------------------------------------------------------------------------


 
 Eigenvectors and eigenvalues of the dynamical matrix
 ----------------------------------------------------
 
 
   1 f  =   10.753441 THz    67.565861 2PiTHz  358.696165 cm-1    44.472672 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.897119    0.000000   -0.000000  
      2.012744  2.013416  0.000000     0.296997   -0.000000    0.000000  
      2.012744  0.000000  2.013416     0.296997    0.000000   -0.000000  
      0.000000  2.013416  2.013416    -0.136975   -0.000000    0.000000  
 
   2 f  =   10.750713 THz    67.548725 2PiTHz  358.605189 cm-1    44.461393 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000   -0.897050  
      2.012744  2.013416  0.000000    -0.000000   -0.000000   -0.137218  
      2.012744  0.000000  2.013416    -0.000000    0.000000    0.297329  
      0.000000  2.013416  2.013416     0.000000   -0.000000    0.296763  
 
   3 f  =   10.750713 THz    67.548725 2PiTHz  358.605189 cm-1    44.461393 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.897050    0.000000  
      2.012744  2.013416  0.000000    -0.000000   -0.297329    0.000000  
      2.012744  0.000000  2.013416    -0.000000    0.137218   -0.000000  
      0.000000  2.013416  2.013416     0.000000   -0.296763   -0.000000  
 
   4 f  =    7.692856 THz    48.335640 2PiTHz  256.606047 cm-1    31.815106 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.339910   -0.000000    0.000000  
      2.012744  2.013416  0.000000    -0.323981   -0.000000   -0.000000  
      2.012744  0.000000  2.013416    -0.323981    0.000000    0.000000  
      0.000000  2.013416  2.013416     0.821300   -0.000000    0.000000  
 
   5 f  =    7.688809 THz    48.310210 2PiTHz  256.471043 cm-1    31.798368 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000   -0.339913   -0.012529  
      2.012744  2.013416  0.000000     0.000000   -0.321855    0.030251  
      2.012744  0.000000  2.013416     0.000000    0.820692   -0.011864  
      0.000000  2.013416  2.013416    -0.000000   -0.325540   -0.011999  
 
   6 f  =    7.688809 THz    48.310210 2PiTHz  256.471043 cm-1    31.798368 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000   -0.012529    0.339913  
      2.012744  2.013416  0.000000     0.000000   -0.011864   -0.820692  
      2.012744  0.000000  2.013416     0.000000    0.030251    0.321855  
      0.000000  2.013416  2.013416    -0.000000   -0.011999    0.325540  
 
   7 f  =    6.248312 THz    39.259304 2PiTHz  208.421255 cm-1    25.840952 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000   -0.000000  
      2.012744  2.013416  0.000000     0.707107    0.000000    0.000000  
      2.012744  0.000000  2.013416    -0.707107   -0.000000    0.000000  
      0.000000  2.013416  2.013416    -0.000000   -0.000000   -0.000000  
 
   8 f  =    6.244807 THz    39.237281 2PiTHz  208.304341 cm-1    25.826456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.001234   -0.000116  
      2.012744  2.013416  0.000000    -0.000000    0.704688    0.000197  
      2.012744  0.000000  2.013416     0.000000   -0.002089   -0.066507  
      0.000000  2.013416  2.013416     0.000000   -0.703265    0.066372  
 
   9 f  =    6.244807 THz    39.237281 2PiTHz  208.304341 cm-1    25.826456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.000000   -0.000116   -0.001234  
      2.012744  2.013416  0.000000     0.000000   -0.066507    0.002089  
      2.012744  0.000000  2.013416    -0.000000    0.000197   -0.704688  
      0.000000  2.013416  2.013416     0.000000    0.066372    0.703265  
 
  10 f/i=    0.001574 THz     0.009890 2PiTHz    0.052506 cm-1     0.006510 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.282201   -0.000000    0.000000  
      2.012744  2.013416  0.000000     0.553921   -0.000000    0.000000  
      2.012744  0.000000  2.013416     0.553921   -0.000000    0.000000  
      0.000000  2.013416  2.013416     0.553809   -0.000000    0.000000  
 
  11 f/i=    0.002200 THz     0.013826 2PiTHz    0.073399 cm-1     0.009100 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.282113   -0.003875  
      2.012744  2.013416  0.000000     0.000000    0.553894   -0.007607  
      2.012744  0.000000  2.013416     0.000000    0.553767   -0.007609  
      0.000000  2.013416  2.013416     0.000000    0.553866   -0.007608  
 
  12 f/i=    0.002200 THz     0.013826 2PiTHz    0.073399 cm-1     0.009100 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.000000    0.003875    0.282113  
      2.012744  2.013416  0.000000    -0.000000    0.007609    0.553767  
      2.012744  0.000000  2.013416    -0.000000    0.007607    0.553894  
      0.000000  2.013416  2.013416    -0.000000    0.007608    0.553866  
 


--------------------------------------------------------------------------------------------------------



 ELASTIC MODULI CONTR FROM IONIC RELAXATION (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 YY           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 ZZ           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 XY           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 YZ           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 ZX           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 --------------------------------------------------------------------------------


 TOTAL ELASTIC MODULI (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX        1222.6168    350.0315    350.0315     -0.0000      0.0000      0.0000
 YY         350.0315   1222.2411    349.5409     -0.0000      0.0000     -0.0000
 ZZ         350.0315    349.5409   1222.2411      0.0000      0.0000      0.0000
 XY          -0.0000     -0.0000      0.0000    414.7097      0.0000      0.0000
 YZ           0.0000      0.0000      0.0000      0.0000    413.9458      0.0000
 ZX           0.0000     -0.0000      0.0000      0.0000      0.0000    414.7097
 --------------------------------------------------------------------------------



--------------------------------------------------------------------------------------------------------


  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0268321403
 C/A-ratio  =     0.9996662538
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0268321403,   0.0000000000)
 A2 = (   0.0000000000,   0.0000000000,  -4.0268321403)
 A3 = (  -4.0254882003,   0.0000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof 16 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: k points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    9     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   10    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   11     1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   13     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   14    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   15     1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   16    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    196 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      2.000000
  0.153846  0.000000  0.000000      2.000000
  0.230769  0.000000  0.000000      2.000000
  0.307692  0.000000  0.000000      2.000000
  0.384615  0.000000  0.000000      2.000000
  0.461538  0.000000  0.000000      2.000000
  0.000000  0.076923  0.000000      4.000000
  0.076923  0.076923  0.000000      8.000000
  0.153846  0.076923  0.000000      8.000000
  0.230769  0.076923  0.000000      8.000000
  0.307692  0.076923  0.000000      8.000000
  0.384615  0.076923  0.000000      8.000000
  0.461538  0.076923  0.000000      8.000000
  0.000000  0.153846  0.000000      4.000000
  0.076923  0.153846  0.000000      8.000000
  0.153846  0.153846  0.000000      8.000000
  0.230769  0.153846  0.000000      8.000000
  0.307692  0.153846  0.000000      8.000000
  0.384615  0.153846  0.000000      8.000000
  0.461538  0.153846  0.000000      8.000000
  0.000000  0.230769  0.000000      4.000000
  0.076923  0.230769  0.000000      8.000000
  0.153846  0.230769  0.000000      8.000000
  0.230769  0.230769  0.000000      8.000000
  0.307692  0.230769  0.000000      8.000000
  0.384615  0.230769  0.000000      8.000000
  0.461538  0.230769  0.000000      8.000000
  0.000000  0.307692  0.000000      4.000000
  0.076923  0.307692  0.000000      8.000000
  0.153846  0.307692  0.000000      8.000000
  0.230769  0.307692  0.000000      8.000000
  0.307692  0.307692  0.000000      8.000000
  0.384615  0.307692  0.000000      8.000000
  0.461538  0.307692  0.000000      8.000000
  0.000000  0.384615  0.000000      4.000000
  0.076923  0.384615  0.000000      8.000000
  0.153846  0.384615  0.000000      8.000000
  0.230769  0.384615  0.000000      8.000000
  0.307692  0.384615  0.000000      8.000000
  0.384615  0.384615  0.000000      8.000000
  0.461538  0.384615  0.000000      8.000000
  0.000000  0.461538  0.000000      4.000000
  0.076923  0.461538  0.000000      8.000000
  0.153846  0.461538  0.000000      8.000000
  0.230769  0.461538  0.000000      8.000000
  0.307692  0.461538  0.000000      8.000000
  0.384615  0.461538  0.000000      8.000000
  0.461538  0.461538  0.000000      8.000000
  0.000000  0.076923  0.076923      4.000000
  0.076923  0.076923  0.076923      8.000000
  0.153846  0.076923  0.076923      8.000000
  0.230769  0.076923  0.076923      8.000000
  0.307692  0.076923  0.076923      8.000000
  0.384615  0.076923  0.076923      8.000000
  0.461538  0.076923  0.076923      8.000000
  0.000000  0.153846  0.076923      8.000000
  0.076923  0.153846  0.076923     16.000000
  0.153846  0.153846  0.076923     16.000000
  0.230769  0.153846  0.076923     16.000000
  0.307692  0.153846  0.076923     16.000000
  0.384615  0.153846  0.076923     16.000000
  0.461538  0.153846  0.076923     16.000000
  0.000000  0.230769  0.076923      8.000000
  0.076923  0.230769  0.076923     16.000000
  0.153846  0.230769  0.076923     16.000000
  0.230769  0.230769  0.076923     16.000000
  0.307692  0.230769  0.076923     16.000000
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 writing wavefunctions
     LOOP+:  cpu time  128.7531: real time  128.8605
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0    95425. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      45072. kBytes
   fftplans  :       1025. kBytes
   grid      :       2156. kBytes
   one-center:         12. kBytes
   wavefun   :      17160. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     4066.677
                            User time (sec):     1420.026
                          System time (sec):     2646.652
                         Elapsed time (sec):     4074.122
  
                   Maximum memory used (kb):      404756.
                   Average memory used (kb):           0.
  
                          Minor page faults:       281616
                          Major page faults:          516
                 Voluntary context switches:         2432
