 vasp.5.3.2 13Sep12 (build Mar 19 2013 10:46:17) complex

 executed on             LinuxIFC date 2013.12.05  17:01:31
 serial version


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


 INCAR:
 POTCAR:  PAW_PBE Ac 06Sep2000
 POTCAR:  PAW_PBE Ag 06Sep2000
 POTCAR:  PAW_PBE Ac 06Sep2000
   VRHFIN =Ac:
   LEXCH  = PE
   EATOM  =   812.3392 eV,   59.7052 Ry

   TITEL  = PAW_PBE Ac 06Sep2000
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    2.000    partial core radius
   POMASS =  227.028; ZVAL   =   11.000    mass and valenz
   RCORE  =    2.900    outmost cutoff radius
   RWIGS  =    2.900; RWIGS  =    1.535    wigner-seitz radius (au A)
   ENMAX  =  172.237; ENMIN  =  129.178 eV
   RCLOC  =    2.010    cutoff for local pot
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  543.281
   DEXC   =    -.001
   RMAX   =    3.513    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.904    radius for radial grids
   QCUT   =   -3.558; QGAM   =    7.116    optimization parameters

   Description
     l     E      TYP  RCUT    TYP  RCUT
     0   .000     23  2.880
     0   .000     23  2.880
     1   .000     23  2.900
     1   .000     23  2.900
     2   .000     23  2.900
     2   .000     23  2.900
     3   .000     23  2.900
     3   .100     23  2.900
  local pseudopotential read in
  partial core-charges 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
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           3  read in
    real space projection operators read in
  non local Contribution for L=           3  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           8
   number of lm-projection operators is LMMAX =          32

 POTCAR:  PAW_PBE Ag 06Sep2000
   VRHFIN =Ag : s1 d10
   LEXCH  = PE
   EATOM  =  1037.4134 eV,   76.2477 Ry

   TITEL  = PAW_PBE Ag 06Sep2000
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    2.000    partial core radius
   POMASS =  107.868; ZVAL   =   11.000    mass and valenz
   RCORE  =    2.400    outmost cutoff radius
   RWIGS  =    2.840; RWIGS  =    1.503    wigner-seitz radius (au A)
   ENMAX  =  249.846; ENMIN  =  187.385 eV
   RCLOC  =    1.962    cutoff for local pot
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  412.496
   DEXC   =    -.047
   RMAX   =    2.917    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.416    radius for radial grids
   QCUT   =   -4.285; QGAM   =    8.570    optimization parameters

   Description
     l     E      TYP  RCUT    TYP  RCUT
     2   .000     23  2.400
     2   .000     23  2.400
     0   .000     23  2.400
     0   .000     23  2.400
     1  -.200     23  2.400
     1  1.500     23  2.400
     3   .000      7   .000
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  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=           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  =           6
   number of lm-projection operators is LMMAX =          18

PAW_PBE Ac 06Sep2000                    :
 energy of atom  1       EATOM= -812.3392
 kinetic energy error for atom=    0.0062 (will be added to EATOM!!)
PAW_PBE Ag 06Sep2000                    :
 energy of atom  2       EATOM=-1037.4134
 kinetic energy error for atom=    0.0689 (will be added to EATOM!!)


 POSCAR: Ac Ag
  positions in direct lattice
  No initial velocities read in
 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 3.24   2 3.24   2 3.24   2 3.24   2 3.24   2 3.24
   2  0.500  0.500  0.500-   1 3.24   1 3.24   1 3.24   1 3.24   1 3.24   1 3.24

  LATTYP: Found a face centered cubic cell.
 ALAT       =     6.4793080000

  Lattice vectors:

 A1 = (   0.0000000000,   3.2396540000,   3.2396540000)
 A2 = (   3.2396540000,   0.0000000000,   3.2396540000)
 A3 = (   3.2396540000,   3.2396540000,   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
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry O_h .


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
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry O_h .


Analysis of magnetic symmetry:
=====================================================================

 Subroutine MAGSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     1 'primitive' translations


The magnetic configuration has the point symmetry O_h .


 KPOINTS: KPOINTS

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   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    4    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    5     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    6    -1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    7     1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    9     1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   10    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   11     1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   12    -1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   13     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   14    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   15     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   16    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   17     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   18    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   19     1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   20    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   21     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   22    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   23     1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   24    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   25     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   26    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   27     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   28    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   29     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   30    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   31     1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   32    -1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   33     1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   34    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   35     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   36    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   37     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   38    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   39     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   40    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   41     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   42    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   43     1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   44    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   45     1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   46    -1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   47     1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
   48    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000

 Subroutine IBZKPT returns following result:
 ===========================================

 Found    145 irreducible k-points:

 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.062500  0.000000  0.000000      8.000000
  0.125000  0.000000  0.000000      8.000000
  0.187500  0.000000  0.000000      8.000000
  0.250000  0.000000  0.000000      8.000000
  0.312500  0.000000  0.000000      8.000000
  0.375000  0.000000  0.000000      8.000000
  0.437500  0.000000  0.000000      8.000000
  0.500000  0.000000  0.000000      4.000000
  0.062500  0.062500  0.000000      6.000000
  0.125000  0.062500  0.000000     24.000000
  0.187500  0.062500  0.000000     24.000000
  0.250000  0.062500  0.000000     24.000000
  0.312500  0.062500  0.000000     24.000000
  0.375000  0.062500  0.000000     24.000000
  0.437500  0.062500  0.000000     24.000000
  0.500000  0.062500  0.000000     24.000000
 -0.437500  0.062500  0.000000     24.000000
 -0.375000  0.062500  0.000000     24.000000
 -0.312500  0.062500  0.000000     24.000000
 -0.250000  0.062500  0.000000     24.000000
 -0.187500  0.062500  0.000000     24.000000
 -0.125000  0.062500  0.000000     24.000000
 -0.062500  0.062500  0.000000     12.000000
  0.125000  0.125000  0.000000      6.000000
  0.187500  0.125000  0.000000     24.000000
  0.250000  0.125000  0.000000     24.000000
  0.312500  0.125000  0.000000     24.000000
  0.375000  0.125000  0.000000     24.000000
  0.437500  0.125000  0.000000     24.000000
  0.500000  0.125000  0.000000     24.000000
 -0.437500  0.125000  0.000000     24.000000
 -0.375000  0.125000  0.000000     24.000000
 -0.312500  0.125000  0.000000     24.000000
 -0.250000  0.125000  0.000000     24.000000
 -0.187500  0.125000  0.000000     24.000000
 -0.125000  0.125000  0.000000     12.000000
  0.187500  0.187500  0.000000      6.000000
  0.250000  0.187500  0.000000     24.000000
  0.312500  0.187500  0.000000     24.000000
  0.375000  0.187500  0.000000     24.000000
  0.437500  0.187500  0.000000     24.000000
  0.500000  0.187500  0.000000     24.000000
 -0.437500  0.187500  0.000000     24.000000
 -0.375000  0.187500  0.000000     24.000000
 -0.312500  0.187500  0.000000     24.000000
 -0.250000  0.187500  0.000000     24.000000
 -0.187500  0.187500  0.000000     12.000000
  0.250000  0.250000  0.000000      6.000000
  0.312500  0.250000  0.000000     24.000000
  0.375000  0.250000  0.000000     24.000000
  0.437500  0.250000  0.000000     24.000000
  0.500000  0.250000  0.000000     24.000000
 -0.437500  0.250000  0.000000     24.000000
 -0.375000  0.250000  0.000000     24.000000
 -0.312500  0.250000  0.000000     24.000000
 -0.250000  0.250000  0.000000     12.000000
  0.312500  0.312500  0.000000      6.000000
  0.375000  0.312500  0.000000     24.000000
  0.437500  0.312500  0.000000     24.000000
  0.500000  0.312500  0.000000     24.000000
 -0.437500  0.312500  0.000000     24.000000
 -0.375000  0.312500  0.000000     24.000000
 -0.312500  0.312500  0.000000     12.000000
  0.375000  0.375000  0.000000      6.000000
  0.437500  0.375000  0.000000     24.000000
  0.500000  0.375000  0.000000     24.000000
 -0.437500  0.375000  0.000000     24.000000
 -0.375000  0.375000  0.000000     12.000000
  0.437500  0.437500  0.000000      6.000000
  0.500000  0.437500  0.000000     24.000000
 -0.437500  0.437500  0.000000     12.000000
  0.500000  0.500000  0.000000      3.000000
  0.187500  0.125000  0.062500     24.000000
  0.250000  0.125000  0.062500     48.000000
  0.312500  0.125000  0.062500     48.000000
  0.375000  0.125000  0.062500     48.000000
  0.437500  0.125000  0.062500     48.000000
  0.500000  0.125000  0.062500     48.000000
 -0.437500  0.125000  0.062500     24.000000
  0.250000  0.187500  0.062500     24.000000
  0.312500  0.187500  0.062500     48.000000
  0.375000  0.187500  0.062500     48.000000
  0.437500  0.187500  0.062500     48.000000
  0.500000  0.187500  0.062500     48.000000
 -0.437500  0.187500  0.062500     48.000000
 -0.375000  0.187500  0.062500     48.000000
 -0.312500  0.187500  0.062500     48.000000
 -0.250000  0.187500  0.062500     48.000000
 -0.187500  0.187500  0.062500     48.000000
 -0.125000  0.187500  0.062500     24.000000
  0.312500  0.250000  0.062500     24.000000
  0.375000  0.250000  0.062500     48.000000
  0.437500  0.250000  0.062500     48.000000
  0.500000  0.250000  0.062500     48.000000
 -0.437500  0.250000  0.062500     48.000000
 -0.375000  0.250000  0.062500     48.000000
 -0.312500  0.250000  0.062500     48.000000
 -0.250000  0.250000  0.062500     48.000000
 -0.187500  0.250000  0.062500     24.000000
  0.375000  0.312500  0.062500     24.000000
  0.437500  0.312500  0.062500     48.000000
  0.500000  0.312500  0.062500     48.000000
 -0.437500  0.312500  0.062500     48.000000
 -0.375000  0.312500  0.062500     48.000000
 -0.312500  0.312500  0.062500     48.000000
 -0.250000  0.312500  0.062500     24.000000
  0.437500  0.375000  0.062500     24.000000
  0.500000  0.375000  0.062500     48.000000
 -0.437500  0.375000  0.062500     48.000000
 -0.375000  0.375000  0.062500     48.000000
 -0.312500  0.375000  0.062500     24.000000
  0.500000  0.437500  0.062500     24.000000
 -0.437500  0.437500  0.062500     48.000000
 -0.375000  0.437500  0.062500     24.000000
 -0.437500  0.500000  0.062500     12.000000
  0.375000  0.250000  0.125000     24.000000
  0.437500  0.250000  0.125000     48.000000
  0.500000  0.250000  0.125000     48.000000
 -0.437500  0.250000  0.125000     48.000000
 -0.375000  0.250000  0.125000     24.000000
  0.437500  0.312500  0.125000     24.000000
  0.500000  0.312500  0.125000     48.000000
 -0.437500  0.312500  0.125000     48.000000
 -0.375000  0.312500  0.125000     48.000000
 -0.312500  0.312500  0.125000     48.000000
 -0.250000  0.312500  0.125000     48.000000
 -0.187500  0.312500  0.125000     24.000000
  0.500000  0.375000  0.125000     24.000000
 -0.437500  0.375000  0.125000     48.000000
 -0.375000  0.375000  0.125000     48.000000
 -0.312500  0.375000  0.125000     48.000000
 -0.250000  0.375000  0.125000     24.000000
 -0.437500  0.437500  0.125000     24.000000
 -0.375000  0.437500  0.125000     48.000000
 -0.312500  0.437500  0.125000     24.000000
 -0.375000  0.500000  0.125000     12.000000
 -0.437500  0.375000  0.187500     24.000000
 -0.375000  0.375000  0.187500     48.000000
 -0.312500  0.375000  0.187500     24.000000
 -0.375000  0.437500  0.187500     24.000000
 -0.312500  0.437500  0.187500     48.000000
 -0.250000  0.437500  0.187500     24.000000
 -0.312500  0.500000  0.187500     12.000000
 -0.250000  0.500000  0.250000      6.000000

 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 -0.009646  0.009646  0.009646      8.000000
 -0.019292  0.019292  0.019292      8.000000
 -0.028938  0.028938  0.028938      8.000000
 -0.038584  0.038584  0.038584      8.000000
 -0.048230  0.048230  0.048230      8.000000
 -0.057877  0.057877  0.057877      8.000000
 -0.067523  0.067523  0.067523      8.000000
 -0.077169  0.077169  0.077169      4.000000
  0.000000  0.000000  0.019292      6.000000
 -0.009646  0.009646  0.028938     24.000000
 -0.019292  0.019292  0.038584     24.000000
 -0.028938  0.028938  0.048230     24.000000
 -0.038584  0.038584  0.057877     24.000000
 -0.048230  0.048230  0.067523     24.000000
 -0.057877  0.057877  0.077169     24.000000
 -0.067523  0.067523  0.086815     24.000000
  0.077169 -0.077169 -0.057877     24.000000
  0.067523 -0.067523 -0.048230     24.000000
  0.057877 -0.057877 -0.038584     24.000000
  0.048230 -0.048230 -0.028938     24.000000
  0.038584 -0.038584 -0.019292     24.000000
  0.028938 -0.028938 -0.009646     24.000000
  0.019292 -0.019292  0.000000     12.000000
  0.000000  0.000000  0.038584      6.000000
 -0.009646  0.009646  0.048230     24.000000
 -0.019292  0.019292  0.057877     24.000000
 -0.028938  0.028938  0.067523     24.000000
 -0.038584  0.038584  0.077169     24.000000
 -0.048230  0.048230  0.086815     24.000000
 -0.057877  0.057877  0.096461     24.000000
  0.086815 -0.086815 -0.048230     24.000000
  0.077169 -0.077169 -0.038584     24.000000
  0.067523 -0.067523 -0.028938     24.000000
  0.057877 -0.057877 -0.019292     24.000000
  0.048230 -0.048230 -0.009646     24.000000
  0.038584 -0.038584  0.000000     12.000000
  0.000000  0.000000  0.057877      6.000000
 -0.009646  0.009646  0.067523     24.000000
 -0.019292  0.019292  0.077169     24.000000
 -0.028938  0.028938  0.086815     24.000000
 -0.038584  0.038584  0.096461     24.000000
 -0.048230  0.048230  0.106107     24.000000
  0.096461 -0.096461 -0.038584     24.000000
  0.086815 -0.086815 -0.028938     24.000000
  0.077169 -0.077169 -0.019292     24.000000
  0.067523 -0.067523 -0.009646     24.000000
  0.057877 -0.057877  0.000000     12.000000
  0.000000  0.000000  0.077169      6.000000
 -0.009646  0.009646  0.086815     24.000000
 -0.019292  0.019292  0.096461     24.000000
 -0.028938  0.028938  0.106107     24.000000
 -0.038584  0.038584  0.115753     24.000000
  0.106107 -0.106107 -0.028938     24.000000
  0.096461 -0.096461 -0.019292     24.000000
  0.086815 -0.086815 -0.009646     24.000000
  0.077169 -0.077169  0.000000     12.000000
  0.000000  0.000000  0.096461      6.000000
 -0.009646  0.009646  0.106107     24.000000
 -0.019292  0.019292  0.115753     24.000000
 -0.028938  0.028938  0.125399     24.000000
  0.115753 -0.115753 -0.019292     24.000000
  0.106107 -0.106107 -0.009646     24.000000
  0.096461 -0.096461  0.000000     12.000000
  0.000000  0.000000  0.115753      6.000000
 -0.009646  0.009646  0.125399     24.000000
 -0.019292  0.019292  0.135045     24.000000
  0.125399 -0.125399 -0.009646     24.000000
  0.115753 -0.115753  0.000000     12.000000
  0.000000  0.000000  0.135045      6.000000
 -0.009646  0.009646  0.144691     24.000000
  0.135045 -0.135045  0.000000     12.000000
  0.000000  0.000000  0.154337      3.000000
  0.000000  0.019292  0.038584     24.000000
 -0.009646  0.028938  0.048230     48.000000
 -0.019292  0.038584  0.057877     48.000000
 -0.028938  0.048230  0.067523     48.000000
 -0.038584  0.057877  0.077169     48.000000
 -0.048230  0.067523  0.086815     48.000000
  0.096461 -0.077169 -0.057877     24.000000
  0.000000  0.019292  0.057877     24.000000
 -0.009646  0.028938  0.067523     48.000000
 -0.019292  0.038584  0.077169     48.000000
 -0.028938  0.048230  0.086815     48.000000
 -0.038584  0.057877  0.096461     48.000000
  0.106107 -0.086815 -0.048230     48.000000
  0.096461 -0.077169 -0.038584     48.000000
  0.086815 -0.067523 -0.028938     48.000000
  0.077169 -0.057877 -0.019292     48.000000
  0.067523 -0.048230 -0.009646     48.000000
  0.057877 -0.038584  0.000000     24.000000
  0.000000  0.019292  0.077169     24.000000
 -0.009646  0.028938  0.086815     48.000000
 -0.019292  0.038584  0.096461     48.000000
 -0.028938  0.048230  0.106107     48.000000
  0.115753 -0.096461 -0.038584     48.000000
  0.106107 -0.086815 -0.028938     48.000000
  0.096461 -0.077169 -0.019292     48.000000
  0.086815 -0.067523 -0.009646     48.000000
  0.077169 -0.057877  0.000000     24.000000
  0.000000  0.019292  0.096461     24.000000
 -0.009646  0.028938  0.106107     48.000000
 -0.019292  0.038584  0.115753     48.000000
  0.125399 -0.106107 -0.028938     48.000000
  0.115753 -0.096461 -0.019292     48.000000
  0.106107 -0.086815 -0.009646     48.000000
  0.096461 -0.077169  0.000000     24.000000
  0.000000  0.019292  0.115753     24.000000
 -0.009646  0.028938  0.125399     48.000000
  0.135045 -0.115753 -0.019292     48.000000
  0.125399 -0.106107 -0.009646     48.000000
  0.115753 -0.096461  0.000000     24.000000
  0.000000  0.019292  0.135045     24.000000
  0.144691 -0.125399 -0.009646     48.000000
  0.135045 -0.115753  0.000000     24.000000
  0.154337 -0.135045  0.000000     12.000000
  0.000000  0.038584  0.077169     24.000000
 -0.009646  0.048230  0.086815     48.000000
 -0.019292  0.057877  0.096461     48.000000
  0.125399 -0.086815 -0.048230     48.000000
  0.115753 -0.077169 -0.038584     24.000000
  0.000000  0.038584  0.096461     24.000000
 -0.009646  0.048230  0.106107     48.000000
  0.135045 -0.096461 -0.038584     48.000000
  0.125399 -0.086815 -0.028938     48.000000
  0.115753 -0.077169 -0.019292     48.000000
  0.106107 -0.067523 -0.009646     48.000000
  0.096461 -0.057877  0.000000     24.000000
  0.000000  0.038584  0.115753     24.000000
  0.144691 -0.106107 -0.028938     48.000000
  0.135045 -0.096461 -0.019292     48.000000
  0.125399 -0.086815 -0.009646     48.000000
  0.115753 -0.077169  0.000000     24.000000
  0.154337 -0.115753 -0.019292     24.000000
  0.144691 -0.106107 -0.009646     48.000000
  0.135045 -0.096461  0.000000     24.000000
  0.154337 -0.115753  0.000000     12.000000
  0.154337 -0.096461 -0.038584     24.000000
  0.144691 -0.086815 -0.028938     48.000000
  0.135045 -0.077169 -0.019292     24.000000
  0.154337 -0.096461 -0.019292     24.000000
  0.144691 -0.086815 -0.009646     48.000000
  0.135045 -0.077169  0.000000     24.000000
  0.154337 -0.096461  0.000000     12.000000
  0.154337 -0.077169  0.000000      6.000000



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




 Dimension of arrays:
   k-points           NKPTS =    145   k-points in BZ     NKDIM =    145   number of bands    NBANDS=     18
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      8   non local SUM 2l+1 LMDIM =     32
   total plane-waves  NPLWV =  13824
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  12024
   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   1
 NGX,Y,Z   is equivalent  to a cutoff of   8.71,  8.71,  8.71 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  17.42, 17.42, 17.42 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   24
 SYSTEM =  unknown system
 POSCAR =  Ac Ag

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = acc       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  =      2    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  =  249.8 eV  18.36 Ry    4.28 a.u.   5.90  5.90  5.90*2*pi/ulx,y,z
   ENINI  =  249.8     initial cutoff
   ENAUG  =  543.3 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  5; NELMDL= -5     # of ELM steps
   EDIFF  = 0.1E-03   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 = 0.1E-02   stopping-criterion for IOM
   NSW    =     60    number of steps for IOM
   NBLOCK =      1;   KBLOCK =     60    inner block; outer block
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    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  = 0.5000    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 =****** mass=  -0.480E-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 = 227.03107.87
  Ionic Valenz
   ZVAL   =  11.00 11.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights
   VCA    =   1.00  1.00
   NELECT =      22.0000    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  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     68    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      T    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 =  0.14E-05  absolut break condition
   DEPER  =   0.30     relativ break condition

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      34.00       229.45
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.123847  2.123762 17.184587  1.263032
  Thomas-Fermi vector in A             =   2.260515

 Write flags
   LWAVE  =      F    write 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 =     11    0 simple, 1 ext, 2 COOP (PROOUT)


 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

 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



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


 conjugate gradient relaxation of ions
 charge density and potential will be updated during run
 spin polarized calculation
 RMM-DIIS sequential band-by-band and
  variant of blocked Davidson during initial phase
 perform sub-space diagonalisation
    before 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)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      249.80
  volume of cell :       68.00
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  3.239654000  3.239654000    -0.154337469  0.154337469  0.154337469
     3.239654000  0.000000000  3.239654000     0.154337469 -0.154337469  0.154337469
     3.239654000  3.239654000  0.000000000     0.154337469  0.154337469 -0.154337469

  length of vectors
     4.581562624  4.581562624  4.581562624     0.267320338  0.267320338  0.267320338



 k-points in units of 2pi/SCALE and weight: KPOINTS
   0.00000000  0.00000000  0.00000000       0.000
  -0.00964609  0.00964609  0.00964609       0.002
  -0.01929218  0.01929218  0.01929218       0.002
  -0.02893828  0.02893828  0.02893828       0.002
  -0.03858437  0.03858437  0.03858437       0.002
  -0.04823046  0.04823046  0.04823046       0.002
  -0.05787655  0.05787655  0.05787655       0.002
  -0.06752264  0.06752264  0.06752264       0.002
  -0.07716873  0.07716873  0.07716873       0.001
   0.00000000  0.00000000  0.01929218       0.001
  -0.00964609  0.00964609  0.02893828       0.006
  -0.01929218  0.01929218  0.03858437       0.006
  -0.02893828  0.02893828  0.04823046       0.006
  -0.03858437  0.03858437  0.05787655       0.006
  -0.04823046  0.04823046  0.06752264       0.006
  -0.05787655  0.05787655  0.07716873       0.006
  -0.06752264  0.06752264  0.08681483       0.006
   0.07716873 -0.07716873 -0.05787655       0.006
   0.06752264 -0.06752264 -0.04823046       0.006
   0.05787655 -0.05787655 -0.03858437       0.006
   0.04823046 -0.04823046 -0.02893828       0.006
   0.03858437 -0.03858437 -0.01929218       0.006
   0.02893828 -0.02893828 -0.00964609       0.006
   0.01929218 -0.01929218  0.00000000       0.003
   0.00000000  0.00000000  0.03858437       0.001
  -0.00964609  0.00964609  0.04823046       0.006
  -0.01929218  0.01929218  0.05787655       0.006
  -0.02893828  0.02893828  0.06752264       0.006
  -0.03858437  0.03858437  0.07716873       0.006
  -0.04823046  0.04823046  0.08681483       0.006
  -0.05787655  0.05787655  0.09646092       0.006
   0.08681483 -0.08681483 -0.04823046       0.006
   0.07716873 -0.07716873 -0.03858437       0.006
   0.06752264 -0.06752264 -0.02893828       0.006
   0.05787655 -0.05787655 -0.01929218       0.006
   0.04823046 -0.04823046 -0.00964609       0.006
   0.03858437 -0.03858437  0.00000000       0.003
   0.00000000  0.00000000  0.05787655       0.001
  -0.00964609  0.00964609  0.06752264       0.006
  -0.01929218  0.01929218  0.07716873       0.006
  -0.02893828  0.02893828  0.08681483       0.006
  -0.03858437  0.03858437  0.09646092       0.006
  -0.04823046  0.04823046  0.10610701       0.006
   0.09646092 -0.09646092 -0.03858437       0.006
   0.08681483 -0.08681483 -0.02893828       0.006
   0.07716873 -0.07716873 -0.01929218       0.006
   0.06752264 -0.06752264 -0.00964609       0.006
   0.05787655 -0.05787655  0.00000000       0.003
   0.00000000  0.00000000  0.07716873       0.001
  -0.00964609  0.00964609  0.08681483       0.006
  -0.01929218  0.01929218  0.09646092       0.006
  -0.02893828  0.02893828  0.10610701       0.006
  -0.03858437  0.03858437  0.11575310       0.006
   0.10610701 -0.10610701 -0.02893828       0.006
   0.09646092 -0.09646092 -0.01929218       0.006
   0.08681483 -0.08681483 -0.00964609       0.006
   0.07716873 -0.07716873  0.00000000       0.003
   0.00000000  0.00000000  0.09646092       0.001
  -0.00964609  0.00964609  0.10610701       0.006
  -0.01929218  0.01929218  0.11575310       0.006
  -0.02893828  0.02893828  0.12539919       0.006
   0.11575310 -0.11575310 -0.01929218       0.006
   0.10610701 -0.10610701 -0.00964609       0.006
   0.09646092 -0.09646092  0.00000000       0.003
   0.00000000  0.00000000  0.11575310       0.001
  -0.00964609  0.00964609  0.12539919       0.006
  -0.01929218  0.01929218  0.13504529       0.006
   0.12539919 -0.12539919 -0.00964609       0.006
   0.11575310 -0.11575310  0.00000000       0.003
   0.00000000  0.00000000  0.13504529       0.001
  -0.00964609  0.00964609  0.14469138       0.006
   0.13504529 -0.13504529  0.00000000       0.003
   0.00000000  0.00000000  0.15433747       0.001
   0.00000000  0.01929218  0.03858437       0.006
  -0.00964609  0.02893828  0.04823046       0.012
  -0.01929218  0.03858437  0.05787655       0.012
  -0.02893828  0.04823046  0.06752264       0.012
  -0.03858437  0.05787655  0.07716873       0.012
  -0.04823046  0.06752264  0.08681483       0.012
   0.09646092 -0.07716873 -0.05787655       0.006
   0.00000000  0.01929218  0.05787655       0.006
  -0.00964609  0.02893828  0.06752264       0.012
  -0.01929218  0.03858437  0.07716873       0.012
  -0.02893828  0.04823046  0.08681483       0.012
  -0.03858437  0.05787655  0.09646092       0.012
   0.10610701 -0.08681483 -0.04823046       0.012
   0.09646092 -0.07716873 -0.03858437       0.012
   0.08681483 -0.06752264 -0.02893828       0.012
   0.07716873 -0.05787655 -0.01929218       0.012
   0.06752264 -0.04823046 -0.00964609       0.012
   0.05787655 -0.03858437  0.00000000       0.006
   0.00000000  0.01929218  0.07716873       0.006
  -0.00964609  0.02893828  0.08681483       0.012
  -0.01929218  0.03858437  0.09646092       0.012
  -0.02893828  0.04823046  0.10610701       0.012
   0.11575310 -0.09646092 -0.03858437       0.012
   0.10610701 -0.08681483 -0.02893828       0.012
   0.09646092 -0.07716873 -0.01929218       0.012
   0.08681483 -0.06752264 -0.00964609       0.012
   0.07716873 -0.05787655  0.00000000       0.006
   0.00000000  0.01929218  0.09646092       0.006
  -0.00964609  0.02893828  0.10610701       0.012
  -0.01929218  0.03858437  0.11575310       0.012
   0.12539919 -0.10610701 -0.02893828       0.012
   0.11575310 -0.09646092 -0.01929218       0.012
   0.10610701 -0.08681483 -0.00964609       0.012
   0.09646092 -0.07716873  0.00000000       0.006
   0.00000000  0.01929218  0.11575310       0.006
  -0.00964609  0.02893828  0.12539919       0.012
   0.13504529 -0.11575310 -0.01929218       0.012
   0.12539919 -0.10610701 -0.00964609       0.012
   0.11575310 -0.09646092  0.00000000       0.006
   0.00000000  0.01929218  0.13504529       0.006
   0.14469138 -0.12539919 -0.00964609       0.012
   0.13504529 -0.11575310  0.00000000       0.006
   0.15433747 -0.13504529  0.00000000       0.003
   0.00000000  0.03858437  0.07716873       0.006
  -0.00964609  0.04823046  0.08681483       0.012
  -0.01929218  0.05787655  0.09646092       0.012
   0.12539919 -0.08681483 -0.04823046       0.012
   0.11575310 -0.07716873 -0.03858437       0.006
   0.00000000  0.03858437  0.09646092       0.006
  -0.00964609  0.04823046  0.10610701       0.012
   0.13504529 -0.09646092 -0.03858437       0.012
   0.12539919 -0.08681483 -0.02893828       0.012
   0.11575310 -0.07716873 -0.01929218       0.012
   0.10610701 -0.06752264 -0.00964609       0.012
   0.09646092 -0.05787655  0.00000000       0.006
   0.00000000  0.03858437  0.11575310       0.006
   0.14469138 -0.10610701 -0.02893828       0.012
   0.13504529 -0.09646092 -0.01929218       0.012
   0.12539919 -0.08681483 -0.00964609       0.012
   0.11575310 -0.07716873  0.00000000       0.006
   0.15433747 -0.11575310 -0.01929218       0.006
   0.14469138 -0.10610701 -0.00964609       0.012
   0.13504529 -0.09646092  0.00000000       0.006
   0.15433747 -0.11575310  0.00000000       0.003
   0.15433747 -0.09646092 -0.03858437       0.006
   0.14469138 -0.08681483 -0.02893828       0.012
   0.13504529 -0.07716873 -0.01929218       0.006
   0.15433747 -0.09646092 -0.01929218       0.006
   0.14469138 -0.08681483 -0.00964609       0.012
   0.13504529 -0.07716873  0.00000000       0.006
   0.15433747 -0.09646092  0.00000000       0.003
   0.15433747 -0.07716873  0.00000000       0.001

 k-points in reciprocal lattice and weights: KPOINTS
   0.00000000  0.00000000  0.00000000       0.000
   0.06250000  0.00000000  0.00000000       0.002
   0.12500000  0.00000000  0.00000000       0.002
   0.18750000  0.00000000  0.00000000       0.002
   0.25000000  0.00000000  0.00000000       0.002
   0.31250000  0.00000000  0.00000000       0.002
   0.37500000  0.00000000  0.00000000       0.002
   0.43750000  0.00000000  0.00000000       0.002
   0.50000000  0.00000000  0.00000000       0.001
   0.06250000  0.06250000  0.00000000       0.001
   0.12500000  0.06250000  0.00000000       0.006
   0.18750000  0.06250000  0.00000000       0.006
   0.25000000  0.06250000  0.00000000       0.006
   0.31250000  0.06250000  0.00000000       0.006
   0.37500000  0.06250000  0.00000000       0.006
   0.43750000  0.06250000  0.00000000       0.006
   0.50000000  0.06250000  0.00000000       0.006
  -0.43750000  0.06250000  0.00000000       0.006
  -0.37500000  0.06250000  0.00000000       0.006
  -0.31250000  0.06250000  0.00000000       0.006
  -0.25000000  0.06250000  0.00000000       0.006
  -0.18750000  0.06250000  0.00000000       0.006
  -0.12500000  0.06250000  0.00000000       0.006
  -0.06250000  0.06250000  0.00000000       0.003
   0.12500000  0.12500000  0.00000000       0.001
   0.18750000  0.12500000  0.00000000       0.006
   0.25000000  0.12500000  0.00000000       0.006
   0.31250000  0.12500000  0.00000000       0.006
   0.37500000  0.12500000  0.00000000       0.006
   0.43750000  0.12500000  0.00000000       0.006
   0.50000000  0.12500000  0.00000000       0.006
  -0.43750000  0.12500000  0.00000000       0.006
  -0.37500000  0.12500000  0.00000000       0.006
  -0.31250000  0.12500000  0.00000000       0.006
  -0.25000000  0.12500000  0.00000000       0.006
  -0.18750000  0.12500000  0.00000000       0.006
  -0.12500000  0.12500000  0.00000000       0.003
   0.18750000  0.18750000  0.00000000       0.001
   0.25000000  0.18750000  0.00000000       0.006
   0.31250000  0.18750000  0.00000000       0.006
   0.37500000  0.18750000  0.00000000       0.006
   0.43750000  0.18750000  0.00000000       0.006
   0.50000000  0.18750000  0.00000000       0.006
  -0.43750000  0.18750000  0.00000000       0.006
  -0.37500000  0.18750000  0.00000000       0.006
  -0.31250000  0.18750000  0.00000000       0.006
  -0.25000000  0.18750000  0.00000000       0.006
  -0.18750000  0.18750000  0.00000000       0.003
   0.25000000  0.25000000  0.00000000       0.001
   0.31250000  0.25000000  0.00000000       0.006
   0.37500000  0.25000000  0.00000000       0.006
   0.43750000  0.25000000  0.00000000       0.006
   0.50000000  0.25000000  0.00000000       0.006
  -0.43750000  0.25000000  0.00000000       0.006
  -0.37500000  0.25000000  0.00000000       0.006
  -0.31250000  0.25000000  0.00000000       0.006
  -0.25000000  0.25000000  0.00000000       0.003
   0.31250000  0.31250000  0.00000000       0.001
   0.37500000  0.31250000  0.00000000       0.006
   0.43750000  0.31250000  0.00000000       0.006
   0.50000000  0.31250000  0.00000000       0.006
  -0.43750000  0.31250000  0.00000000       0.006
  -0.37500000  0.31250000  0.00000000       0.006
  -0.31250000  0.31250000  0.00000000       0.003
   0.37500000  0.37500000  0.00000000       0.001
   0.43750000  0.37500000  0.00000000       0.006
   0.50000000  0.37500000  0.00000000       0.006
  -0.43750000  0.37500000  0.00000000       0.006
  -0.37500000  0.37500000  0.00000000       0.003
   0.43750000  0.43750000  0.00000000       0.001
   0.50000000  0.43750000  0.00000000       0.006
  -0.43750000  0.43750000  0.00000000       0.003
   0.50000000  0.50000000  0.00000000       0.001
   0.18750000  0.12500000  0.06250000       0.006
   0.25000000  0.12500000  0.06250000       0.012
   0.31250000  0.12500000  0.06250000       0.012
   0.37500000  0.12500000  0.06250000       0.012
   0.43750000  0.12500000  0.06250000       0.012
   0.50000000  0.12500000  0.06250000       0.012
  -0.43750000  0.12500000  0.06250000       0.006
   0.25000000  0.18750000  0.06250000       0.006
   0.31250000  0.18750000  0.06250000       0.012
   0.37500000  0.18750000  0.06250000       0.012
   0.43750000  0.18750000  0.06250000       0.012
   0.50000000  0.18750000  0.06250000       0.012
  -0.43750000  0.18750000  0.06250000       0.012
  -0.37500000  0.18750000  0.06250000       0.012
  -0.31250000  0.18750000  0.06250000       0.012
  -0.25000000  0.18750000  0.06250000       0.012
  -0.18750000  0.18750000  0.06250000       0.012
  -0.12500000  0.18750000  0.06250000       0.006
   0.31250000  0.25000000  0.06250000       0.006
   0.37500000  0.25000000  0.06250000       0.012
   0.43750000  0.25000000  0.06250000       0.012
   0.50000000  0.25000000  0.06250000       0.012
  -0.43750000  0.25000000  0.06250000       0.012
  -0.37500000  0.25000000  0.06250000       0.012
  -0.31250000  0.25000000  0.06250000       0.012
  -0.25000000  0.25000000  0.06250000       0.012
  -0.18750000  0.25000000  0.06250000       0.006
   0.37500000  0.31250000  0.06250000       0.006
   0.43750000  0.31250000  0.06250000       0.012
   0.50000000  0.31250000  0.06250000       0.012
  -0.43750000  0.31250000  0.06250000       0.012
  -0.37500000  0.31250000  0.06250000       0.012
  -0.31250000  0.31250000  0.06250000       0.012
  -0.25000000  0.31250000  0.06250000       0.006
   0.43750000  0.37500000  0.06250000       0.006
   0.50000000  0.37500000  0.06250000       0.012
  -0.43750000  0.37500000  0.06250000       0.012
  -0.37500000  0.37500000  0.06250000       0.012
  -0.31250000  0.37500000  0.06250000       0.006
   0.50000000  0.43750000  0.06250000       0.006
  -0.43750000  0.43750000  0.06250000       0.012
  -0.37500000  0.43750000  0.06250000       0.006
  -0.43750000  0.50000000  0.06250000       0.003
   0.37500000  0.25000000  0.12500000       0.006
   0.43750000  0.25000000  0.12500000       0.012
   0.50000000  0.25000000  0.12500000       0.012
  -0.43750000  0.25000000  0.12500000       0.012
  -0.37500000  0.25000000  0.12500000       0.006
   0.43750000  0.31250000  0.12500000       0.006
   0.50000000  0.31250000  0.12500000       0.012
  -0.43750000  0.31250000  0.12500000       0.012
  -0.37500000  0.31250000  0.12500000       0.012
  -0.31250000  0.31250000  0.12500000       0.012
  -0.25000000  0.31250000  0.12500000       0.012
  -0.18750000  0.31250000  0.12500000       0.006
   0.50000000  0.37500000  0.12500000       0.006
  -0.43750000  0.37500000  0.12500000       0.012
  -0.37500000  0.37500000  0.12500000       0.012
  -0.31250000  0.37500000  0.12500000       0.012
  -0.25000000  0.37500000  0.12500000       0.006
  -0.43750000  0.43750000  0.12500000       0.006
  -0.37500000  0.43750000  0.12500000       0.012
  -0.31250000  0.43750000  0.12500000       0.006
  -0.37500000  0.50000000  0.12500000       0.003
  -0.43750000  0.37500000  0.18750000       0.006
  -0.37500000  0.37500000  0.18750000       0.012
  -0.31250000  0.37500000  0.18750000       0.006
  -0.37500000  0.43750000  0.18750000       0.006
  -0.31250000  0.43750000  0.18750000       0.012
  -0.25000000  0.43750000  0.18750000       0.006
  -0.31250000  0.50000000  0.18750000       0.003
  -0.25000000  0.50000000  0.25000000       0.001

 position of ions in fractional coordinates (direct lattice)
   0.00000000  0.00000000  0.00000000
   0.50000100  0.50000100  0.50000100

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   3.23966049  3.23966049  3.23966049



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     609
 k-point  2 :   0.0625 0.0000 0.0000  plane waves:     606
 k-point  3 :   0.1250 0.0000 0.0000  plane waves:     603
 k-point  4 :   0.1875 0.0000 0.0000  plane waves:     592
 k-point  5 :   0.2500 0.0000 0.0000  plane waves:     607
 k-point  6 :   0.3125 0.0000 0.0000  plane waves:     607
 k-point  7 :   0.3750 0.0000 0.0000  plane waves:     607
 k-point  8 :   0.4375 0.0000 0.0000  plane waves:     604
 k-point  9 :   0.5000 0.0000 0.0000  plane waves:     610
 k-point 10 :   0.0625 0.0625 0.0000  plane waves:     605
 k-point 11 :   0.1250 0.0625 0.0000  plane waves:     601
 k-point 12 :   0.1875 0.0625 0.0000  plane waves:     600
 k-point 13 :   0.2500 0.0625 0.0000  plane waves:     603
 k-point 14 :   0.3125 0.0625 0.0000  plane waves:     603
 k-point 15 :   0.3750 0.0625 0.0000  plane waves:     606
 k-point 16 :   0.4375 0.0625 0.0000  plane waves:     604
 k-point 17 :   0.5000 0.0625 0.0000  plane waves:     608
 k-point 18 :  -0.4375 0.0625 0.0000  plane waves:     608
 k-point 19 :  -0.3750 0.0625 0.0000  plane waves:     608
 k-point 20 :  -0.3125 0.0625 0.0000  plane waves:     607
 k-point 21 :  -0.2500 0.0625 0.0000  plane waves:     607
 k-point 22 :  -0.1875 0.0625 0.0000  plane waves:     602
 k-point 23 :  -0.1250 0.0625 0.0000  plane waves:     598
 k-point 24 :  -0.0625 0.0625 0.0000  plane waves:     602
 k-point 25 :   0.1250 0.1250 0.0000  plane waves:     597
 k-point 26 :   0.1875 0.1250 0.0000  plane waves:     597
 k-point 27 :   0.2500 0.1250 0.0000  plane waves:     604
 k-point 28 :   0.3125 0.1250 0.0000  plane waves:     606
 k-point 29 :   0.3750 0.1250 0.0000  plane waves:     609
 k-point 30 :   0.4375 0.1250 0.0000  plane waves:     605
 k-point 31 :   0.5000 0.1250 0.0000  plane waves:     606
 k-point 32 :  -0.4375 0.1250 0.0000  plane waves:     605
 k-point 33 :  -0.3750 0.1250 0.0000  plane waves:     606
 k-point 34 :  -0.3125 0.1250 0.0000  plane waves:     609
 k-point 35 :  -0.2500 0.1250 0.0000  plane waves:     609
 k-point 36 :  -0.1875 0.1250 0.0000  plane waves:     607
 k-point 37 :  -0.1250 0.1250 0.0000  plane waves:     606
 k-point 38 :   0.1875 0.1875 0.0000  plane waves:     596
 k-point 39 :   0.2500 0.1875 0.0000  plane waves:     601
 k-point 40 :   0.3125 0.1875 0.0000  plane waves:     606
 k-point 41 :   0.3750 0.1875 0.0000  plane waves:     609
 k-point 42 :   0.4375 0.1875 0.0000  plane waves:     609
 k-point 43 :   0.5000 0.1875 0.0000  plane waves:     610
 k-point 44 :  -0.4375 0.1875 0.0000  plane waves:     609
 k-point 45 :  -0.3750 0.1875 0.0000  plane waves:     605
 k-point 46 :  -0.3125 0.1875 0.0000  plane waves:     608
 k-point 47 :  -0.2500 0.1875 0.0000  plane waves:     611
 k-point 48 :  -0.1875 0.1875 0.0000  plane waves:     602
 k-point 49 :   0.2500 0.2500 0.0000  plane waves:     592
 k-point 50 :   0.3125 0.2500 0.0000  plane waves:     611
 k-point 51 :   0.3750 0.2500 0.0000  plane waves:     610
 k-point 52 :   0.4375 0.2500 0.0000  plane waves:     609
 k-point 53 :   0.5000 0.2500 0.0000  plane waves:     616
 k-point 54 :  -0.4375 0.2500 0.0000  plane waves:     611
 k-point 55 :  -0.3750 0.2500 0.0000  plane waves:     609
 k-point 56 :  -0.3125 0.2500 0.0000  plane waves:     608
 k-point 57 :  -0.2500 0.2500 0.0000  plane waves:     616
 k-point 58 :   0.3125 0.3125 0.0000  plane waves:     612
 k-point 59 :   0.3750 0.3125 0.0000  plane waves:     615
 k-point 60 :   0.4375 0.3125 0.0000  plane waves:     615
 k-point 61 :   0.5000 0.3125 0.0000  plane waves:     616
 k-point 62 :  -0.4375 0.3125 0.0000  plane waves:     612
 k-point 63 :  -0.3750 0.3125 0.0000  plane waves:     612
 k-point 64 :  -0.3125 0.3125 0.0000  plane waves:     606
 k-point 65 :   0.3750 0.3750 0.0000  plane waves:     616
 k-point 66 :   0.4375 0.3750 0.0000  plane waves:     614
 k-point 67 :   0.5000 0.3750 0.0000  plane waves:     614
 k-point 68 :  -0.4375 0.3750 0.0000  plane waves:     617
 k-point 69 :  -0.3750 0.3750 0.0000  plane waves:     618
 k-point 70 :   0.4375 0.4375 0.0000  plane waves:     620
 k-point 71 :   0.5000 0.4375 0.0000  plane waves:     616
 k-point 72 :  -0.4375 0.4375 0.0000  plane waves:     616
 k-point 73 :   0.5000 0.5000 0.0000  plane waves:     620
 k-point 74 :   0.1875 0.1250 0.0625  plane waves:     597
 k-point 75 :   0.2500 0.1250 0.0625  plane waves:     599
 k-point 76 :   0.3125 0.1250 0.0625  plane waves:     608
 k-point 77 :   0.3750 0.1250 0.0625  plane waves:     608
 k-point 78 :   0.4375 0.1250 0.0625  plane waves:     609
 k-point 79 :   0.5000 0.1250 0.0625  plane waves:     606
 k-point 80 :  -0.4375 0.1250 0.0625  plane waves:     604
 k-point 81 :   0.2500 0.1875 0.0625  plane waves:     599
 k-point 82 :   0.3125 0.1875 0.0625  plane waves:     606
 k-point 83 :   0.3750 0.1875 0.0625  plane waves:     607
 k-point 84 :   0.4375 0.1875 0.0625  plane waves:     611
 k-point 85 :   0.5000 0.1875 0.0625  plane waves:     608
 k-point 86 :  -0.4375 0.1875 0.0625  plane waves:     604
 k-point 87 :  -0.3750 0.1875 0.0625  plane waves:     608
 k-point 88 :  -0.3125 0.1875 0.0625  plane waves:     610
 k-point 89 :  -0.2500 0.1875 0.0625  plane waves:     609
 k-point 90 :  -0.1875 0.1875 0.0625  plane waves:     609
 k-point 91 :  -0.1250 0.1875 0.0625  plane waves:     609
 k-point 92 :   0.3125 0.2500 0.0625  plane waves:     603
 k-point 93 :   0.3750 0.2500 0.0625  plane waves:     609
 k-point 94 :   0.4375 0.2500 0.0625  plane waves:     613
 k-point 95 :   0.5000 0.2500 0.0625  plane waves:     610
 k-point 96 :  -0.4375 0.2500 0.0625  plane waves:     613
 k-point 97 :  -0.3750 0.2500 0.0625  plane waves:     611
 k-point 98 :  -0.3125 0.2500 0.0625  plane waves:     610
 k-point 99 :  -0.2500 0.2500 0.0625  plane waves:     609
 k-point ** :  -0.1875 0.2500 0.0625  plane waves:     613
 k-point ** :   0.3750 0.3125 0.0625  plane waves:     612
 k-point ** :   0.4375 0.3125 0.0625  plane waves:     609
 k-point ** :   0.5000 0.3125 0.0625  plane waves:     611
 k-point ** :  -0.4375 0.3125 0.0625  plane waves:     614
 k-point ** :  -0.3750 0.3125 0.0625  plane waves:     614
 k-point ** :  -0.3125 0.3125 0.0625  plane waves:     612
 k-point ** :  -0.2500 0.3125 0.0625  plane waves:     610
 k-point ** :   0.4375 0.3750 0.0625  plane waves:     611
 k-point ** :   0.5000 0.3750 0.0625  plane waves:     613
 k-point ** :  -0.4375 0.3750 0.0625  plane waves:     614
 k-point ** :  -0.3750 0.3750 0.0625  plane waves:     612
 k-point ** :  -0.3125 0.3750 0.0625  plane waves:     612
 k-point ** :   0.5000 0.4375 0.0625  plane waves:     612
 k-point ** :  -0.4375 0.4375 0.0625  plane waves:     617
 k-point ** :  -0.3750 0.4375 0.0625  plane waves:     613
 k-point ** :  -0.4375 0.5000 0.0625  plane waves:     620
 k-point ** :   0.3750 0.2500 0.1250  plane waves:     608
 k-point ** :   0.4375 0.2500 0.1250  plane waves:     613
 k-point ** :   0.5000 0.2500 0.1250  plane waves:     612
 k-point ** :  -0.4375 0.2500 0.1250  plane waves:     611
 k-point ** :  -0.3750 0.2500 0.1250  plane waves:     602
 k-point ** :   0.4375 0.3125 0.1250  plane waves:     613
 k-point ** :   0.5000 0.3125 0.1250  plane waves:     610
 k-point ** :  -0.4375 0.3125 0.1250  plane waves:     616
 k-point ** :  -0.3750 0.3125 0.1250  plane waves:     614
 k-point ** :  -0.3125 0.3125 0.1250  plane waves:     612
 k-point ** :  -0.2500 0.3125 0.1250  plane waves:     610
 k-point ** :  -0.1875 0.3125 0.1250  plane waves:     613
 k-point ** :   0.5000 0.3750 0.1250  plane waves:     614
 k-point ** :  -0.4375 0.3750 0.1250  plane waves:     613
 k-point ** :  -0.3750 0.3750 0.1250  plane waves:     613
 k-point ** :  -0.3125 0.3750 0.1250  plane waves:     609
 k-point ** :  -0.2500 0.3750 0.1250  plane waves:     614
 k-point ** :  -0.4375 0.4375 0.1250  plane waves:     613
 k-point ** :  -0.3750 0.4375 0.1250  plane waves:     614
 k-point ** :  -0.3125 0.4375 0.1250  plane waves:     616
 k-point ** :  -0.3750 0.5000 0.1250  plane waves:     614
 k-point ** :  -0.4375 0.3750 0.1875  plane waves:     619
 k-point ** :  -0.3750 0.3750 0.1875  plane waves:     617
 k-point ** :  -0.3125 0.3750 0.1875  plane waves:     618
 k-point ** :  -0.3750 0.4375 0.1875  plane waves:     613
 k-point ** :  -0.3125 0.4375 0.1875  plane waves:     615
 k-point ** :  -0.2500 0.4375 0.1875  plane waves:     615
 k-point ** :  -0.3125 0.5000 0.1875  plane waves:     614
 k-point ** :  -0.2500 0.5000 0.2500  plane waves:     616

 maximum number of plane-waves:       620
 maximum index in each direction:
   IXMAX=    6   IYMAX=    5   IZMAX=    5
   IXMIN=   -6   IYMIN=   -6   IZMIN=   -6

 WARNING: aliasing errors must be expected set NGX to  26 to avoid them
 NGY is ok and might be reduce to  24
 NGZ is ok and might be reduce to  24
 aliasing errors are usually negligible using standard VASP settings
 and one can safely disregard these warnings

 total amount of memory used by VASP on root node   142468. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      46048. kBytes
   grid      :      10266. kBytes
   one-center:        196. kBytes
   wavefun   :      55958. kBytes

 Broyden mixing: mesh for mixing (old mesh)
   NGX = 11   NGY = 11   NGZ = 11
  (NGX  = 48   NGY  = 48   NGZ  = 48)
  gives a total of   1331 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      22.0000000 magnetization       0.0040000
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges        11489 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.434
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.00: real time    0.00


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


    POTLOK:  cpu time    0.36: real time    0.36
    SETDIJ:  cpu time    0.07: real time    0.07
     EDDAV:  cpu time   31.72: real time   31.74
       DOS:  cpu time    0.03: real time    0.04
    --------------------------------------------
      LOOP:  cpu time   32.19: real time   32.20

 eigenvalue-minimisations  : 10440
 total energy-change (2. order) : 0.1164588E+03  (-0.5943751E+03)
 number of electron      22.0000000 magnetization       0.0040000
 augmentation part       22.0000000 magnetization       0.0040000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -409.06768234
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.45226295
  PAW double counting   =      1356.25396662    -1245.44542245
  entropy T*S    EENTRO =        -0.00003963
  eigenvalues    EBANDS =        20.67684976
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =       116.45875643 eV

  energy without entropy =      116.45879606  energy(sigma->0) =      116.45876964


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




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


     EDDAV:  cpu time   32.66: real time   32.67
       DOS:  cpu time    0.03: real time    0.03
    --------------------------------------------
      LOOP:  cpu time   32.69: real time   32.71

 eigenvalue-minimisations  : 10984
 total energy-change (2. order) :-0.1147544E+03  (-0.1115967E+03)
 number of electron      22.0000000 magnetization       0.0040000
 augmentation part       22.0000000 magnetization       0.0040000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -409.06768234
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.45226295
  PAW double counting   =      1356.25396662    -1245.44542245
  entropy T*S    EENTRO =        -0.00068719
  eigenvalues    EBANDS =       -94.07687912
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =         1.70437998 eV

  energy without entropy =        1.70506718  energy(sigma->0) =        1.70460905


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




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


     EDDAV:  cpu time   42.93: real time   42.96
       DOS:  cpu time    0.03: real time    0.03
    --------------------------------------------
      LOOP:  cpu time   42.97: real time   43.00

 eigenvalue-minimisations  : 15412
 total energy-change (2. order) :-0.8862766E+01  (-0.8736349E+01)
 number of electron      22.0000000 magnetization       0.0040000
 augmentation part       22.0000000 magnetization       0.0040000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -409.06768234
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.45226295
  PAW double counting   =      1356.25396662    -1245.44542245
  entropy T*S    EENTRO =        -0.00928393
  eigenvalues    EBANDS =      -102.93104875
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.15838638 eV

  energy without entropy =       -7.14910245  energy(sigma->0) =       -7.15529174


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




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


     EDDAV:  cpu time   50.80: real time   50.82
       DOS:  cpu time    0.03: real time    0.03
    --------------------------------------------
      LOOP:  cpu time   50.83: real time   50.86

 eigenvalue-minimisations  : 18100
 total energy-change (2. order) :-0.3942445E+00  (-0.3937711E+00)
 number of electron      22.0000000 magnetization       0.0040000
 augmentation part       22.0000000 magnetization       0.0040000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -409.06768234
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.45226295
  PAW double counting   =      1356.25396662    -1245.44542245
  entropy T*S    EENTRO =        -0.00921743
  eigenvalues    EBANDS =      -103.32535977
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.55263090 eV

  energy without entropy =       -7.54341347  energy(sigma->0) =       -7.54955842


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




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


     EDDAV:  cpu time   43.48: real time   43.50
       DOS:  cpu time    0.03: real time    0.04
    CHARGE:  cpu time    4.03: real time    4.03
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   47.55: real time   47.58

 eigenvalue-minimisations  : 15548
 total energy-change (2. order) :-0.3390471E-02  (-0.3388430E-02)
 number of electron      21.9999995 magnetization       0.0013612
 augmentation part        2.9371843 magnetization      -0.0000147

 Broyden mixing:
  rms(total) = 0.46721E+00    rms(broyden)= 0.46690E+00
  rms(prec ) = 0.12264E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -409.06768234
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.45226295
  PAW double counting   =      1356.25396662    -1245.44542245
  entropy T*S    EENTRO =        -0.00921401
  eigenvalues    EBANDS =      -103.32875365
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.55602137 eV

  energy without entropy =       -7.54680735  energy(sigma->0) =       -7.55295003


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




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


    POTLOK:  cpu time    0.36: real time    0.36
    SETDIJ:  cpu time    0.08: real time    0.08
    EDDIAG:  cpu time    7.60: real time    7.62
  RMM-DIIS:  cpu time   32.77: real time   32.81
    ORTHCH:  cpu time    0.31: real time    0.31
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    4.00: real time    4.01
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   45.17: real time   45.24

 eigenvalue-minimisations  : 10715
 total energy-change (2. order) : 0.3716999E+00  (-0.2775076E+00)
 number of electron      21.9999995 magnetization       0.0020008
 augmentation part        3.2739341 magnetization       0.0003505

 Broyden mixing:
  rms(total) = 0.11695E+00    rms(broyden)= 0.11678E+00
  rms(prec ) = 0.27571E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9715
  0.9715

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -391.82652403
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.91667082
  PAW double counting   =      1339.95656005    -1231.03528669
  entropy T*S    EENTRO =        -0.00982885
  eigenvalues    EBANDS =      -117.84591852
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.18432144 eV

  energy without entropy =       -7.17449258  energy(sigma->0) =       -7.18104515


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




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


    POTLOK:  cpu time    0.36: real time    0.37
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.54: real time    7.56
  RMM-DIIS:  cpu time   35.35: real time   35.41
    ORTHCH:  cpu time    0.31: real time    0.31
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.98: real time    3.98
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   47.66: real time   47.75

 eigenvalue-minimisations  : 10851
 total energy-change (2. order) : 0.3945180E-01  (-0.9134684E-02)
 number of electron      21.9999995 magnetization       0.0033626
 augmentation part        3.2201558 magnetization       0.0010268

 Broyden mixing:
  rms(total) = 0.73943E-01    rms(broyden)= 0.73939E-01
  rms(prec ) = 0.15731E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6659
  0.8629  2.4689

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -393.00733230
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.84655935
  PAW double counting   =      1353.48720951    -1245.89177887
  entropy T*S    EENTRO =        -0.00981196
  eigenvalues    EBANDS =      -115.36994409
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.14486964 eV

  energy without entropy =       -7.13505768  energy(sigma->0) =       -7.14159899


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




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


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.51: real time    7.53
  RMM-DIIS:  cpu time   34.55: real time   34.57
    ORTHCH:  cpu time    0.31: real time    0.31
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.98: real time    3.99
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   46.82: real time   46.87

 eigenvalue-minimisations  : 11170
 total energy-change (2. order) : 0.5328128E-02  (-0.4482302E-02)
 number of electron      21.9999995 magnetization       0.0044043
 augmentation part        3.1875476 magnetization       0.0002226

 Broyden mixing:
  rms(total) = 0.23759E-01    rms(broyden)= 0.23748E-01
  rms(prec ) = 0.69140E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4575
  2.5116  0.9305  0.9305

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -391.34536687
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.83124796
  PAW double counting   =      1371.58281381    -1266.19660655
  entropy T*S    EENTRO =        -0.00982051
  eigenvalues    EBANDS =      -114.83266085
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13954151 eV

  energy without entropy =       -7.12972100  energy(sigma->0) =       -7.13626801


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




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


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.45: real time    7.46
  RMM-DIIS:  cpu time   32.12: real time   32.13
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.97: real time    3.97
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   44.31: real time   44.34

 eigenvalue-minimisations  : 11213
 total energy-change (2. order) : 0.2289958E-02  (-0.1159219E-02)
 number of electron      21.9999995 magnetization       0.0086790
 augmentation part        3.2027798 magnetization       0.0033258

 Broyden mixing:
  rms(total) = 0.56419E-02    rms(broyden)= 0.56131E-02
  rms(prec ) = 0.12871E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7463
  2.5560  2.5560  0.9366  0.9366

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -390.64726877
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.85754038
  PAW double counting   =      1369.75173449    -1264.20585835
  entropy T*S    EENTRO =        -0.00984443
  eigenvalues    EBANDS =      -115.66182154
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13725155 eV

  energy without entropy =       -7.12740713  energy(sigma->0) =       -7.13397008


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




----------------------------------------- Iteration    1(  10)  ---------------------------------------


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.43: real time    7.43
  RMM-DIIS:  cpu time   33.54: real time   33.56
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.97: real time    3.97
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   45.71: real time   45.74

 eigenvalue-minimisations  : 11685
 total energy-change (2. order) :-0.2226814E-03  (-0.2150722E-03)
 number of electron      21.9999995 magnetization       0.0094923
 augmentation part        3.2054271 magnetization      -0.0013740

 Broyden mixing:
  rms(total) = 0.59431E-02    rms(broyden)= 0.59384E-02
  rms(prec ) = 0.18121E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5941
  2.5874  2.5874  0.9454  0.9454  0.9050

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -390.92928515
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.86335927
  PAW double counting   =      1370.88853233    -1265.15627782
  entropy T*S    EENTRO =        -0.00982306
  eigenvalues    EBANDS =      -115.56060869
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13747424 eV

  energy without entropy =       -7.12765117  energy(sigma->0) =       -7.13419988


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




----------------------------------------- Iteration    1(  11)  ---------------------------------------


    POTLOK:  cpu time    0.36: real time    0.36
    SETDIJ:  cpu time    0.08: real time    0.08
    EDDIAG:  cpu time    7.49: real time    7.50
  RMM-DIIS:  cpu time   30.68: real time   30.70
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.99: real time    3.99
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   42.95: real time   43.00

 eigenvalue-minimisations  : 10472
 total energy-change (2. order) : 0.1432152E-03  (-0.7025062E-04)
 number of electron      21.9999995 magnetization       0.0146297
 augmentation part        3.2011856 magnetization       0.0029923

 Broyden mixing:
  rms(total) = 0.19467E-02    rms(broyden)= 0.19393E-02
  rms(prec ) = 0.49137E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4696
  2.5146  2.5146  1.0483  1.0322  1.0322  0.6753

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -390.81708188
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.85948278
  PAW double counting   =      1371.15786191    -1265.57434431
  entropy T*S    EENTRO =        -0.00982717
  eigenvalues    EBANDS =      -115.52780421
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13733102 eV

  energy without entropy =       -7.12750385  energy(sigma->0) =       -7.13405530


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




----------------------------------------- Iteration    1(  12)  ---------------------------------------


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.46: real time    7.47
  RMM-DIIS:  cpu time   22.52: real time   22.56
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    --------------------------------------------
      LOOP:  cpu time   30.75: real time   30.79

 eigenvalue-minimisations  :  7413
 total energy-change (2. order) :-0.5313515E-05  (-0.1813562E-04)
 number of electron      21.9999995 magnetization       0.0146297
 augmentation part        3.2011856 magnetization       0.0029923

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       117.79184427
  Ewald energy   TEWEN  =     -1525.97595329
  -1/2 Hartree   DENC   =      -390.83526684
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.85953181
  PAW double counting   =      1370.88489691    -1265.29593314
  entropy T*S    EENTRO =        -0.00981756
  eigenvalues    EBANDS =      -115.51503131
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13733633 eV

  energy without entropy =       -7.12751877  energy(sigma->0) =       -7.13406381


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




 average (electrostatic) potential at core
  the test charge radii are     1.1898  1.1249
  (the norm of the test charge is              1.0000)
       1 -73.3279       2 -40.7207



 E-fermi :   5.0949     XC(G=0):  -9.6883     alpha+bet :-10.1716


 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6700      1.00000
      2     -10.3773      1.00000
      3     -10.3773      1.00000
      4     -10.3773      1.00000
      5      -0.6032      1.00000
      6      -0.6032      1.00000
      7      -0.4124      1.00000
      8      -0.4124      1.00000
      9      -0.4124      1.00000
     10      -0.4088      1.00000
     11       6.8204      0.00000
     12       6.8204      0.00000
     13       6.8204      0.00000
     14       7.9309      0.00000
     15       7.9309      0.00000
     16       7.9312      0.00000
     17       7.9322      0.00000
     18       8.5649      0.00000

 k-point   2 :       0.0625    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6694      1.00000
      2     -10.3957      1.00000
      3     -10.3810      1.00000
      4     -10.3810      1.00000
      5      -0.5874      1.00000
      6      -0.5874      1.00000
      7      -0.4075      1.00000
      8      -0.4044      1.00000
      9      -0.4044      1.00000
     10      -0.3347      1.00000
     11       6.6006      0.00000
     12       6.8031      0.00000
     13       6.8031      0.00000
     14       7.6971      0.00000
     15       7.6972      0.00000
     16       7.8966      0.00000
     17       8.1281      0.00000
     18       8.8110      0.00000

 k-point   3 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6676      1.00000
      2     -10.4474      1.00000
      3     -10.3912      1.00000
      4     -10.3912      1.00000
      5      -0.5421      1.00000
      6      -0.5421      1.00000
      7      -0.3951      1.00000
      8      -0.3819      1.00000
      9      -0.3819      1.00000
     10      -0.1182      1.00000
     11       6.1466      0.00000
     12       6.6713      0.00000
     13       6.6713      0.00000
     14       7.4455      0.00000
     15       7.4455      0.00000
     16       7.8140      0.00000
     17       8.5124      0.00000
     18       9.1792      0.00000

 k-point   4 :       0.1875    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6650      1.00000
      2     -10.5228      1.00000
      3     -10.4064      1.00000
      4     -10.4064      1.00000
      5      -0.4727      1.00000
      6      -0.4727      1.00000
      7      -0.3747      1.00000
      8      -0.3469      1.00000
      9      -0.3469      1.00000
     10       0.2243      1.00000
     11       5.6238     -0.00059
     12       6.3404      0.00000
     13       6.3404      0.00000
     14       7.4488      0.00000
     15       7.4488      0.00000
     16       7.7279      0.00000
     17       8.9159      0.00000
     18       9.4919      0.00000

 k-point   5 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6620      1.00000
      2     -10.6090      1.00000
      3     -10.4243      1.00000
      4     -10.4243      1.00000
      5      -0.3892      1.00000
      6      -0.3892      1.00000
      7      -0.3481      1.00000
      8      -0.3076      1.00000
      9      -0.3076      1.00000
     10       0.6671      1.00000
     11       5.0861      0.53708
     12       5.9439      0.00000
     13       5.9439      0.00000
     14       7.6167      0.00000
     15       7.6167      0.00000
     16       7.6816      0.00000
     17       9.2642      0.00000
     18       9.7906      0.00000

 k-point   6 :       0.3125    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6590      1.00000
      2     -10.6925      1.00000
      3     -10.4419      1.00000
      4     -10.4419      1.00000
      5      -0.3160      1.00000
      6      -0.3015      1.00000
      7      -0.3015      1.00000
      8      -0.2672      1.00000
      9      -0.2672      1.00000
     10       1.1767      1.00000
     11       4.5602      1.00051
     12       5.5835     -0.00149
     13       5.5835     -0.00149
     14       7.7088      0.00000
     15       7.8706      0.00000
     16       7.8707      0.00000
     17       9.6270      0.00000
     18       9.8079      0.00000

 k-point   7 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6564      1.00000
      2     -10.7613      1.00000
      3     -10.4568      1.00000
      4     -10.4568      1.00000
      5      -0.2849      1.00000
      6      -0.2333      1.00000
      7      -0.2333      1.00000
      8      -0.2232      1.00000
      9      -0.2232      1.00000
     10       1.7106      1.00000
     11       4.0611      1.00000
     12       5.3011     -0.02804
     13       5.3011     -0.02805
     14       7.8308      0.00000
     15       8.1767      0.00000
     16       8.1768      0.00000
     17       9.5916      0.00000
     18       9.6833      0.00000

 k-point   8 :       0.4375    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6547      1.00000
      2     -10.8063      1.00000
      3     -10.4667      1.00000
      4     -10.4667      1.00000
      5      -0.2610      1.00000
      6      -0.2099      1.00000
      7      -0.2099      1.00000
      8      -0.1692      1.00000
      9      -0.1692      1.00000
     10       2.2053      1.00000
     11       3.6131      1.00000
     12       5.1213      0.38931
     13       5.1213      0.38929
     14       8.0381      0.00000
     15       8.4990      0.00000
     16       8.4992      0.00000
     17       9.3316      0.00000
     18       9.4153      0.00000

 k-point   9 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6541      1.00000
      2     -10.8219      1.00000
      3     -10.4702      1.00000
      4     -10.4702      1.00000
      5      -0.2533      1.00000
      6      -0.2019      1.00000
      7      -0.2019      1.00000
      8      -0.1500      1.00000
      9      -0.1500      1.00000
     10       2.4690      1.00000
     11       3.3702      1.00000
     12       5.0596      0.64700
     13       5.0596      0.64698
     14       8.1817      0.00000
     15       8.7015      0.00000
     16       8.7091      0.00000
     17       9.1436      0.00000
     18       9.2400      0.00000

 k-point  10 :       0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6692      1.00000
      2     -10.3992      1.00000
      3     -10.3833      1.00000
      4     -10.3833      1.00000
      5      -0.5984      1.00000
      6      -0.5742      1.00000
      7      -0.4206      1.00000
      8      -0.3950      1.00000
      9      -0.3950      1.00000
     10      -0.3024      1.00000
     11       6.6530      0.00000
     12       6.7461      0.00000
     13       6.7461      0.00000
     14       7.2711      0.00000
     15       8.0597      0.00000
     16       8.0600      0.00000
     17       8.1261      0.00000
     18       8.6093      0.00000

 k-point  11 :       0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6678      1.00000
      2     -10.4379      1.00000
      3     -10.3924      1.00000
      4     -10.3914      1.00000
      5      -0.5781      1.00000
      6      -0.5383      1.00000
      7      -0.4214      1.00000
      8      -0.3732      1.00000
      9      -0.3711      1.00000
     10      -0.1222      1.00000
     11       6.3009      0.00000
     12       6.6366      0.00000
     13       6.6529      0.00000
     14       6.9719      0.00000
     15       7.9408      0.00000
     16       8.0402      0.00000
     17       8.4512      0.00000
     18       9.0056      0.00000

 k-point  12 :       0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6655      1.00000
      2     -10.5036      1.00000
      3     -10.4067      1.00000
      4     -10.4048      1.00000
      5      -0.5299      1.00000
      6      -0.4732      1.00000
      7      -0.4096      1.00000
      8      -0.3431      1.00000
      9      -0.3368      1.00000
     10       0.1820      1.00000
     11       5.7830     -0.00001
     12       6.2555      0.00000
     13       6.4498      0.00000
     14       7.0679      0.00000
     15       7.8185      0.00000
     16       7.9537      0.00000
     17       8.8267      0.00000
     18       9.2283      0.00000

 k-point  13 :       0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6627      1.00000
      2     -10.5840      1.00000
      3     -10.4241      1.00000
      4     -10.4222      1.00000
      5      -0.4591      1.00000
      6      -0.3917      1.00000
      7      -0.3838      1.00000
      8      -0.3086      1.00000
      9      -0.2971      1.00000
     10       0.5894      1.00000
     11       5.2246      0.05936
     12       5.8850      0.00000
     13       6.1373      0.00000
     14       7.2544      0.00000
     15       7.8733      0.00000
     16       7.8839      0.00000
     17       9.1776      0.00000
     18       9.5144      0.00000

 k-point  14 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6596      1.00000
      2     -10.6661      1.00000
      3     -10.4417      1.00000
      4     -10.4409      1.00000
      5      -0.3750      1.00000
      6      -0.3527      1.00000
      7      -0.3028      1.00000
      8      -0.2722      1.00000
      9      -0.2579      1.00000
     10       1.0722      1.00000
     11       4.6788      1.00611
     12       5.5664     -0.00214
     13       5.7947      0.00000
     14       7.4722      0.00000
     15       7.9002      0.00000
     16       8.0585      0.00000
     17       9.5345      0.00000
     18       9.7926      0.00000

 k-point  15 :       0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6569      1.00000
      2     -10.7377      1.00000
      3     -10.4581      1.00000
      4     -10.4571      1.00000
      5      -0.3146      1.00000
      6      -0.2891      1.00000
      7      -0.2412      1.00000
      8      -0.2282      1.00000
      9      -0.2251      1.00000
     10       1.5947      1.00000
     11       4.1642      1.00000
     12       5.3192     -0.03356
     13       5.4878     -0.00895
     14       7.6777      0.00000
     15       8.0692      0.00000
     16       8.3186      0.00000
     17       9.5632      0.00000
     18       9.7070      0.00000

 k-point  16 :       0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6549      1.00000
      2     -10.7892      1.00000
      3     -10.4713      1.00000
      4     -10.4678      1.00000
      5      -0.2784      1.00000
      6      -0.2198      1.00000
      7      -0.2156      1.00000
      8      -0.2023      1.00000
      9      -0.1800      1.00000
     10       2.1107      1.00000
     11       3.6893      1.00000
     12       5.1609      0.23704
     13       5.2563      0.00820
     14       7.8897      0.00000
     15       8.3676      0.00000
     16       8.6004      0.00000
     17       9.3085      0.00000
     18       9.4508      0.00000

 k-point  17 :       0.5000    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6540      1.00000
      2     -10.8139      1.00000
      3     -10.4784      1.00000
      4     -10.4723      1.00000
      5      -0.2564      1.00000
      6      -0.2094      1.00000
      7      -0.1983      1.00000
      8      -0.1674      1.00000
      9      -0.1641      1.00000
     10       2.5143      1.00000
     11       3.3173      1.00000
     12       5.1016      0.47152
     13       5.1255      0.37221
     14       8.1141      0.00000
     15       8.6647      0.00000
     16       8.7134      0.00000
     17       9.0812      0.00000
     18       9.5924      0.00000

 k-point  18 :      -0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6542      1.00000
      2     -10.8089      1.00000
      3     -10.4784      1.00000
      4     -10.4700      1.00000
      5      -0.2572      1.00000
      6      -0.2076      1.00000
      7      -0.2069      1.00000
      8      -0.1933      1.00000
      9      -0.1500      1.00000
     10       2.4155      1.00000
     11       3.4122      1.00000
     12       5.1108      0.43288
     13       5.1424      0.30539
     14       8.1171      0.00000
     15       8.4289      0.00000
     16       8.8166      0.00000
     17       9.0033      0.00000
     18       9.4149      0.00000

 k-point  19 :      -0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6555      1.00000
      2     -10.7747      1.00000
      3     -10.4714      1.00000
      4     -10.4613      1.00000
      5      -0.2802      1.00000
      6      -0.2523      1.00000
      7      -0.2315      1.00000
      8      -0.2128      1.00000
      9      -0.1742      1.00000
     10       1.9502      1.00000
     11       3.8438      1.00000
     12       5.2172      0.07491
     13       5.2747     -0.01125
     14       7.9462      0.00000
     15       8.0740      0.00000
     16       8.5893      0.00000
     17       9.2856      0.00000
     18       9.7671      0.00000

 k-point  20 :      -0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6578      1.00000
      2     -10.7156      1.00000
      3     -10.4582      1.00000
      4     -10.4473      1.00000
      5      -0.3321      1.00000
      6      -0.3127      1.00000
      7      -0.2658      1.00000
      8      -0.2331      1.00000
      9      -0.2315      1.00000
     10       1.4216      1.00000
     11       4.3423      1.00000
     12       5.4392     -0.01761
     13       5.4832     -0.00961
     14       7.7382      0.00000
     15       7.8427      0.00000
     16       8.2835      0.00000
     17       9.5756      0.00000
     18       9.6428      0.00000

 k-point  21 :      -0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6607      1.00000
      2     -10.6394      1.00000
      3     -10.4409      1.00000
      4     -10.4301      1.00000
      5      -0.4168      1.00000
      6      -0.3475      1.00000
      7      -0.3112      1.00000
      8      -0.3053      1.00000
      9      -0.2650      1.00000
     10       0.9028      1.00000
     11       4.8756      1.03247
     12       5.7451     -0.00002
     13       5.7635     -0.00001
     14       7.4468      0.00000
     15       7.8394      0.00000
     16       8.0128      0.00000
     17       9.3793      0.00000
     18       9.7105      0.00000

 k-point  22 :      -0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6637      1.00000
      2     -10.5568      1.00000
      3     -10.4218      1.00000
      4     -10.4124      1.00000
      5      -0.4943      1.00000
      6      -0.3983      1.00000
      7      -0.3762      1.00000
      8      -0.3445      1.00000
      9      -0.3037      1.00000
     10       0.4366      1.00000
     11       5.4295     -0.01974
     12       6.0316      0.00000
     13       6.1711      0.00000
     14       7.2117      0.00000
     15       7.8085      0.00000
     16       7.9149      0.00000
     17       9.0692      0.00000
     18       9.5269      0.00000

 k-point  23 :      -0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6664      1.00000
      2     -10.4804      1.00000
      3     -10.4038      1.00000
      4     -10.3967      1.00000
      5      -0.5524      1.00000
      6      -0.4806      1.00000
      7      -0.3967      1.00000
      8      -0.3774      1.00000
      9      -0.3430      1.00000
     10       0.0574      1.00000
     11       5.9709      0.00000
     12       6.3108      0.00000
     13       6.6315      0.00000
     14       7.0458      0.00000
     15       7.7026      0.00000
     16       8.0110      0.00000
     17       8.7243      0.00000
     18       9.1023      0.00000

 k-point  24 :      -0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6684      1.00000
      2     -10.4234      1.00000
      3     -10.3894      1.00000
      4     -10.3857      1.00000
      5      -0.5836      1.00000
      6      -0.5464      1.00000
      7      -0.4069      1.00000
      8      -0.3981      1.00000
      9      -0.3787      1.00000
     10      -0.2078      1.00000
     11       6.4011      0.00000
     12       6.5796      0.00000
     13       6.8643      0.00000
     14       7.2016      0.00000
     15       7.7092      0.00000
     16       8.0184      0.00000
     17       8.3829      0.00000
     18       8.9838      0.00000

 k-point  25 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6669      1.00000
      2     -10.4578      1.00000
      3     -10.4001      1.00000
      4     -10.4001      1.00000
      5      -0.5849      1.00000
      6      -0.5296      1.00000
      7      -0.4431      1.00000
      8      -0.3475      1.00000
      9      -0.3475      1.00000
     10       0.0327      1.00000
     11       6.3022      0.00000
     12       6.3337      0.00000
     13       6.6176      0.00000
     14       6.6176      0.00000
     15       8.3487      0.00000
     16       8.3487      0.00000
     17       8.5193      0.00000
     18       8.6251      0.00000

 k-point  26 :       0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6650      1.00000
      2     -10.5065      1.00000
      3     -10.4132      1.00000
      4     -10.4129      1.00000
      5      -0.5613      1.00000
      6      -0.4888      1.00000
      7      -0.4503      1.00000
      8      -0.3161      1.00000
      9      -0.3144      1.00000
     10       0.3035      1.00000
     11       5.7622     -0.00001
     12       6.0661      0.00000
     13       6.5228      0.00000
     14       6.7230      0.00000
     15       8.2485      0.00000
     16       8.3659      0.00000
     17       8.8280      0.00000
     18       8.9586      0.00000

 k-point  27 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6625      1.00000
      2     -10.5730      1.00000
      3     -10.4301      1.00000
      4     -10.4296      1.00000
      5      -0.5115      1.00000
      6      -0.4415      1.00000
      7      -0.4187      1.00000
      8      -0.2828      1.00000
      9      -0.2769      1.00000
     10       0.6650      1.00000
     11       5.2084      0.09518
     12       5.7756     -0.00001
     13       6.3272      0.00000
     14       6.9233      0.00000
     15       8.1908      0.00000
     16       8.2982      0.00000
     17       9.1543      0.00000
     18       9.3094      0.00000

 k-point  28 :       0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6596      1.00000
      2     -10.6449      1.00000
      3     -10.4505      1.00000
      4     -10.4467      1.00000
      5      -0.4408      1.00000
      6      -0.4156      1.00000
      7      -0.3381      1.00000
      8      -0.2505      1.00000
      9      -0.2405      1.00000
     10       1.0965      1.00000
     11       4.6832      1.00658
     12       5.5276     -0.00455
     13       6.0525      0.00000
     14       7.1567      0.00000
     15       8.2576      0.00000
     16       8.2872      0.00000
     17       9.4355      0.00000
     18       9.5312      0.00000

 k-point  29 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6569      1.00000
      2     -10.7111      1.00000
      3     -10.4711      1.00000
      4     -10.4619      1.00000
      5      -0.3775      1.00000
      6      -0.3584      1.00000
      7      -0.2667      1.00000
      8      -0.2246      1.00000
      9      -0.2100      1.00000
     10       1.5723      1.00000
     11       4.1954      1.00000
     12       5.3429     -0.03542
     13       5.7601     -0.00001
     14       7.4005      0.00000
     15       8.3161      0.00000
     16       8.4889      0.00000
     17       9.4918      0.00000
     18       9.6439      0.00000

 k-point  30 :       0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6548      1.00000
      2     -10.7623      1.00000
      3     -10.4888      1.00000
      4     -10.4730      1.00000
      5      -0.3314      1.00000
      6      -0.2755      1.00000
      7      -0.2215      1.00000
      8      -0.2093      1.00000
      9      -0.1908      1.00000
     10       2.0639      1.00000
     11       3.7398      1.00000
     12       5.2306      0.04790
     13       5.5033     -0.00696
     14       7.6399      0.00000
     15       8.5101      0.00000
     16       8.7271      0.00000
     17       9.2623      0.00000
     18       9.3641      0.00000

 k-point  31 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6535      1.00000
      2     -10.7918      1.00000
      3     -10.5009      1.00000
      4     -10.4783      1.00000
      5      -0.2869      1.00000
      6      -0.2143      1.00000
      7      -0.2076      1.00000
      8      -0.2065      1.00000
      9      -0.1853      1.00000
     10       2.5435      1.00000
     11       3.3029      1.00000
     12       5.1831      0.16415
     13       5.3180     -0.03333
     14       7.9030      0.00000
     15       8.6907      0.00000
     16       8.7333      0.00000
     17       9.1315      0.00000
     18       9.2155      0.00000

 k-point  32 :      -0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6534      1.00000
      2     -10.7958      1.00000
      3     -10.5054      1.00000
      4     -10.4772      1.00000
      5      -0.2578      1.00000
      6      -0.2413      1.00000
      7      -0.2185      1.00000
      8      -0.1975      1.00000
      9      -0.1595      1.00000
     10       2.7599      1.00000
     11       3.1033      1.00000
     12       5.1847      0.15922
     13       5.2276      0.05356
     14       8.1906      0.00000
     15       8.3932      0.00000
     16       8.5486      0.00000
     17       9.2636      0.00000
     18       9.7964      0.00000

 k-point  33 :      -0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6543      1.00000
      2     -10.7741      1.00000
      3     -10.5017      1.00000
      4     -10.4697      1.00000
      5      -0.2986      1.00000
      6      -0.2700      1.00000
      7      -0.2211      1.00000
      8      -0.2146      1.00000
      9      -0.1503      1.00000
     10       2.3025      1.00000
     11       3.5469      1.00000
     12       5.2277      0.05330
     13       5.2459      0.02237
     14       8.0185      0.00000
     15       8.2143      0.00000
     16       8.7701      0.00000
     17       9.0878      0.00000
     18       9.6602      0.00000

 k-point  34 :      -0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6562      1.00000
      2     -10.7296      1.00000
      3     -10.4898      1.00000
      4     -10.4569      1.00000
      5      -0.3714      1.00000
      6      -0.3057      1.00000
      7      -0.2543      1.00000
      8      -0.2137      1.00000
      9      -0.1776      1.00000
     10       1.7823      1.00000
     11       4.0483      1.00000
     12       5.3144     -0.03251
     13       5.3767     -0.03145
     14       7.6721      0.00000
     15       8.1818      0.00000
     16       8.7433      0.00000
     17       9.2098      0.00000
     18       9.8206      0.00000

 k-point  35 :      -0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6587      1.00000
      2     -10.6685      1.00000
      3     -10.4714      1.00000
      4     -10.4407      1.00000
      5      -0.4449      1.00000
      6      -0.3419      1.00000
      7      -0.2922      1.00000
      8      -0.2366      1.00000
      9      -0.2294      1.00000
     10       1.2615      1.00000
     11       4.5872      1.00097
     12       5.4443     -0.01655
     13       5.6135     -0.00076
     14       7.3766      0.00000
     15       8.2233      0.00000
     16       8.4294      0.00000
     17       9.4435      0.00000
     18       9.5699      0.00000

 k-point  36 :      -0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6616      1.00000
      2     -10.5996      1.00000
      3     -10.4487      1.00000
      4     -10.4236      1.00000
      5      -0.5059      1.00000
      6      -0.3711      1.00000
      7      -0.3289      1.00000
      8      -0.3159      1.00000
      9      -0.2598      1.00000
     10       0.7784      1.00000
     11       5.1608      0.23715
     12       5.6080     -0.00086
     13       5.9405      0.00000
     14       7.1459      0.00000
     15       8.1285      0.00000
     16       8.3063      0.00000
     17       9.2245      0.00000
     18       9.3512      0.00000

 k-point  37 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6643      1.00000
      2     -10.5334      1.00000
      3     -10.4249      1.00000
      4     -10.4082      1.00000
      5      -0.5436      1.00000
      6      -0.4019      1.00000
      7      -0.3897      1.00000
      8      -0.3592      1.00000
      9      -0.2998      1.00000
     10       0.3671      1.00000
     11       5.7404     -0.00002
     12       5.8016      0.00000
     13       6.3251      0.00000
     14       6.9977      0.00000
     15       7.8948      0.00000
     16       8.2602      0.00000
     17       9.0391      0.00000
     18       9.1270      0.00000

 k-point  38 :       0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6636      1.00000
      2     -10.5354      1.00000
      3     -10.4249      1.00000
      4     -10.4249      1.00000
      5      -0.5644      1.00000
      6      -0.4832      1.00000
      7      -0.4784      1.00000
      8      -0.2835      1.00000
      9      -0.2835      1.00000
     10       0.5372      1.00000
     11       5.4019     -0.02607
     12       6.0158      0.00000
     13       6.5492      0.00000
     14       6.5492      0.00000
     15       8.6738      0.00000
     16       8.6749      0.00000
     17       8.7310      0.00000
     18       8.9348      0.00000

 k-point  39 :       0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6614      1.00000
      2     -10.5832      1.00000
      3     -10.4411      1.00000
      4     -10.4400      1.00000
      5      -0.5393      1.00000
      6      -0.4885      1.00000
      7      -0.4446      1.00000
      8      -0.2503      1.00000
      9      -0.2491      1.00000
     10       0.8442      1.00000
     11       4.9974      0.86315
     12       5.7886     -0.00001
     13       6.4918      0.00000
     14       6.6657      0.00000
     15       8.5308      0.00000
     16       8.7127      0.00000
     17       9.0665      0.00000
     18       9.1847      0.00000

 k-point  40 :       0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6589      1.00000
      2     -10.6386      1.00000
      3     -10.4624      1.00000
      4     -10.4560      1.00000
      5      -0.4894      1.00000
      6      -0.4785      1.00000
      7      -0.3838      1.00000
      8      -0.2208      1.00000
      9      -0.2164      1.00000
     10       1.2001      1.00000
     11       4.6097      1.00160
     12       5.5449     -0.00329
     13       6.3294      0.00000
     14       6.9006      0.00000
     15       8.5353      0.00000
     16       8.6667      0.00000
     17       9.3435      0.00000
     18       9.4773      0.00000

 k-point  41 :       0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6565      1.00000
      2     -10.6916      1.00000
      3     -10.4871      1.00000
      4     -10.4706      1.00000
      5      -0.4491      1.00000
      6      -0.4205      1.00000
      7      -0.3221      1.00000
      8      -0.1988      1.00000
      9      -0.1894      1.00000
     10       1.5845      1.00000
     11       4.2469      1.00000
     12       5.3708     -0.03249
     13       6.0942      0.00000
     14       7.1691      0.00000
     15       8.6587      0.00000
     16       8.6727      0.00000
     17       9.4129      0.00000
     18       9.6495      0.00000

 k-point  42 :       0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6543      1.00000
      2     -10.7342      1.00000
      3     -10.5114      1.00000
      4     -10.4816      1.00000
      5      -0.4044      1.00000
      6      -0.3410      1.00000
      7      -0.2800      1.00000
      8      -0.1880      1.00000
      9      -0.1733      1.00000
     10       1.9806      1.00000
     11       3.9031      1.00000
     12       5.2795     -0.01519
     13       5.8429      0.00000
     14       7.4221      0.00000
     15       8.7566      0.00000
     16       8.8712      0.00000
     17       9.2038      0.00000
     18       9.4395      0.00000

 k-point  43 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6529      1.00000
      2     -10.7609      1.00000
      3     -10.5313      1.00000
      4     -10.4873      1.00000
      5      -0.3510      1.00000
      6      -0.2700      1.00000
      7      -0.2628      1.00000
      8      -0.1928      1.00000
      9      -0.1700      1.00000
     10       2.3768      1.00000
     11       3.5627      1.00000
     12       5.2417      0.02888
     13       5.6220     -0.00062
     14       7.6413      0.00000
     15       8.7697      0.00000
     16       8.8478      0.00000
     17       9.2044      0.00000
     18       9.4049      0.00000

 k-point  44 :      -0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6525      1.00000
      2     -10.7690      1.00000
      3     -10.5430      1.00000
      4     -10.4870      1.00000
      5      -0.3039      1.00000
      6      -0.2877      1.00000
      7      -0.2121      1.00000
      8      -0.1985      1.00000
      9      -0.1797      1.00000
     10       2.7468      1.00000
     11       3.2251      1.00000
     12       5.2091      0.09337
     13       5.4633     -0.01288
     14       7.8889      0.00000
     15       8.3949      0.00000
     16       8.6736      0.00000
     17       9.5017      0.00000
     18       9.5615      0.00000

 k-point  45 :      -0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6530      1.00000
      2     -10.7583      1.00000
      3     -10.5440      1.00000
      4     -10.4807      1.00000
      5      -0.3437      1.00000
      6      -0.2598      1.00000
      7      -0.2355      1.00000
      8      -0.2033      1.00000
      9      -0.1563      1.00000
     10       2.6719      1.00000
     11       3.2948      1.00000
     12       5.1716      0.20030
     13       5.3868     -0.02943
     14       8.0170      0.00000
     15       8.2417      0.00000
     16       8.5876      0.00000
     17       9.5452      0.00000
     18       9.6982      0.00000

 k-point  46 :      -0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6544      1.00000
      2     -10.7311      1.00000
      3     -10.5330      1.00000
      4     -10.4693      1.00000
      5      -0.4012      1.00000
      6      -0.2872      1.00000
      7      -0.2342      1.00000
      8      -0.2194      1.00000
      9      -0.1507      1.00000
     10       2.2097      1.00000
     11       3.7276      1.00000
     12       5.1639      0.22647
     13       5.4033     -0.02575
     14       7.6803      0.00000
     15       8.5954      0.00000
     16       8.6946      0.00000
     17       9.2455      0.00000
     18       9.6755      0.00000

 k-point  47 :      -0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6566      1.00000
      2     -10.6919      1.00000
      3     -10.5109      1.00000
      4     -10.4544      1.00000
      5      -0.4550      1.00000
      6      -0.3239      1.00000
      7      -0.2696      1.00000
      8      -0.2134      1.00000
      9      -0.1796      1.00000
     10       1.7028      1.00000
     11       4.2163      1.00000
     12       5.2162      0.07723
     13       5.5130     -0.00590
     14       7.4098      0.00000
     15       8.6468      0.00000
     16       8.8443      0.00000
     17       9.1509      0.00000
     18       9.4671      0.00000

 k-point  48 :      -0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6591      1.00000
      2     -10.6463      1.00000
      3     -10.4808      1.00000
      4     -10.4384      1.00000
      5      -0.4922      1.00000
      6      -0.3529      1.00000
      7      -0.3019      1.00000
      8      -0.2380      1.00000
      9      -0.2274      1.00000
     10       1.2120      1.00000
     11       4.7241      1.01245
     12       5.3452     -0.03535
     13       5.7027     -0.00008
     14       7.2244      0.00000
     15       8.4747      0.00000
     16       8.6015      0.00000
     17       9.2614      0.00000
     18       9.5358      0.00000

 k-point  49 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6597      1.00000
      2     -10.6129      1.00000
      3     -10.4535      1.00000
      4     -10.4535      1.00000
      5      -0.5394      1.00000
      6      -0.5195      1.00000
      7      -0.4427      1.00000
      8      -0.2178      1.00000
      9      -0.2178      1.00000
     10       1.0765      1.00000
     11       4.7509      1.01767
     12       5.7445     -0.00002
     13       6.5930      0.00000
     14       6.5930      0.00000
     15       8.7716      0.00000
     16       8.9695      0.00000
     17       8.9764      0.00000
     18       9.4399      0.00000

 k-point  50 :       0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6577      1.00000
      2     -10.6516      1.00000
      3     -10.4714      1.00000
      4     -10.4682      1.00000
      5      -0.5300      1.00000
      6      -0.5156      1.00000
      7      -0.4145      1.00000
      8      -0.1908      1.00000
      9      -0.1896      1.00000
     10       1.3278      1.00000
     11       4.5458      1.00036
     12       5.5736     -0.00184
     13       6.5849      0.00000
     14       6.7447      0.00000
     15       8.7617      0.00000
     16       9.0148      0.00000
     17       9.2146      0.00000
     18       9.5242      0.00000

 k-point  51 :       0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6555      1.00000
      2     -10.6887      1.00000
      3     -10.4966      1.00000
      4     -10.4818      1.00000
      5      -0.5160      1.00000
      6      -0.4670      1.00000
      7      -0.3740      1.00000
      8      -0.1709      1.00000
      9      -0.1664      1.00000
     10       1.5819      1.00000
     11       4.3819      1.00000
     12       5.3983     -0.02689
     13       6.4560      0.00000
     14       7.0052      0.00000
     15       8.8433      0.00000
     16       8.9916      0.00000
     17       9.3379      0.00000
     18       9.6536      0.00000

 k-point  52 :       0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6536      1.00000
      2     -10.7170      1.00000
      3     -10.5269      1.00000
      4     -10.4922      1.00000
      5      -0.4805      1.00000
      6      -0.4014      1.00000
      7      -0.3405      1.00000
      8      -0.1624      1.00000
      9      -0.1523      1.00000
     10       1.8391      1.00000
     11       4.2201      1.00000
     12       5.2986     -0.02692
     13       6.2473      0.00000
     14       7.2590      0.00000
     15       9.0197      0.00000
     16       9.0231      0.00000
     17       9.1614      0.00000
     18       9.4056      0.00000

 k-point  53 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6522      1.00000
      2     -10.7326      1.00000
      3     -10.5577      1.00000
      4     -10.4979      1.00000
      5      -0.4281      1.00000
      6      -0.3296      1.00000
      7      -0.3267      1.00000
      8      -0.1690      1.00000
      9      -0.1506      1.00000
     10       2.1087      1.00000
     11       4.0234      1.00000
     12       5.2643     -0.00107
     13       6.0144      0.00000
     14       7.4085      0.00000
     15       8.8153      0.00000
     16       9.0644      0.00000
     17       9.2550      0.00000
     18       9.3057      0.00000

 k-point  54 :      -0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6516      1.00000
      2     -10.7351      1.00000
      3     -10.5822      1.00000
      4     -10.4981      1.00000
      5      -0.3706      1.00000
      6      -0.3389      1.00000
      7      -0.2526      1.00000
      8      -0.1890      1.00000
      9      -0.1605      1.00000
     10       2.3908      1.00000
     11       3.7799      1.00000
     12       5.2173      0.07471
     13       5.7987      0.00000
     14       7.5123      0.00000
     15       8.4370      0.00000
     16       8.9728      0.00000
     17       9.5243      0.00000
     18       9.6047      0.00000

 k-point  55 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6518      1.00000
      2     -10.7288      1.00000
      3     -10.5923      1.00000
      4     -10.4927      1.00000
      5      -0.3795      1.00000
      6      -0.3011      1.00000
      7      -0.2202      1.00000
      8      -0.1925      1.00000
      9      -0.1802      1.00000
     10       2.6289      1.00000
     11       3.5273      1.00000
     12       5.1312      0.34934
     13       5.6269     -0.00055
     14       7.7490      0.00000
     15       8.0755      0.00000
     16       8.9635      0.00000
     17       9.6626      0.00000
     18       9.8150      0.00000

 k-point  56 :      -0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6528      1.00000
      2     -10.7194      1.00000
      3     -10.5813      1.00000
      4     -10.4825      1.00000
      5      -0.4145      1.00000
      6      -0.2602      1.00000
      7      -0.2494      1.00000
      8      -0.2093      1.00000
      9      -0.1554      1.00000
     10       2.5729      1.00000
     11       3.5145      1.00000
     12       5.0726      0.59392
     13       5.5166     -0.00554
     14       7.7698      0.00000
     15       8.1548      0.00000
     16       9.0032      0.00000
     17       9.5742      0.00000
     18       9.7836      0.00000

 k-point  57 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6545      1.00000
      2     -10.7083      1.00000
      3     -10.5510      1.00000
      4     -10.4691      1.00000
      5      -0.4436      1.00000
      6      -0.2952      1.00000
      7      -0.2405      1.00000
      8      -0.2212      1.00000
      9      -0.1512      1.00000
     10       2.1762      1.00000
     11       3.8213      1.00000
     12       5.0955      0.49772
     13       5.4781     -0.01039
     14       7.5432      0.00000
     15       8.6495      0.00000
     16       8.9655      0.00000
     17       9.2444      0.00000
     18       9.7343      0.00000

 k-point  58 :       0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6561      1.00000
      2     -10.6766      1.00000
      3     -10.4815      1.00000
      4     -10.4815      1.00000
      5      -0.5616      1.00000
      6      -0.5163      1.00000
      7      -0.4207      1.00000
      8      -0.1647      1.00000
      9      -0.1647      1.00000
     10       1.4470      1.00000
     11       4.5436      1.00034
     12       5.5309     -0.00429
     13       6.7593      0.00000
     14       6.7593      0.00000
     15       8.8751      0.00000
     16       9.2042      0.00000
     17       9.2131      0.00000
     18       9.5743      0.00000

 k-point  59 :       0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6543      1.00000
      2     -10.7021      1.00000
      3     -10.4993      1.00000
      4     -10.4938      1.00000
      5      -0.5680      1.00000
      6      -0.4933      1.00000
      7      -0.4091      1.00000
      8      -0.1457      1.00000
      9      -0.1447      1.00000
     10       1.5568      1.00000
     11       4.5933      1.00112
     12       5.4114     -0.02388
     13       6.7919      0.00000
     14       6.9423      0.00000
     15       8.9433      0.00000
     16       9.2427      0.00000
     17       9.3008      0.00000
     18       9.5852      0.00000

 k-point  60 :       0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6527      1.00000
      2     -10.7191      1.00000
      3     -10.5275      1.00000
      4     -10.5032      1.00000
      5      -0.5480      1.00000
      6      -0.4483      1.00000
      7      -0.3919      1.00000
      8      -0.1378      1.00000
      9      -0.1328      1.00000
     10       1.6815      1.00000
     11       4.6265      1.00228
     12       5.3041     -0.02925
     13       6.6760      0.00000
     14       7.1651      0.00000
     15       9.0779      0.00000
     16       9.2488      0.00000
     17       9.2966      0.00000
     18       9.4841      0.00000

 k-point  61 :       0.5000    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6515      1.00000
      2     -10.7226      1.00000
      3     -10.5642      1.00000
      4     -10.5084      1.00000
      5      -0.5046      1.00000
      6      -0.3868      1.00000
      7      -0.3827      1.00000
      8      -0.1427      1.00000
      9      -0.1309      1.00000
     10       1.8479      1.00000
     11       4.5562      1.00047
     12       5.2711     -0.00797
     13       6.4616      0.00000
     14       7.2470      0.00000
     15       8.8705      0.00000
     16       9.2893      0.00000
     17       9.3293      0.00000
     18       9.4144      0.00000

 k-point  62 :      -0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6509      1.00000
      2     -10.7112      1.00000
      3     -10.6045      1.00000
      4     -10.5086      1.00000
      5      -0.4449      1.00000
      6      -0.3841      1.00000
      7      -0.3167      1.00000
      8      -0.1605      1.00000
      9      -0.1397      1.00000
     10       2.0682      1.00000
     11       4.3687      1.00000
     12       5.2336      0.04236
     13       6.2036      0.00000
     14       7.2198      0.00000
     15       8.5231      0.00000
     16       9.2596      0.00000
     17       9.5333      0.00000
     18       9.7452      0.00000

 k-point  63 :      -0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6509      1.00000
      2     -10.6915      1.00000
      3     -10.6371      1.00000
      4     -10.5038      1.00000
      5      -0.4059      1.00000
      6      -0.3660      1.00000
      7      -0.2472      1.00000
      8      -0.1896      1.00000
      9      -0.1583      1.00000
     10       2.3301      1.00000
     11       4.0643      1.00000
     12       5.1325      0.34405
     13       5.9410      0.00000
     14       7.3422      0.00000
     15       8.2007      0.00000
     16       9.2832      0.00000
     17       9.5709      0.00000
     18       9.7918      0.00000

 k-point  64 :      -0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6515      1.00000
      2     -10.6982      1.00000
      3     -10.6252      1.00000
      4     -10.4946      1.00000
      5      -0.4132      1.00000
      6      -0.3038      1.00000
      7      -0.2237      1.00000
      8      -0.1893      1.00000
      9      -0.1823      1.00000
     10       2.5742      1.00000
     11       3.6854      1.00000
     12       5.0600      0.64535
     13       5.7032     -0.00007
     14       7.6795      0.00000
     15       7.9443      0.00000
     16       9.2797      0.00000
     17       9.4738      0.00000
     18       9.8136      0.00000

 k-point  65 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6530      1.00000
      2     -10.7205      1.00000
      3     -10.5048      1.00000
      4     -10.5048      1.00000
      5      -0.5970      1.00000
      6      -0.4968      1.00000
      7      -0.4246      1.00000
      8      -0.1268      1.00000
      9      -0.1268      1.00000
     10       1.5360      1.00000
     11       4.8259      1.03358
     12       5.3793     -0.03094
     13       7.0200      0.00000
     14       7.0200      0.00000
     15       8.9859      0.00000
     16       9.3692      0.00000
     17       9.4035      0.00000
     18       9.6586      0.00000

 k-point  66 :       0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6518      1.00000
      2     -10.7329      1.00000
      3     -10.5207      1.00000
      4     -10.5130      1.00000
      5      -0.5972      1.00000
      6      -0.4761      1.00000
      7      -0.4274      1.00000
      8      -0.1175      1.00000
      9      -0.1162      1.00000
     10       1.5550      1.00000
     11       5.0145      0.81177
     12       5.3046     -0.02946
     13       7.0603      0.00000
     14       7.1785      0.00000
     15       9.0547      0.00000
     16       9.3882      0.00000
     17       9.4131      0.00000
     18       9.5330      0.00000

 k-point  67 :       0.5000    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6509      1.00000
      2     -10.7329      1.00000
      3     -10.5497      1.00000
      4     -10.5173      1.00000
      5      -0.5690      1.00000
      6      -0.4354      1.00000
      7      -0.4233      1.00000
      8      -0.1203      1.00000
      9      -0.1143      1.00000
     10       1.6401      1.00000
     11       5.0363      0.73651
     12       5.2917     -0.02339
     13       6.9110      0.00000
     14       7.2075      0.00000
     15       8.9411      0.00000
     16       9.4142      0.00000
     17       9.4803      0.00000
     18       9.6503      0.00000

 k-point  68 :      -0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6504      1.00000
      2     -10.7181      1.00000
      3     -10.5893      1.00000
      4     -10.5171      1.00000
      5      -0.5177      1.00000
      6      -0.4175      1.00000
      7      -0.3791      1.00000
      8      -0.1347      1.00000
      9      -0.1215      1.00000
     10       1.8028      1.00000
     11       4.8765      1.03222
     12       5.2929     -0.02404
     13       6.6335      0.00000
     14       7.0786      0.00000
     15       8.6579      0.00000
     16       9.4748      0.00000
     17       9.6102      0.00000
     18       9.6184      0.00000

 k-point  69 :      -0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6504      1.00000
      2     -10.6911      1.00000
      3     -10.6327      1.00000
      4     -10.5124      1.00000
      5      -0.4521      1.00000
      6      -0.4072      1.00000
      7      -0.3136      1.00000
      8      -0.1595      1.00000
      9      -0.1371      1.00000
     10       2.0390      1.00000
     11       4.5620      1.00054
     12       5.1991      0.11855
     13       6.2919      0.00000
     14       7.0916      0.00000
     15       8.3967      0.00000
     16       9.5030      0.00000
     17       9.5685      0.00000
     18       9.8607      0.00000

 k-point  70 :       0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.6511      1.00000
      2     -10.7449      1.00000
      3     -10.5200      1.00000
      4     -10.5200      1.00000
      5      -0.6204      1.00000
      6      -0.4831      1.00000
      7      -0.4460      1.00000
      8      -0.1057      1.00000
      9      -0.1057      1.00000
     10       1.4910      1.00000
     11       5.2888     -0.02169
     12       5.2892     -0.02192
     13       7.2911      0.00000
     14       7.2911      0.00000
     15       9.0813      0.00000
     16       9.4644      0.00000
     17       9.4785      0.00000
     18       9.5927      0.00000

 k-point  71 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.6505      1.00000
      2     -10.7469      1.00000
      3     -10.5324      1.00000
      4     -10.5233      1.00000
      5      -0.6129      1.00000
      6      -0.4668      1.00000
      7      -0.4490      1.00000
      8      -0.1044      1.00000
      9      -0.1032      1.00000
     10       1.5078      1.00000
     11       5.2405      0.03079
     12       5.4235     -0.02109
     13       7.2724      0.00000
     14       7.3175      0.00000
     15       9.0412      0.00000
     16       9.4985      0.00000
     17       9.5812      0.00000
     18       9.6378      0.00000

 k-point  72 :      -0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.6503      1.00000
      2     -10.7364      1.00000
      3     -10.5579      1.00000
      4     -10.5222      1.00000
      5      -0.5765      1.00000
      6      -0.4389      1.00000
      7      -0.4309      1.00000
      8      -0.1149      1.00000
      9      -0.1091      1.00000
     10       1.6125      1.00000
     11       5.1400      0.31457
     12       5.4081     -0.02464
     13       7.0213      0.00000
     14       7.1554      0.00000
     15       8.8447      0.00000
     16       9.5675      0.00000
     17       9.5754      0.00000
     18       9.6526      0.00000

 k-point  73 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation
      1     -30.6504      1.00000
      2     -10.7526      1.00000
      3     -10.5253      1.00000
      4     -10.5253      1.00000
      5      -0.6284      1.00000
      6      -0.4782      1.00000
      7      -0.4581      1.00000
      8      -0.0987      1.00000
      9      -0.0987      1.00000
     10       1.4624      1.00000
     11       5.2597      0.00409
     12       5.5133     -0.00587
     13       7.4173      0.00000
     14       7.4173      0.00000
     15       9.1224      0.00000
     16       9.4868      0.00000
     17       9.5939      0.00000
     18       9.6368      0.00000

 k-point  74 :       0.1875    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6662      1.00000
      2     -10.4804      1.00000
      3     -10.4066      1.00000
      4     -10.4001      1.00000
      5      -0.5664      1.00000
      6      -0.4907      1.00000
      7      -0.4258      1.00000
      8      -0.3537      1.00000
      9      -0.3342      1.00000
     10       0.1073      1.00000
     11       6.0987      0.00000
     12       6.1146      0.00000
     13       6.6414      0.00000
     14       6.8250      0.00000
     15       7.9363      0.00000
     16       8.2318      0.00000
     17       8.7335      0.00000
     18       8.9545      0.00000

 k-point  75 :       0.2500    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6638      1.00000
      2     -10.5443      1.00000
      3     -10.4256      1.00000
      4     -10.4138      1.00000
      5      -0.5310      1.00000
      6      -0.4171      1.00000
      7      -0.4139      1.00000
      8      -0.3252      1.00000
      9      -0.2942      1.00000
     10       0.4485      1.00000
     11       5.5267     -0.00463
     12       5.8635      0.00000
     13       6.3305      0.00000
     14       6.9754      0.00000
     15       7.9853      0.00000
     16       8.2422      0.00000
     17       9.0338      0.00000
     18       9.1959      0.00000

 k-point  76 :       0.3125    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6609      1.00000
      2     -10.6183      1.00000
      3     -10.4463      1.00000
      4     -10.4307      1.00000
      5      -0.4713      1.00000
      6      -0.3924      1.00000
      7      -0.3294      1.00000
      8      -0.2919      1.00000
      9      -0.2564      1.00000
     10       0.8777      1.00000
     11       4.9556      0.95874
     12       5.6221     -0.00062
     13       5.9905      0.00000
     14       7.1878      0.00000
     15       8.1322      0.00000
     16       8.1825      0.00000
     17       9.3128      0.00000
     18       9.5022      0.00000

 k-point  77 :       0.3750    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6581      1.00000
      2     -10.6905      1.00000
      3     -10.4659      1.00000
      4     -10.4481      1.00000
      5      -0.3949      1.00000
      6      -0.3572      1.00000
      7      -0.2569      1.00000
      8      -0.2503      1.00000
      9      -0.2260      1.00000
     10       1.3669      1.00000
     11       4.4167      1.00001
     12       5.4111     -0.02395
     13       5.6828     -0.00013
     14       7.4387      0.00000
     15       8.1306      0.00000
     16       8.3976      0.00000
     17       9.5218      0.00000
     18       9.6892      0.00000

 k-point  78 :       0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6557      1.00000
      2     -10.7504      1.00000
      3     -10.4820      1.00000
      4     -10.4631      1.00000
      5      -0.3199      1.00000
      6      -0.3106      1.00000
      7      -0.2279      1.00000
      8      -0.2082      1.00000
      9      -0.1922      1.00000
     10       1.8824      1.00000
     11       3.9143      1.00000
     12       5.2570      0.00732
     13       5.4367     -0.01817
     14       7.6999      0.00000
     15       8.2185      0.00000
     16       8.6874      0.00000
     17       9.2442      0.00000
     18       9.6956      0.00000

 k-point  79 :       0.5000    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6541      1.00000
      2     -10.7897      1.00000
      3     -10.4925      1.00000
      4     -10.4732      1.00000
      5      -0.2777      1.00000
      6      -0.2441      1.00000
      7      -0.2159      1.00000
      8      -0.1976      1.00000
      9      -0.1661      1.00000
     10       2.3844      1.00000
     11       3.4465      1.00000
     12       5.1758      0.18672
     13       5.2692     -0.00618
     14       7.9548      0.00000
     15       8.4208      0.00000
     16       8.8402      0.00000
     17       9.0037      0.00000
     18       9.4968      0.00000

 k-point  80 :      -0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6535      1.00000
      2     -10.8033      1.00000
      3     -10.4961      1.00000
      4     -10.4768      1.00000
      5      -0.2572      1.00000
      6      -0.2209      1.00000
      7      -0.2096      1.00000
      8      -0.1922      1.00000
      9      -0.1649      1.00000
     10       2.7262      1.00000
     11       3.1214      1.00000
     12       5.1629      0.23006
     13       5.1985      0.12010
     14       8.1500      0.00000
     15       8.4213      0.00000
     16       8.8346      0.00000
     17       8.9852      0.00000
     18       9.7378      0.00000

 k-point  81 :       0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6630      1.00000
      2     -10.5535      1.00000
      3     -10.4319      1.00000
      4     -10.4242      1.00000
      5      -0.5446      1.00000
      6      -0.4589      1.00000
      7      -0.4432      1.00000
      8      -0.2884      1.00000
      9      -0.2755      1.00000
     10       0.6013      1.00000
     11       5.3237     -0.03434
     12       5.8325      0.00000
     13       6.4507      0.00000
     14       6.7468      0.00000
     15       8.2759      0.00000
     16       8.5695      0.00000
     17       9.0176      0.00000
     18       9.0835      0.00000

 k-point  82 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6605      1.00000
      2     -10.6119      1.00000
      3     -10.4541      1.00000
      4     -10.4395      1.00000
      5      -0.5070      1.00000
      6      -0.4500      1.00000
      7      -0.3713      1.00000
      8      -0.2579      1.00000
      9      -0.2391      1.00000
     10       0.9738      1.00000
     11       4.8622      1.03484
     12       5.5866     -0.00139
     13       6.2408      0.00000
     14       6.9298      0.00000
     15       8.3585      0.00000
     16       8.5775      0.00000
     17       9.2409      0.00000
     18       9.4590      0.00000

 k-point  83 :       0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6578      1.00000
      2     -10.6717      1.00000
      3     -10.4771      1.00000
      4     -10.4563      1.00000
      5      -0.4483      1.00000
      6      -0.4228      1.00000
      7      -0.2970      1.00000
      8      -0.2277      1.00000
      9      -0.2105      1.00000
     10       1.3978      1.00000
     11       4.4130      1.00001
     12       5.3954     -0.02754
     13       5.9785      0.00000
     14       7.1754      0.00000
     15       8.5173      0.00000
     16       8.5571      0.00000
     17       9.4548      0.00000
     18       9.6282      0.00000

 k-point  84 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6554      1.00000
      2     -10.7240      1.00000
      3     -10.4984      1.00000
      4     -10.4713      1.00000
      5      -0.3857      1.00000
      6      -0.3730      1.00000
      7      -0.2404      1.00000
      8      -0.2060      1.00000
      9      -0.1923      1.00000
     10       1.8487      1.00000
     11       3.9876      1.00000
     12       5.2775     -0.01357
     13       5.7259     -0.00004
     14       7.4413      0.00000
     15       8.5349      0.00000
     16       8.8099      0.00000
     17       9.2096      0.00000
     18       9.6575      0.00000

 k-point  85 :       0.5000    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6537      1.00000
      2     -10.7613      1.00000
      3     -10.5153      1.00000
      4     -10.4816      1.00000
      5      -0.3354      1.00000
      6      -0.3042      1.00000
      7      -0.2131      1.00000
      8      -0.2028      1.00000
      9      -0.1790      1.00000
     10       2.3029      1.00000
     11       3.5801      1.00000
     12       5.2265      0.05563
     13       5.5220     -0.00504
     14       7.6972      0.00000
     15       8.6289      0.00000
     16       8.8578      0.00000
     17       9.0720      0.00000
     18       9.4473      0.00000

 k-point  86 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6528      1.00000
      2     -10.7790      1.00000
      3     -10.5254      1.00000
      4     -10.4855      1.00000
      5      -0.2879      1.00000
      6      -0.2674      1.00000
      7      -0.2233      1.00000
      8      -0.1954      1.00000
      9      -0.1748      1.00000
     10       2.7420      1.00000
     11       3.1758      1.00000
     12       5.2110      0.08903
     13       5.3919     -0.02832
     14       7.9605      0.00000
     15       8.3853      0.00000
     16       8.8808      0.00000
     17       9.0553      0.00000
     18       9.6061      0.00000

 k-point  87 :      -0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6530      1.00000
      2     -10.7748      1.00000
      3     -10.5268      1.00000
      4     -10.4826      1.00000
      5      -0.2973      1.00000
      6      -0.2682      1.00000
      7      -0.2352      1.00000
      8      -0.1862      1.00000
      9      -0.1693      1.00000
     10       2.7153      1.00000
     11       3.2044      1.00000
     12       5.2009      0.11395
     13       5.3532     -0.03483
     14       8.0637      0.00000
     15       8.2994      0.00000
     16       8.6371      0.00000
     17       9.3237      0.00000
     18       9.6236      0.00000

 k-point  88 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6542      1.00000
      2     -10.7498      1.00000
      3     -10.5189      1.00000
      4     -10.4735      1.00000
      5      -0.3561      1.00000
      6      -0.3058      1.00000
      7      -0.2181      1.00000
      8      -0.2044      1.00000
      9      -0.1664      1.00000
     10       2.2464      1.00000
     11       3.6468      1.00000
     12       5.2056      0.10205
     13       5.4131     -0.02348
     14       7.7589      0.00000
     15       8.4817      0.00000
     16       8.7396      0.00000
     17       9.1582      0.00000
     18       9.7171      0.00000

 k-point  89 :      -0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6562      1.00000
      2     -10.7074      1.00000
      3     -10.5023      1.00000
      4     -10.4596      1.00000
      5      -0.4221      1.00000
      6      -0.3484      1.00000
      7      -0.2377      1.00000
      8      -0.2100      1.00000
      9      -0.1956      1.00000
     10       1.7501      1.00000
     11       4.1169      1.00000
     12       5.2587      0.00525
     13       5.5644     -0.00223
     14       7.4624      0.00000
     15       8.4863      0.00000
     16       8.8221      0.00000
     17       9.1840      0.00000
     18       9.6419      0.00000

 k-point  90 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6588      1.00000
      2     -10.6538      1.00000
      3     -10.4788      1.00000
      4     -10.4432      1.00000
      5      -0.4800      1.00000
      6      -0.3842      1.00000
      7      -0.2702      1.00000
      8      -0.2569      1.00000
      9      -0.2233      1.00000
     10       1.2624      1.00000
     11       4.6134      1.00173
     12       5.3758     -0.03162
     13       5.7939      0.00000
     14       7.2109      0.00000
     15       8.4796      0.00000
     16       8.5589      0.00000
     17       9.3275      0.00000
     18       9.5392      0.00000

 k-point  91 :      -0.1250    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6614      1.00000
      2     -10.5967      1.00000
      3     -10.4517      1.00000
      4     -10.4271      1.00000
      5      -0.5187      1.00000
      6      -0.4078      1.00000
      7      -0.3349      1.00000
      8      -0.3010      1.00000
      9      -0.2537      1.00000
     10       0.8183      1.00000
     11       5.1141      0.41918
     12       5.5613     -0.00237
     13       6.0744      0.00000
     14       7.0335      0.00000
     15       8.2094      0.00000
     16       8.5017      0.00000
     17       9.1624      0.00000
     18       9.3104      0.00000

 k-point  92 :       0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6593      1.00000
      2     -10.6248      1.00000
      3     -10.4612      1.00000
      4     -10.4531      1.00000
      5      -0.5198      1.00000
      6      -0.4985      1.00000
      7      -0.4072      1.00000
      8      -0.2215      1.00000
      9      -0.2160      1.00000
     10       1.1392      1.00000
     11       4.6872      1.00705
     12       5.6135     -0.00076
     13       6.4591      0.00000
     14       6.7549      0.00000
     15       8.5924      0.00000
     16       8.8995      0.00000
     17       9.1171      0.00000
     18       9.3891      0.00000

 k-point  93 :       0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6570      1.00000
      2     -10.6684      1.00000
      3     -10.4853      1.00000
      4     -10.4687      1.00000
      5      -0.4875      1.00000
      6      -0.4820      1.00000
      7      -0.3513      1.00000
      8      -0.1956      1.00000
      9      -0.1901      1.00000
     10       1.4607      1.00000
     11       4.4109      1.00001
     12       5.4191     -0.02210
     13       6.3057      0.00000
     14       6.9800      0.00000
     15       8.7193      0.00000
     16       8.8973      0.00000
     17       9.2835      0.00000
     18       9.5907      0.00000

 k-point  94 :       0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6548      1.00000
      2     -10.7064      1.00000
      3     -10.5121      1.00000
      4     -10.4830      1.00000
      5      -0.4559      1.00000
      6      -0.4269      1.00000
      7      -0.3007      1.00000
      8      -0.1809      1.00000
      9      -0.1710      1.00000
     10       1.7917      1.00000
     11       4.1554      1.00000
     12       5.2912     -0.02307
     13       6.0884      0.00000
     14       7.2520      0.00000
     15       8.8677      0.00000
     16       8.9375      0.00000
     17       9.2055      0.00000
     18       9.5923      0.00000

 k-point  95 :       0.5000    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6531      1.00000
      2     -10.7335      1.00000
      3     -10.5383      1.00000
      4     -10.4930      1.00000
      5      -0.4085      1.00000
      6      -0.3647      1.00000
      7      -0.2688      1.00000
      8      -0.1848      1.00000
      9      -0.1577      1.00000
     10       2.1218      1.00000
     11       3.9003      1.00000
     12       5.2446      0.02434
     13       5.8654      0.00000
     14       7.4899      0.00000
     15       8.8431      0.00000
     16       8.9388      0.00000
     17       9.1836      0.00000
     18       9.6544      0.00000

 k-point  96 :      -0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6521      1.00000
      2     -10.7469      1.00000
      3     -10.5589      1.00000
      4     -10.4970      1.00000
      5      -0.3546      1.00000
      6      -0.3245      1.00000
      7      -0.2435      1.00000
      8      -0.2057      1.00000
      9      -0.1558      1.00000
     10       2.4375      1.00000
     11       3.6367      1.00000
     12       5.2282      0.05243
     13       5.6789     -0.00015
     14       7.6531      0.00000
     15       8.5245      0.00000
     16       8.9882      0.00000
     17       9.1636      0.00000
     18       9.6031      0.00000

 k-point  97 :      -0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6520      1.00000
      2     -10.7466      1.00000
      3     -10.5689      1.00000
      4     -10.4946      1.00000
      5      -0.3477      1.00000
      6      -0.2921      1.00000
      7      -0.2395      1.00000
      8      -0.2006      1.00000
      9      -0.1653      1.00000
     10       2.6696      1.00000
     11       3.4164      1.00000
     12       5.1828      0.16496
     13       5.5572     -0.00258
     14       7.8383      0.00000
     15       8.2168      0.00000
     16       8.8537      0.00000
     17       9.4339      0.00000
     18       9.8137      0.00000

 k-point  98 :      -0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6528      1.00000
      2     -10.7347      1.00000
      3     -10.5646      1.00000
      4     -10.4863      1.00000
      5      -0.3883      1.00000
      6      -0.2845      1.00000
      7      -0.2443      1.00000
      8      -0.1860      1.00000
      9      -0.1685      1.00000
     10       2.5635      1.00000
     11       3.4877      1.00000
     12       5.1273      0.36501
     13       5.5090     -0.00633
     14       7.8303      0.00000
     15       8.2362      0.00000
     16       8.8368      0.00000
     17       9.5265      0.00000
     18       9.7875      0.00000

 k-point  99 :      -0.2500    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6543      1.00000
      2     -10.7139      1.00000
      3     -10.5453      1.00000
      4     -10.4736      1.00000
      5      -0.4331      1.00000
      6      -0.3257      1.00000
      7      -0.2174      1.00000
      8      -0.2119      1.00000
      9      -0.1665      1.00000
     10       2.1695      1.00000
     11       3.8182      1.00000
     12       5.1232      0.38159
     13       5.5349     -0.00397
     14       7.5541      0.00000
     15       8.6699      0.00000
     16       8.8803      0.00000
     17       9.2634      0.00000
     18       9.5178      0.00000

 k-point 100 :      -0.1875    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6564      1.00000
      2     -10.6864      1.00000
      3     -10.5144      1.00000
      4     -10.4584      1.00000
      5      -0.4667      1.00000
      6      -0.3611      1.00000
      7      -0.2431      1.00000
      8      -0.2105      1.00000
      9      -0.1969      1.00000
     10       1.7080      1.00000
     11       4.2171      1.00000
     12       5.2038      0.10640
     13       5.6331     -0.00047
     14       7.3375      0.00000
     15       8.8337      0.00000
     16       8.8552      0.00000
     17       9.1354      0.00000
     18       9.4525      0.00000

 k-point 101 :       0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6558      1.00000
      2     -10.6817      1.00000
      3     -10.4898      1.00000
      4     -10.4825      1.00000
      5      -0.5381      1.00000
      6      -0.4965      1.00000
      7      -0.3923      1.00000
      8      -0.1671      1.00000
      9      -0.1664      1.00000
     10       1.5153      1.00000
     11       4.4699      1.00005
     12       5.4422     -0.01698
     13       6.6008      0.00000
     14       6.8885      0.00000
     15       8.8624      0.00000
     16       9.1669      0.00000
     17       9.2321      0.00000
     18       9.6307      0.00000

 k-point 102 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6539      1.00000
      2     -10.7062      1.00000
      3     -10.5154      1.00000
      4     -10.4962      1.00000
      5      -0.5216      1.00000
      6      -0.4615      1.00000
      7      -0.3587      1.00000
      8      -0.1564      1.00000
      9      -0.1468      1.00000
     10       1.7014      1.00000
     11       4.4285      1.00001
     12       5.3058     -0.02988
     13       6.4713      0.00000
     14       7.1396      0.00000
     15       9.0225      0.00000
     16       9.1523      0.00000
     17       9.2197      0.00000
     18       9.5815      0.00000

 k-point 103 :       0.5000    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6524      1.00000
      2     -10.7197      1.00000
      3     -10.5482      1.00000
      4     -10.5055      1.00000
      5      -0.4829      1.00000
      6      -0.4157      1.00000
      7      -0.3301      1.00000
      8      -0.1606      1.00000
      9      -0.1356      1.00000
     10       1.9015      1.00000
     11       4.3503      1.00000
     12       5.2429      0.02700
     13       6.2509      0.00000
     14       7.3610      0.00000
     15       8.8976      0.00000
     16       9.1650      0.00000
     17       9.2684      0.00000
     18       9.7827      0.00000

 k-point 104 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6514      1.00000
      2     -10.7204      1.00000
      3     -10.5826      1.00000
      4     -10.5093      1.00000
      5      -0.4286      1.00000
      6      -0.3802      1.00000
      7      -0.2994      1.00000
      8      -0.1803      1.00000
      9      -0.1346      1.00000
     10       2.1279      1.00000
     11       4.1921      1.00000
     12       5.2298      0.04938
     13       6.0098      0.00000
     14       7.4410      0.00000
     15       8.6311      0.00000
     16       9.1923      0.00000
     17       9.3572      0.00000
     18       9.7147      0.00000

 k-point 105 :      -0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6511      1.00000
      2     -10.7116      1.00000
      3     -10.6095      1.00000
      4     -10.5070      1.00000
      5      -0.3914      1.00000
      6      -0.3552      1.00000
      7      -0.2492      1.00000
      8      -0.2125      1.00000
      9      -0.1439      1.00000
     10       2.3694      1.00000
     11       3.9581      1.00000
     12       5.1706      0.20389
     13       5.8150      0.00000
     14       7.5128      0.00000
     15       8.3067      0.00000
     16       9.1481      0.00000
     17       9.6043      0.00000
     18       9.7631      0.00000

 k-point 106 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6515      1.00000
      2     -10.7063      1.00000
      3     -10.6132      1.00000
      4     -10.4994      1.00000
      5      -0.4076      1.00000
      6      -0.2970      1.00000
      7      -0.2518      1.00000
      8      -0.1989      1.00000
      9      -0.1622      1.00000
     10       2.5596      1.00000
     11       3.6988      1.00000
     12       5.0821      0.55423
     13       5.6783     -0.00015
     14       7.7542      0.00000
     15       7.9907      0.00000
     16       9.1749      0.00000
     17       9.5315      0.00000
     18       9.7839      0.00000

 k-point 107 :      -0.2500    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6527      1.00000
      2     -10.7110      1.00000
      3     -10.5867      1.00000
      4     -10.4876      1.00000
      5      -0.4261      1.00000
      6      -0.2920      1.00000
      7      -0.2467      1.00000
      8      -0.1867      1.00000
      9      -0.1681      1.00000
     10       2.5094      1.00000
     11       3.6202      1.00000
     12       5.0570      0.65709
     13       5.5809     -0.00157
     14       7.7264      0.00000
     15       8.1766      0.00000
     16       9.1566      0.00000
     17       9.3695      0.00000
     18       9.7519      0.00000

 k-point 108 :       0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6529      1.00000
      2     -10.7191      1.00000
      3     -10.5135      1.00000
      4     -10.5079      1.00000
      5      -0.5716      1.00000
      6      -0.4770      1.00000
      7      -0.4028      1.00000
      8      -0.1345      1.00000
      9      -0.1275      1.00000
     10       1.6095      1.00000
     11       4.7411      1.01564
     12       5.3186     -0.03346
     13       6.8096      0.00000
     14       7.1274      0.00000
     15       9.0340      0.00000
     16       9.2705      0.00000
     17       9.3560      0.00000
     18       9.5813      0.00000

 k-point 109 :       0.5000    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6516      1.00000
      2     -10.7254      1.00000
      3     -10.5405      1.00000
      4     -10.5173      1.00000
      5      -0.5479      1.00000
      6      -0.4503      1.00000
      7      -0.3851      1.00000
      8      -0.1370      1.00000
      9      -0.1172      1.00000
     10       1.7042      1.00000
     11       4.8286      1.03394
     12       5.2403      0.03115
     13       6.6185      0.00000
     14       7.3406      0.00000
     15       8.9405      0.00000
     16       9.3441      0.00000
     17       9.3886      0.00000
     18       9.4898      0.00000

 k-point 110 :      -0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6508      1.00000
      2     -10.7175      1.00000
      3     -10.5788      1.00000
      4     -10.5204      1.00000
      5      -0.5013      1.00000
      6      -0.4242      1.00000
      7      -0.3548      1.00000
      8      -0.1533      1.00000
      9      -0.1162      1.00000
     10       1.8599      1.00000
     11       4.7522      1.01796
     12       5.2422      0.02803
     13       6.3158      0.00000
     14       7.3914      0.00000
     15       8.7291      0.00000
     16       9.3763      0.00000
     17       9.4117      0.00000
     18       9.6853      0.00000

 k-point 111 :      -0.3750    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6504      1.00000
      2     -10.6946      1.00000
      3     -10.6229      1.00000
      4     -10.5179      1.00000
      5      -0.4420      1.00000
      6      -0.4094      1.00000
      7      -0.3053      1.00000
      8      -0.1811      1.00000
      9      -0.1243      1.00000
     10       2.0758      1.00000
     11       4.5250      1.00021
     12       5.1977      0.12225
     13       6.0510      0.00000
     14       7.3564      0.00000
     15       8.4445      0.00000
     16       9.4099      0.00000
     17       9.5419      0.00000
     18       9.8854      0.00000

 k-point 112 :      -0.3125    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6507      1.00000
      2     -10.6686      1.00000
      3     -10.6572      1.00000
      4     -10.5105      1.00000
      5      -0.4167      1.00000
      6      -0.3611      1.00000
      7      -0.2486      1.00000
      8      -0.2156      1.00000
      9      -0.1407      1.00000
     10       2.3298      1.00000
     11       4.1410      1.00000
     12       5.1072      0.44811
     13       5.8645      0.00000
     14       7.4593      0.00000
     15       8.1771      0.00000
     16       9.4103      0.00000
     17       9.5115      0.00000
     18       9.7886      0.00000

 k-point 113 :       0.5000    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.6510      1.00000
      2     -10.7386      1.00000
      3     -10.5291      1.00000
      4     -10.5253      1.00000
      5      -0.5938      1.00000
      6      -0.4663      1.00000
      7      -0.4269      1.00000
      8      -0.1169      1.00000
      9      -0.1057      1.00000
     10       1.5663      1.00000
     11       5.2135      0.08312
     12       5.2440      0.02531
     13       6.9528      0.00000
     14       7.3889      0.00000
     15       9.0054      0.00000
     16       9.4569      0.00000
     17       9.5297      0.00000
     18       9.5691      0.00000

 k-point 114 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.6504      1.00000
      2     -10.7319      1.00000
      3     -10.5552      1.00000
      4     -10.5286      1.00000
      5      -0.5621      1.00000
      6      -0.4534      1.00000
      7      -0.4024      1.00000
      8      -0.1296      1.00000
      9      -0.1037      1.00000
     10       1.6581      1.00000
     11       5.1336      0.33969
     12       5.3259     -0.03463
     13       6.6024      0.00000
     14       7.4874      0.00000
     15       8.8565      0.00000
     16       9.4756      0.00000
     17       9.6041      0.00000
     18       9.6799      0.00000

 k-point 115 :      -0.3750    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.6502      1.00000
      2     -10.7134      1.00000
      3     -10.5920      1.00000
      4     -10.5255      1.00000
      5      -0.5077      1.00000
      6      -0.4359      1.00000
      7      -0.3595      1.00000
      8      -0.1515      1.00000
      9      -0.1099      1.00000
     10       1.8316      1.00000
     11       4.9427      0.97946
     12       5.2873     -0.02070
     13       6.2655      0.00000
     14       7.4025      0.00000
     15       8.6407      0.00000
     16       9.5485      0.00000
     17       9.5699      0.00000
     18       9.6244      0.00000

 k-point 116 :      -0.4375    0.5000    0.0625
  band No.  band energies     occupation
      1     -30.6503      1.00000
      2     -10.7445      1.00000
      3     -10.5346      1.00000
      4     -10.5315      1.00000
      5      -0.6018      1.00000
      6      -0.4659      1.00000
      7      -0.4370      1.00000
      8      -0.1120      1.00000
      9      -0.0996      1.00000
     10       1.5382      1.00000
     11       5.2188      0.07138
     12       5.4577     -0.01389
     13       6.9704      0.00000
     14       7.5135      0.00000
     15       8.9871      0.00000
     16       9.5428      0.00000
     17       9.6034      0.00000
     18       9.6438      0.00000

 k-point 117 :       0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6582      1.00000
      2     -10.6540      1.00000
      3     -10.4827      1.00000
      4     -10.4538      1.00000
      5      -0.4917      1.00000
      6      -0.4404      1.00000
      7      -0.3032      1.00000
      8      -0.2308      1.00000
      9      -0.2097      1.00000
     10       1.3433      1.00000
     11       4.5118      1.00015
     12       5.3878     -0.02920
     13       6.0595      0.00000
     14       7.0601      0.00000
     15       8.5977      0.00000
     16       8.8178      0.00000
     17       9.2465      0.00000
     18       9.6018      0.00000

 k-point 118 :       0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6558      1.00000
      2     -10.6934      1.00000
      3     -10.5114      1.00000
      4     -10.4698      1.00000
      5      -0.4558      1.00000
      6      -0.4126      1.00000
      7      -0.2452      1.00000
      8      -0.2043      1.00000
      9      -0.1954      1.00000
     10       1.7458      1.00000
     11       4.1664      1.00000
     12       5.2445      0.02449
     13       5.8562      0.00000
     14       7.2830      0.00000
     15       8.8319      0.00000
     16       8.9071      0.00000
     17       9.1579      0.00000
     18       9.5249      0.00000

 k-point 119 :       0.5000    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6538      1.00000
      2     -10.7253      1.00000
      3     -10.5358      1.00000
      4     -10.4844      1.00000
      5      -0.4060      1.00000
      6      -0.3697      1.00000
      7      -0.2145      1.00000
      8      -0.1999      1.00000
      9      -0.1783      1.00000
     10       2.1488      1.00000
     11       3.8334      1.00000
     12       5.1853      0.15747
     13       5.6827     -0.00013
     14       7.5516      0.00000
     15       8.7419      0.00000
     16       8.8192      0.00000
     17       9.2412      0.00000
     18       9.5517      0.00000

 k-point 120 :      -0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6525      1.00000
      2     -10.7460      1.00000
      3     -10.5520      1.00000
      4     -10.4944      1.00000
      5      -0.3558      1.00000
      6      -0.3191      1.00000
      7      -0.2300      1.00000
      8      -0.2030      1.00000
      9      -0.1620      1.00000
     10       2.5052      1.00000
     11       3.5338      1.00000
     12       5.1919      0.13840
     13       5.5660     -0.00215
     14       7.7916      0.00000
     15       8.4093      0.00000
     16       8.8560      0.00000
     17       9.3138      0.00000
     18       9.8181      0.00000

 k-point 121 :      -0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6520      1.00000
      2     -10.7532      1.00000
      3     -10.5577      1.00000
      4     -10.4980      1.00000
      5      -0.3305      1.00000
      6      -0.2785      1.00000
      7      -0.2592      1.00000
      8      -0.2085      1.00000
      9      -0.1557      1.00000
     10       2.6848      1.00000
     11       3.3759      1.00000
     12       5.2069      0.09885
     13       5.5242     -0.00485
     14       7.8921      0.00000
     15       8.2718      0.00000
     16       9.0107      0.00000
     17       9.0922      0.00000
     18       9.7950      0.00000

 k-point 122 :       0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6550      1.00000
      2     -10.6944      1.00000
      3     -10.5130      1.00000
      4     -10.4843      1.00000
      5      -0.4738      1.00000
      6      -0.4685      1.00000
      7      -0.3043      1.00000
      8      -0.1779      1.00000
      9      -0.1714      1.00000
     10       1.7313      1.00000
     11       4.2652      1.00000
     12       5.2701     -0.00705
     13       6.1819      0.00000
     14       7.1717      0.00000
     15       8.9785      0.00000
     16       9.1054      0.00000
     17       9.1154      0.00000
     18       9.5335      0.00000

 k-point 123 :       0.5000    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6532      1.00000
      2     -10.7122      1.00000
      3     -10.5426      1.00000
      4     -10.4995      1.00000
      5      -0.4430      1.00000
      6      -0.4357      1.00000
      7      -0.2695      1.00000
      8      -0.1830      1.00000
      9      -0.1512      1.00000
     10       1.9974      1.00000
     11       4.1383      1.00000
     12       5.1769      0.18326
     13       6.0014      0.00000
     14       7.4292      0.00000
     15       8.7811      0.00000
     16       9.1233      0.00000
     17       9.3052      0.00000
     18       9.6711      0.00000

 k-point 124 :      -0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6519      1.00000
      2     -10.7203      1.00000
      3     -10.5703      1.00000
      4     -10.5101      1.00000
      5      -0.4068      1.00000
      6      -0.3872      1.00000
      7      -0.2542      1.00000
      8      -0.2068      1.00000
      9      -0.1383      1.00000
     10       2.2441      1.00000
     11       3.9942      1.00000
     12       5.1683      0.21130
     13       5.8126      0.00000
     14       7.6401      0.00000
     15       8.5144      0.00000
     16       9.1104      0.00000
     17       9.3360      0.00000
     18       9.7538      0.00000

 k-point 125 :      -0.3750    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6513      1.00000
      2     -10.7206      1.00000
      3     -10.5899      1.00000
      4     -10.5138      1.00000
      5      -0.3844      1.00000
      6      -0.3312      1.00000
      7      -0.2488      1.00000
      8      -0.2396      1.00000
      9      -0.1350      1.00000
     10       2.4398      1.00000
     11       3.8429      1.00000
     12       5.1814      0.16916
     13       5.6739     -0.00017
     14       7.7210      0.00000
     15       8.3829      0.00000
     16       9.1588      0.00000
     17       9.2117      0.00000
     18       9.8524      0.00000

 k-point 126 :      -0.3125    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6514      1.00000
      2     -10.7176      1.00000
      3     -10.5933      1.00000
      4     -10.5100      1.00000
      5      -0.3937      1.00000
      6      -0.2954      1.00000
      7      -0.2753      1.00000
      8      -0.2206      1.00000
      9      -0.1413      1.00000
     10       2.5126      1.00000
     11       3.7494      1.00000
     12       5.1375      0.32429
     13       5.6412     -0.00039
     14       7.8086      0.00000
     15       8.1974      0.00000
     16       9.0952      0.00000
     17       9.4136      0.00000
     18       9.9014      0.00000

 k-point 127 :      -0.2500    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6523      1.00000
      2     -10.7143      1.00000
      3     -10.5774      1.00000
      4     -10.4998      1.00000
      5      -0.4210      1.00000
      6      -0.3432      1.00000
      7      -0.2327      1.00000
      8      -0.2023      1.00000
      9      -0.1567      1.00000
     10       2.3860      1.00000
     11       3.7916      1.00000
     12       5.0932      0.50732
     13       5.6807     -0.00014
     14       7.7155      0.00000
     15       8.2975      0.00000
     16       9.1134      0.00000
     17       9.4552      0.00000
     18       9.7900      0.00000

 k-point 128 :      -0.1875    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6539      1.00000
      2     -10.7074      1.00000
      3     -10.5473      1.00000
      4     -10.4854      1.00000
      5      -0.4456      1.00000
      6      -0.3849      1.00000
      7      -0.2154      1.00000
      8      -0.1987      1.00000
      9      -0.1788      1.00000
     10       2.0979      1.00000
     11       3.9508      1.00000
     12       5.1271      0.36580
     13       5.7537     -0.00002
     14       7.4723      0.00000
     15       8.7040      0.00000
     16       9.0913      0.00000
     17       9.2509      0.00000
     18       9.4520      0.00000

 k-point 129 :       0.5000    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6524      1.00000
      2     -10.7150      1.00000
      3     -10.5382      1.00000
      4     -10.5141      1.00000
      5      -0.5024      1.00000
      6      -0.4537      1.00000
      7      -0.3309      1.00000
      8      -0.1601      1.00000
      9      -0.1298      1.00000
     10       1.8338      1.00000
     11       4.5043      1.00012
     12       5.1937      0.13327
     13       6.3133      0.00000
     14       7.3843      0.00000
     15       8.8463      0.00000
     16       9.3133      0.00000
     17       9.3167      0.00000
     18       9.4883      0.00000

 k-point 130 :      -0.4375    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6513      1.00000
      2     -10.7122      1.00000
      3     -10.5693      1.00000
      4     -10.5264      1.00000
      5      -0.4620      1.00000
      6      -0.4365      1.00000
      7      -0.3072      1.00000
      8      -0.1809      1.00000
      9      -0.1185      1.00000
     10       1.9935      1.00000
     11       4.5178      1.00017
     12       5.1482      0.28297
     13       6.0346      0.00000
     14       7.6189      0.00000
     15       8.6234      0.00000
     16       9.3282      0.00000
     17       9.3947      0.00000
     18       9.8665      0.00000

 k-point 131 :      -0.3750    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6506      1.00000
      2     -10.6979      1.00000
      3     -10.6056      1.00000
      4     -10.5297      1.00000
      5      -0.4267      1.00000
      6      -0.4006      1.00000
      7      -0.2843      1.00000
      8      -0.2153      1.00000
      9      -0.1162      1.00000
     10       2.1763      1.00000
     11       4.4036      1.00001
     12       5.1651      0.22216
     13       5.7664     -0.00001
     14       7.7012      0.00000
     15       8.5027      0.00000
     16       9.3245      0.00000
     17       9.3705      0.00000
     18       9.7893      0.00000

 k-point 132 :      -0.3125    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6506      1.00000
      2     -10.6812      1.00000
      3     -10.6326      1.00000
      4     -10.5251      1.00000
      5      -0.4214      1.00000
      6      -0.3385      1.00000
      7      -0.2589      1.00000
      8      -0.2533      1.00000
      9      -0.1223      1.00000
     10       2.3509      1.00000
     11       4.1824      1.00000
     12       5.1148      0.41627
     13       5.6714     -0.00018
     14       7.7575      0.00000
     15       8.2474      0.00000
     16       9.3450      0.00000
     17       9.5029      0.00000
     18       9.7751      0.00000

 k-point 133 :      -0.2500    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6512      1.00000
      2     -10.6936      1.00000
      3     -10.6164      1.00000
      4     -10.5144      1.00000
      5      -0.4241      1.00000
      6      -0.3040      1.00000
      7      -0.2792      1.00000
      8      -0.2219      1.00000
      9      -0.1370      1.00000
     10       2.4516      1.00000
     11       3.9290      1.00000
     12       5.0619      0.63770
     13       5.6813     -0.00014
     14       7.9475      0.00000
     15       7.9508      0.00000
     16       9.3316      0.00000
     17       9.4293      0.00000
     18       9.8743      0.00000

 k-point 134 :      -0.4375    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.6507      1.00000
      2     -10.7209      1.00000
      3     -10.5548      1.00000
      4     -10.5373      1.00000
      5      -0.5212      1.00000
      6      -0.4541      1.00000
      7      -0.3586      1.00000
      8      -0.1538      1.00000
      9      -0.1061      1.00000
     10       1.7901      1.00000
     11       4.9998      0.85630
     12       5.1495      0.27816
     13       6.2529      0.00000
     14       7.6336      0.00000
     15       8.7623      0.00000
     16       9.4518      0.00000
     17       9.4842      0.00000
     18       9.8174      0.00000

 k-point 135 :      -0.3750    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.6502      1.00000
      2     -10.7043      1.00000
      3     -10.5875      1.00000
      4     -10.5425      1.00000
      5      -0.4739      1.00000
      6      -0.4486      1.00000
      7      -0.3274      1.00000
      8      -0.1822      1.00000
      9      -0.1037      1.00000
     10       1.9407      1.00000
     11       4.9445      0.97672
     12       5.1893      0.14582
     13       5.8192      0.00000
     14       7.7830      0.00000
     15       8.6530      0.00000
     16       9.4546      0.00000
     17       9.6075      0.00000
     18       9.6471      0.00000

 k-point 136 :      -0.3125    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.6502      1.00000
      2     -10.6782      1.00000
      3     -10.6285      1.00000
      4     -10.5369      1.00000
      5      -0.4410      1.00000
      6      -0.4064      1.00000
      7      -0.2921      1.00000
      8      -0.2196      1.00000
      9      -0.1096      1.00000
     10       2.1391      1.00000
     11       4.6512      1.00371
     12       5.1582      0.24651
     13       5.6505     -0.00031
     14       7.7714      0.00000
     15       8.4433      0.00000
     16       9.5056      0.00000
     17       9.5339      0.00000
     18       9.6516      0.00000

 k-point 137 :      -0.3750    0.5000    0.1250
  band No.  band energies     occupation
      1     -30.6502      1.00000
      2     -10.7211      1.00000
      3     -10.5605      1.00000
      4     -10.5463      1.00000
      5      -0.5279      1.00000
      6      -0.4598      1.00000
      7      -0.3677      1.00000
      8      -0.1522      1.00000
      9      -0.0990      1.00000
     10       1.7615      1.00000
     11       5.1349      0.33446
     12       5.3232     -0.03427
     13       6.0877      0.00000
     14       7.7584      0.00000
     15       8.8011      0.00000
     16       9.4855      0.00000
     17       9.6067      0.00000
     18       9.6494      0.00000

 k-point 138 :      -0.4375    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.6518      1.00000
      2     -10.7077      1.00000
      3     -10.5745      1.00000
      4     -10.5170      1.00000
      5      -0.4374      1.00000
      6      -0.4062      1.00000
      7      -0.2556      1.00000
      8      -0.2077      1.00000
      9      -0.1333      1.00000
     10       2.1807      1.00000
     11       4.1639      1.00000
     12       5.0924      0.51081
     13       5.8537      0.00000
     14       7.6822      0.00000
     15       8.4239      0.00000
     16       9.2999      0.00000
     17       9.4119      0.00000
     18       9.7780      0.00000

 k-point 139 :      -0.3750    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.6509      1.00000
      2     -10.6956      1.00000
      3     -10.6037      1.00000
      4     -10.5300      1.00000
      5      -0.4283      1.00000
      6      -0.3578      1.00000
      7      -0.2584      1.00000
      8      -0.2461      1.00000
      9      -0.1206      1.00000
     10       2.3136      1.00000
     11       4.1882      1.00000
     12       5.0945      0.50194
     13       5.6742     -0.00016
     14       7.8826      0.00000
     15       8.2794      0.00000
     16       9.3199      0.00000
     17       9.4264      0.00000
     18       9.8481      0.00000

 k-point 140 :      -0.3125    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.6506      1.00000
      2     -10.6871      1.00000
      3     -10.6180      1.00000
      4     -10.5348      1.00000
      5      -0.4231      1.00000
      6      -0.3055      1.00000
      7      -0.3006      1.00000
      8      -0.2569      1.00000
      9      -0.1158      1.00000
     10       2.3630      1.00000
     11       4.1943      1.00000
     12       5.1318      0.34681
     13       5.5726     -0.00188
     14       7.8913      0.00000
     15       8.3543      0.00000
     16       9.3241      0.00000
     17       9.3520      0.00000
     18       9.8569      0.00000

 k-point 141 :      -0.3750    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.6505      1.00000
      2     -10.6946      1.00000
      3     -10.5924      1.00000
      4     -10.5469      1.00000
      5      -0.4467      1.00000
      6      -0.4207      1.00000
      7      -0.2916      1.00000
      8      -0.2165      1.00000
      9      -0.1074      1.00000
     10       2.1111      1.00000
     11       4.6697      1.00521
     12       5.0789      0.56746
     13       5.6808     -0.00014
     14       7.9330      0.00000
     15       8.4750      0.00000
     16       9.4367      0.00000
     17       9.4614      0.00000
     18       9.7515      0.00000

 k-point 142 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.6501      1.00000
      2     -10.6692      1.00000
      3     -10.6241      1.00000
      4     -10.5541      1.00000
      5      -0.4475      1.00000
      6      -0.3659      1.00000
      7      -0.2795      1.00000
      8      -0.2634      1.00000
      9      -0.1036      1.00000
     10       2.2281      1.00000
     11       4.6653      1.00482
     12       5.1083      0.44354
     13       5.3957     -0.02747
     14       8.0892      0.00000
     15       8.4337      0.00000
     16       9.4262      0.00000
     17       9.5288      0.00000
     18       9.7061      0.00000

 k-point 143 :      -0.2500    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.6503      1.00000
      2     -10.6632      1.00000
      3     -10.6359      1.00000
      4     -10.5467      1.00000
      5      -0.4419      1.00000
      6      -0.3130      1.00000
      7      -0.3059      1.00000
      8      -0.2655      1.00000
      9      -0.1083      1.00000
     10       2.3063      1.00000
     11       4.4526      1.00003
     12       5.0791      0.56651
     13       5.4752     -0.01084
     14       8.1420      0.00000
     15       8.2137      0.00000
     16       9.4648      0.00000
     17       9.5613      0.00000
     18       9.7004      0.00000

 k-point 144 :      -0.3125    0.5000    0.1875
  band No.  band energies     occupation
      1     -30.6500      1.00000
      2     -10.6856      1.00000
      3     -10.5987      1.00000
      4     -10.5610      1.00000
      5      -0.4566      1.00000
      6      -0.4258      1.00000
      7      -0.3031      1.00000
      8      -0.2214      1.00000
      9      -0.0989      1.00000
     10       2.0740      1.00000
     11       5.0755      0.58167
     12       5.1793      0.17582
     13       5.2766     -0.01282
     14       8.0658      0.00000
     15       8.6056      0.00000
     16       9.4859      0.00000
     17       9.5928      0.00000
     18       9.8839      0.00000

 k-point 145 :      -0.2500    0.5000    0.2500
  band No.  band energies     occupation
      1     -30.6500      1.00000
      2     -10.6427      1.00000
      3     -10.6427      1.00000
      4     -10.5671      1.00000
      5      -0.4554      1.00000
      6      -0.3166      1.00000
      7      -0.3166      1.00000
      8      -0.2789      1.00000
      9      -0.0989      1.00000
     10       2.2504      1.00000
     11       4.9215      1.00528
     12       5.0871      0.53295
     13       5.0871      0.53295
     14       8.3617      0.00000
     15       8.3619      0.00000
     16       9.5117      0.00000
     17       9.5541      0.00000
     18       9.6452      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6684      1.00000
      2     -10.3750      1.00000
      3     -10.3750      1.00000
      4     -10.3750      1.00000
      5      -0.6024      1.00000
      6      -0.6024      1.00000
      7      -0.4108      1.00000
      8      -0.4108      1.00000
      9      -0.4108      1.00000
     10      -0.4015      1.00000
     11       6.8273      0.00000
     12       6.8274      0.00000
     13       6.8274      0.00000
     14       7.9339      0.00000
     15       7.9339      0.00000
     16       7.9356      0.00000
     17       7.9415      0.00000
     18       8.5687      0.00000

 k-point   2 :       0.0625    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6678      1.00000
      2     -10.3933      1.00000
      3     -10.3786      1.00000
      4     -10.3786      1.00000
      5      -0.5866      1.00000
      6      -0.5866      1.00000
      7      -0.4059      1.00000
      8      -0.4029      1.00000
      9      -0.4029      1.00000
     10      -0.3275      1.00000
     11       6.6079      0.00000
     12       6.8099      0.00000
     13       6.8099      0.00000
     14       7.7004      0.00000
     15       7.7007      0.00000
     16       7.9017      0.00000
     17       8.1368      0.00000
     18       8.8143      0.00000

 k-point   3 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6661      1.00000
      2     -10.4449      1.00000
      3     -10.3888      1.00000
      4     -10.3888      1.00000
      5      -0.5413      1.00000
      6      -0.5413      1.00000
      7      -0.3936      1.00000
      8      -0.3804      1.00000
      9      -0.3804      1.00000
     10      -0.1110      1.00000
     11       6.1542      0.00000
     12       6.6774      0.00000
     13       6.6774      0.00000
     14       7.4497      0.00000
     15       7.4497      0.00000
     16       7.8193      0.00000
     17       8.5190      0.00000
     18       9.1813      0.00000

 k-point   4 :       0.1875    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6635      1.00000
      2     -10.5203      1.00000
      3     -10.4040      1.00000
      4     -10.4040      1.00000
      5      -0.4720      1.00000
      6      -0.4720      1.00000
      7      -0.3731      1.00000
      8      -0.3454      1.00000
      9      -0.3454      1.00000
     10       0.2315      1.00000
     11       5.6314     -0.00049
     12       6.3456      0.00000
     13       6.3456      0.00000
     14       7.4540      0.00000
     15       7.4540      0.00000
     16       7.7338      0.00000
     17       8.9136      0.00000
     18       9.4910      0.00000

 k-point   5 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6605      1.00000
      2     -10.6064      1.00000
      3     -10.4218      1.00000
      4     -10.4218      1.00000
      5      -0.3885      1.00000
      6      -0.3885      1.00000
      7      -0.3465      1.00000
      8      -0.3062      1.00000
      9      -0.3062      1.00000
     10       0.6742      1.00000
     11       5.0935      0.50583
     12       5.9489      0.00000
     13       5.9489      0.00000
     14       7.6222      0.00000
     15       7.6222      0.00000
     16       7.6881      0.00000
     17       9.3354      0.00000
     18       9.7296      0.00000

 k-point   6 :       0.3125    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6575      1.00000
      2     -10.6898      1.00000
      3     -10.4395      1.00000
      4     -10.4395      1.00000
      5      -0.3145      1.00000
      6      -0.3008      1.00000
      7      -0.3008      1.00000
      8      -0.2659      1.00000
      9      -0.2659      1.00000
     10       1.1838      1.00000
     11       4.5672      1.00061
     12       5.5883     -0.00134
     13       5.5883     -0.00134
     14       7.7158      0.00000
     15       7.8761      0.00000
     16       7.8761      0.00000
     17       9.6141      0.00000
     18       9.8251      0.00000

 k-point   7 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6549      1.00000
      2     -10.7585      1.00000
      3     -10.4544      1.00000
      4     -10.4544      1.00000
      5      -0.2834      1.00000
      6      -0.2321      1.00000
      7      -0.2321      1.00000
      8      -0.2225      1.00000
      9      -0.2225      1.00000
     10       1.7180      1.00000
     11       4.0675      1.00000
     12       5.3059     -0.02994
     13       5.3059     -0.02995
     14       7.8382      0.00000
     15       8.1821      0.00000
     16       8.1821      0.00000
     17       9.6406      0.00000
     18       9.7236      0.00000

 k-point   8 :       0.4375    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6532      1.00000
      2     -10.8035      1.00000
      3     -10.4643      1.00000
      4     -10.4643      1.00000
      5      -0.2596      1.00000
      6      -0.2087      1.00000
      7      -0.2087      1.00000
      8      -0.1686      1.00000
      9      -0.1686      1.00000
     10       2.2136      1.00000
     11       3.6185      1.00000
     12       5.1262      0.36941
     13       5.1262      0.36939
     14       8.0460      0.00000
     15       8.5040      0.00000
     16       8.5045      0.00000
     17       9.3305      0.00000
     18       9.4980      0.00000

 k-point   9 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.6526      1.00000
      2     -10.8191      1.00000
      3     -10.4678      1.00000
      4     -10.4678      1.00000
      5      -0.2518      1.00000
      6      -0.2007      1.00000
      7      -0.2007      1.00000
      8      -0.1494      1.00000
      9      -0.1494      1.00000
     10       2.4784      1.00000
     11       3.3744      1.00000
     12       5.0644      0.62727
     13       5.0645      0.62725
     14       8.1899      0.00000
     15       8.7065      0.00000
     16       8.7090      0.00000
     17       9.1471      0.00000
     18       9.2108      0.00000

 k-point  10 :       0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6676      1.00000
      2     -10.3968      1.00000
      3     -10.3809      1.00000
      4     -10.3809      1.00000
      5      -0.5976      1.00000
      6      -0.5732      1.00000
      7      -0.4190      1.00000
      8      -0.3935      1.00000
      9      -0.3935      1.00000
     10      -0.2953      1.00000
     11       6.6607      0.00000
     12       6.7528      0.00000
     13       6.7528      0.00000
     14       7.2746      0.00000
     15       8.0629      0.00000
     16       8.0660      0.00000
     17       8.1358      0.00000
     18       8.8225      0.00000

 k-point  11 :       0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6663      1.00000
      2     -10.4355      1.00000
      3     -10.3900      1.00000
      4     -10.3890      1.00000
      5      -0.5773      1.00000
      6      -0.5372      1.00000
      7      -0.4198      1.00000
      8      -0.3717      1.00000
      9      -0.3696      1.00000
     10      -0.1153      1.00000
     11       6.3085      0.00000
     12       6.6424      0.00000
     13       6.6594      0.00000
     14       6.9770      0.00000
     15       7.9444      0.00000
     16       8.0450      0.00000
     17       8.4555      0.00000
     18       8.8821      0.00000

 k-point  12 :       0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6640      1.00000
      2     -10.5011      1.00000
      3     -10.4043      1.00000
      4     -10.4024      1.00000
      5      -0.5291      1.00000
      6      -0.4722      1.00000
      7      -0.4080      1.00000
      8      -0.3417      1.00000
      9      -0.3354      1.00000
     10       0.1889      1.00000
     11       5.7902     -0.00001
     12       6.2608      0.00000
     13       6.4557      0.00000
     14       7.0738      0.00000
     15       7.8229      0.00000
     16       7.9590      0.00000
     17       8.8321      0.00000
     18       9.3889      0.00000

 k-point  13 :       0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6611      1.00000
      2     -10.5814      1.00000
      3     -10.4216      1.00000
      4     -10.4198      1.00000
      5      -0.4583      1.00000
      6      -0.3906      1.00000
      7      -0.3823      1.00000
      8      -0.3072      1.00000
      9      -0.2957      1.00000
     10       0.5962      1.00000
     11       5.2316      0.04603
     12       5.8905      0.00000
     13       6.1427      0.00000
     14       7.2603      0.00000
     15       7.8782      0.00000
     16       7.8898      0.00000
     17       9.1829      0.00000
     18       9.6102      0.00000

 k-point  14 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6581      1.00000
      2     -10.6634      1.00000
      3     -10.4393      1.00000
      4     -10.4385      1.00000
      5      -0.3743      1.00000
      6      -0.3511      1.00000
      7      -0.3020      1.00000
      8      -0.2709      1.00000
      9      -0.2566      1.00000
     10       1.0791      1.00000
     11       4.6856      1.00685
     12       5.5719     -0.00191
     13       5.7999      0.00000
     14       7.4780      0.00000
     15       7.9066      0.00000
     16       8.0636      0.00000
     17       9.4825      0.00000
     18       9.7142      0.00000

 k-point  15 :       0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6554      1.00000
      2     -10.7350      1.00000
      3     -10.4557      1.00000
      4     -10.4546      1.00000
      5      -0.3130      1.00000
      6      -0.2884      1.00000
      7      -0.2399      1.00000
      8      -0.2275      1.00000
      9      -0.2239      1.00000
     10       1.6018      1.00000
     11       4.1706      1.00000
     12       5.3246     -0.03446
     13       5.4928     -0.00827
     14       7.6838      0.00000
     15       8.0757      0.00000
     16       8.3236      0.00000
     17       9.5552      0.00000
     18       9.6791      0.00000

 k-point  16 :       0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6534      1.00000
      2     -10.7865      1.00000
      3     -10.4688      1.00000
      4     -10.4653      1.00000
      5      -0.2770      1.00000
      6      -0.2185      1.00000
      7      -0.2149      1.00000
      8      -0.2012      1.00000
      9      -0.1794      1.00000
     10       2.1183      1.00000
     11       3.6950      1.00000
     12       5.1662      0.21855
     13       5.2612      0.00229
     14       7.8963      0.00000
     15       8.3737      0.00000
     16       8.6050      0.00000
     17       9.3127      0.00000
     18       9.5091      0.00000

 k-point  17 :       0.5000    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6524      1.00000
      2     -10.8112      1.00000
      3     -10.4759      1.00000
      4     -10.4699      1.00000
      5      -0.2549      1.00000
      6      -0.2082      1.00000
      7      -0.1971      1.00000
      8      -0.1668      1.00000
      9      -0.1635      1.00000
     10       2.5232      1.00000
     11       3.3217      1.00000
     12       5.1070      0.44898
     13       5.1304      0.35251
     14       8.1211      0.00000
     15       8.6672      0.00000
     16       8.7146      0.00000
     17       9.0831      0.00000
     18       9.1851      0.00000

 k-point  18 :      -0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6526      1.00000
      2     -10.8061      1.00000
      3     -10.4760      1.00000
      4     -10.4676      1.00000
      5      -0.2557      1.00000
      6      -0.2065      1.00000
      7      -0.2057      1.00000
      8      -0.1926      1.00000
      9      -0.1494      1.00000
     10       2.4239      1.00000
     11       3.4171      1.00000
     12       5.1156      0.41289
     13       5.1478      0.28462
     14       8.1244      0.00000
     15       8.4339      0.00000
     16       8.8173      0.00000
     17       9.0117      0.00000
     18       9.3752      0.00000

 k-point  19 :      -0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6540      1.00000
      2     -10.7719      1.00000
      3     -10.4689      1.00000
      4     -10.4588      1.00000
      5      -0.2787      1.00000
      6      -0.2516      1.00000
      7      -0.2303      1.00000
      8      -0.2116      1.00000
      9      -0.1736      1.00000
     10       1.9576      1.00000
     11       3.8498      1.00000
     12       5.2219      0.06494
     13       5.2804     -0.01585
     14       7.9530      0.00000
     15       8.0796      0.00000
     16       8.5947      0.00000
     17       9.2979      0.00000
     18       9.7805      0.00000

 k-point  20 :      -0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6562      1.00000
      2     -10.7129      1.00000
      3     -10.4558      1.00000
      4     -10.4449      1.00000
      5      -0.3314      1.00000
      6      -0.3111      1.00000
      7      -0.2645      1.00000
      8      -0.2319      1.00000
      9      -0.2309      1.00000
     10       1.4287      1.00000
     11       4.3489      1.00000
     12       5.4438     -0.01665
     13       5.4891     -0.00878
     14       7.7441      0.00000
     15       7.8490      0.00000
     16       8.2889      0.00000
     17       9.6353      0.00000
     18       9.8095      0.00000

 k-point  21 :      -0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6591      1.00000
      2     -10.6368      1.00000
      3     -10.4384      1.00000
      4     -10.4277      1.00000
      5      -0.4160      1.00000
      6      -0.3459      1.00000
      7      -0.3105      1.00000
      8      -0.3039      1.00000
      9      -0.2637      1.00000
     10       0.9098      1.00000
     11       4.8825      1.03042
     12       5.7511     -0.00002
     13       5.7680     -0.00001
     14       7.4529      0.00000
     15       7.8453      0.00000
     16       8.0181      0.00000
     17       9.3921      0.00000
     18       9.6365      0.00000

 k-point  22 :      -0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6621      1.00000
      2     -10.5542      1.00000
      3     -10.4194      1.00000
      4     -10.4100      1.00000
      5      -0.4935      1.00000
      6      -0.3976      1.00000
      7      -0.3746      1.00000
      8      -0.3431      1.00000
      9      -0.3023      1.00000
     10       0.4436      1.00000
     11       5.4368     -0.01815
     12       6.0378      0.00000
     13       6.1755      0.00000
     14       7.2178      0.00000
     15       7.8138      0.00000
     16       7.9201      0.00000
     17       9.0857      0.00000
     18       9.4106      0.00000

 k-point  23 :      -0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6648      1.00000
      2     -10.4779      1.00000
      3     -10.4014      1.00000
      4     -10.3943      1.00000
      5      -0.5514      1.00000
      6      -0.4798      1.00000
      7      -0.3951      1.00000
      8      -0.3759      1.00000
      9      -0.3416      1.00000
     10       0.0644      1.00000
     11       5.9785      0.00000
     12       6.3170      0.00000
     13       6.6361      0.00000
     14       7.0516      0.00000
     15       7.7074      0.00000
     16       8.0161      0.00000
     17       8.7315      0.00000
     18       9.1075      0.00000

 k-point  24 :      -0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.6668      1.00000
      2     -10.4209      1.00000
      3     -10.3870      1.00000
      4     -10.3833      1.00000
      5      -0.5827      1.00000
      6      -0.5456      1.00000
      7      -0.4054      1.00000
      8      -0.3966      1.00000
      9      -0.3772      1.00000
     10      -0.2007      1.00000
     11       6.4088      0.00000
     12       6.5859      0.00000
     13       6.8713      0.00000
     14       7.2051      0.00000
     15       7.7133      0.00000
     16       8.0240      0.00000
     17       8.4022      0.00000
     18       8.8778      0.00000

 k-point  25 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6653      1.00000
      2     -10.4553      1.00000
      3     -10.3977      1.00000
      4     -10.3977      1.00000
      5      -0.5841      1.00000
      6      -0.5282      1.00000
      7      -0.4415      1.00000
      8      -0.3461      1.00000
      9      -0.3461      1.00000
     10       0.0392      1.00000
     11       6.3061      0.00000
     12       6.3422      0.00000
     13       6.6242      0.00000
     14       6.6242      0.00000
     15       8.3520      0.00000
     16       8.3526      0.00000
     17       8.5271      0.00000
     18       8.6608      0.00000

 k-point  26 :       0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6635      1.00000
      2     -10.5040      1.00000
      3     -10.4108      1.00000
      4     -10.4105      1.00000
      5      -0.5606      1.00000
      6      -0.4874      1.00000
      7      -0.4486      1.00000
      8      -0.3147      1.00000
      9      -0.3130      1.00000
     10       0.3098      1.00000
     11       5.7669     -0.00001
     12       6.0742      0.00000
     13       6.5291      0.00000
     14       6.7295      0.00000
     15       8.2523      0.00000
     16       8.3703      0.00000
     17       8.8352      0.00000
     18       8.9668      0.00000

 k-point  27 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6609      1.00000
      2     -10.5704      1.00000
      3     -10.4277      1.00000
      4     -10.4272      1.00000
      5      -0.5107      1.00000
      6      -0.4398      1.00000
      7      -0.4175      1.00000
      8      -0.2815      1.00000
      9      -0.2756      1.00000
     10       0.6714      1.00000
     11       5.2138      0.08254
     12       5.7832     -0.00001
     13       6.3331      0.00000
     14       6.9295      0.00000
     15       8.1951      0.00000
     16       8.3031      0.00000
     17       9.1531      0.00000
     18       9.3312      0.00000

 k-point  28 :       0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6581      1.00000
      2     -10.6423      1.00000
      3     -10.4481      1.00000
      4     -10.4442      1.00000
      5      -0.4401      1.00000
      6      -0.4139      1.00000
      7      -0.3371      1.00000
      8      -0.2492      1.00000
      9      -0.2392      1.00000
     10       1.1030      1.00000
     11       4.6891      1.00727
     12       5.5348     -0.00399
     13       6.0580      0.00000
     14       7.1627      0.00000
     15       8.2630      0.00000
     16       8.2917      0.00000
     17       9.4369      0.00000
     18       9.5970      0.00000

 k-point  29 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6554      1.00000
      2     -10.7084      1.00000
      3     -10.4687      1.00000
      4     -10.4595      1.00000
      5      -0.3759      1.00000
      6      -0.3577      1.00000
      7      -0.2659      1.00000
      8      -0.2233      1.00000
      9      -0.2088      1.00000
     10       1.5788      1.00000
     11       4.2016      1.00000
     12       5.3498     -0.03510
     13       5.7653     -0.00001
     14       7.4061      0.00000
     15       8.3220      0.00000
     16       8.4938      0.00000
     17       9.5813      0.00000
     18       9.6655      0.00000

 k-point  30 :       0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6533      1.00000
      2     -10.7596      1.00000
      3     -10.4863      1.00000
      4     -10.4705      1.00000
      5      -0.3299      1.00000
      6      -0.2749      1.00000
      7      -0.2207      1.00000
      8      -0.2080      1.00000
      9      -0.1896      1.00000
     10       2.0705      1.00000
     11       3.7461      1.00000
     12       5.2371      0.03631
     13       5.5084     -0.00639
     14       7.6455      0.00000
     15       8.5164      0.00000
     16       8.7311      0.00000
     17       9.2546      0.00000
     18       9.3793      0.00000

 k-point  31 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6520      1.00000
      2     -10.7890      1.00000
      3     -10.4984      1.00000
      4     -10.4759      1.00000
      5      -0.2854      1.00000
      6      -0.2134      1.00000
      7      -0.2066      1.00000
      8      -0.2059      1.00000
      9      -0.1842      1.00000
     10       2.5506      1.00000
     11       3.3087      1.00000
     12       5.1895      0.14509
     13       5.3228     -0.03421
     14       7.9088      0.00000
     15       8.6971      0.00000
     16       8.7403      0.00000
     17       9.1442      0.00000
     18       9.9277      0.00000

 k-point  32 :      -0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6518      1.00000
      2     -10.7930      1.00000
      3     -10.5029      1.00000
      4     -10.4747      1.00000
      5      -0.2564      1.00000
      6      -0.2405      1.00000
      7      -0.2173      1.00000
      8      -0.1963      1.00000
      9      -0.1590      1.00000
     10       2.7684      1.00000
     11       3.1077      1.00000
     12       5.1913      0.13991
     13       5.2323      0.04477
     14       8.1965      0.00000
     15       8.3984      0.00000
     16       8.5546      0.00000
     17       9.3796      0.00000
     18       9.4919      0.00000

 k-point  33 :      -0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6528      1.00000
      2     -10.7713      1.00000
      3     -10.4992      1.00000
      4     -10.4672      1.00000
      5      -0.2978      1.00000
      6      -0.2685      1.00000
      7      -0.2199      1.00000
      8      -0.2134      1.00000
      9      -0.1497      1.00000
     10       2.3095      1.00000
     11       3.5527      1.00000
     12       5.2347      0.04047
     13       5.2505      0.01588
     14       8.0243      0.00000
     15       8.2200      0.00000
     16       8.7768      0.00000
     17       9.1149      0.00000
     18       9.6717      0.00000

 k-point  34 :      -0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6546      1.00000
      2     -10.7269      1.00000
      3     -10.4874      1.00000
      4     -10.4545      1.00000
      5      -0.3706      1.00000
      6      -0.3042      1.00000
      7      -0.2530      1.00000
      8      -0.2125      1.00000
      9      -0.1770      1.00000
     10       1.7891      1.00000
     11       4.0543      1.00000
     12       5.3218     -0.03404
     13       5.3810     -0.03061
     14       7.6783      0.00000
     15       8.1872      0.00000
     16       8.7484      0.00000
     17       9.2088      0.00000
     18       9.7831      0.00000

 k-point  35 :      -0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6572      1.00000
      2     -10.6658      1.00000
      3     -10.4689      1.00000
      4     -10.4383      1.00000
      5      -0.4440      1.00000
      6      -0.3403      1.00000
      7      -0.2908      1.00000
      8      -0.2360      1.00000
      9      -0.2281      1.00000
     10       1.2682      1.00000
     11       4.5933      1.00112
     12       5.4519     -0.01501
     13       5.6176     -0.00069
     14       7.3830      0.00000
     15       8.2284      0.00000
     16       8.4345      0.00000
     17       9.5735      0.00000
     18       9.5986      0.00000

 k-point  36 :      -0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6600      1.00000
      2     -10.5970      1.00000
      3     -10.4463      1.00000
      4     -10.4212      1.00000
      5      -0.5049      1.00000
      6      -0.3695      1.00000
      7      -0.3275      1.00000
      8      -0.3152      1.00000
      9      -0.2585      1.00000
     10       0.7852      1.00000
     11       5.1669      0.21627
     12       5.6159     -0.00072
     13       5.9444      0.00000
     14       7.1526      0.00000
     15       8.1339      0.00000
     16       8.3109      0.00000
     17       9.2284      0.00000
     18       9.4242      0.00000

 k-point  37 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.6627      1.00000
      2     -10.5309      1.00000
      3     -10.4224      1.00000
      4     -10.4058      1.00000
      5      -0.5426      1.00000
      6      -0.4012      1.00000
      7      -0.3881      1.00000
      8      -0.3577      1.00000
      9      -0.2984      1.00000
     10       0.3740      1.00000
     11       5.7459     -0.00002
     12       5.8100      0.00000
     13       6.3288      0.00000
     14       7.0046      0.00000
     15       7.9001      0.00000
     16       8.2651      0.00000
     17       9.0385      0.00000
     18       9.0973      0.00000

 k-point  38 :       0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6620      1.00000
      2     -10.5329      1.00000
      3     -10.4225      1.00000
      4     -10.4225      1.00000
      5      -0.5637      1.00000
      6      -0.4817      1.00000
      7      -0.4767      1.00000
      8      -0.2822      1.00000
      9      -0.2822      1.00000
     10       0.5433      1.00000
     11       5.4063     -0.02506
     12       6.0247      0.00000
     13       6.5556      0.00000
     14       6.5556      0.00000
     15       8.6770      0.00000
     16       8.6772      0.00000
     17       8.6888      0.00000
     18       8.9377      0.00000

 k-point  39 :       0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6599      1.00000
      2     -10.5807      1.00000
      3     -10.4386      1.00000
      4     -10.4375      1.00000
      5      -0.5386      1.00000
      6      -0.4867      1.00000
      7      -0.4432      1.00000
      8      -0.2490      1.00000
      9      -0.2478      1.00000
     10       0.8502      1.00000
     11       5.0023      0.84921
     12       5.7975      0.00000
     13       6.4980      0.00000
     14       6.6720      0.00000
     15       8.5348      0.00000
     16       8.7159      0.00000
     17       9.0613      0.00000
     18       9.2318      0.00000

 k-point  40 :       0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6574      1.00000
      2     -10.6360      1.00000
      3     -10.4599      1.00000
      4     -10.4536      1.00000
      5      -0.4887      1.00000
      6      -0.4767      1.00000
      7      -0.3825      1.00000
      8      -0.2196      1.00000
      9      -0.2152      1.00000
     10       1.2060      1.00000
     11       4.6153      1.00180
     12       5.5534     -0.00278
     13       6.3352      0.00000
     14       6.9067      0.00000
     15       8.5395      0.00000
     16       8.6710      0.00000
     17       9.3772      0.00000
     18       9.5497      0.00000

 k-point  41 :       0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6549      1.00000
      2     -10.6889      1.00000
      3     -10.4846      1.00000
      4     -10.4681      1.00000
      5      -0.4473      1.00000
      6      -0.4198      1.00000
      7      -0.3210      1.00000
      8      -0.1976      1.00000
      9      -0.1882      1.00000
     10       1.5902      1.00000
     11       4.2532      1.00000
     12       5.3790     -0.03101
     13       6.0996      0.00000
     14       7.1747      0.00000
     15       8.6636      0.00000
     16       8.6770      0.00000
     17       9.4077      0.00000
     18       9.7031      0.00000

 k-point  42 :       0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6528      1.00000
      2     -10.7314      1.00000
      3     -10.5089      1.00000
      4     -10.4791      1.00000
      5      -0.4027      1.00000
      6      -0.3404      1.00000
      7      -0.2792      1.00000
      8      -0.1868      1.00000
      9      -0.1722      1.00000
     10       1.9861      1.00000
     11       3.9101      1.00000
     12       5.2873     -0.02073
     13       5.8480      0.00000
     14       7.4275      0.00000
     15       8.7620      0.00000
     16       8.8754      0.00000
     17       9.2437      0.00000
     18       9.4100      0.00000

 k-point  43 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6514      1.00000
      2     -10.7582      1.00000
      3     -10.5287      1.00000
      4     -10.4849      1.00000
      5      -0.3494      1.00000
      6      -0.2692      1.00000
      7      -0.2622      1.00000
      8      -0.1916      1.00000
      9      -0.1688      1.00000
     10       2.3818      1.00000
     11       3.5702      1.00000
     12       5.2493      0.01745
     13       5.6269     -0.00055
     14       7.6469      0.00000
     15       8.7743      0.00000
     16       8.8510      0.00000
     17       9.2085      0.00000
     18       9.2603      0.00000

 k-point  44 :      -0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6509      1.00000
      2     -10.7663      1.00000
      3     -10.5405      1.00000
      4     -10.4846      1.00000
      5      -0.3028      1.00000
      6      -0.2866      1.00000
      7      -0.2108      1.00000
      8      -0.1978      1.00000
      9      -0.1786      1.00000
     10       2.7508      1.00000
     11       3.2337      1.00000
     12       5.2169      0.07551
     13       5.4679     -0.01207
     14       7.8948      0.00000
     15       8.4003      0.00000
     16       8.6787      0.00000
     17       9.4547      0.00000
     18       9.5928      0.00000

 k-point  45 :      -0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6515      1.00000
      2     -10.7555      1.00000
      3     -10.5415      1.00000
      4     -10.4782      1.00000
      5      -0.3429      1.00000
      6      -0.2584      1.00000
      7      -0.2341      1.00000
      8      -0.2022      1.00000
      9      -0.1558      1.00000
     10       2.6772      1.00000
     11       3.3018      1.00000
     12       5.1798      0.17416
     13       5.3911     -0.02848
     14       8.0229      0.00000
     15       8.2477      0.00000
     16       8.5923      0.00000
     17       9.5391      0.00000
     18       9.7745      0.00000

 k-point  46 :      -0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6529      1.00000
      2     -10.7284      1.00000
      3     -10.5305      1.00000
      4     -10.4668      1.00000
      5      -0.4004      1.00000
      6      -0.2857      1.00000
      7      -0.2329      1.00000
      8      -0.2182      1.00000
      9      -0.1501      1.00000
     10       2.2159      1.00000
     11       3.7336      1.00000
     12       5.1724      0.19776
     13       5.4075     -0.02478
     14       7.6867      0.00000
     15       8.6000      0.00000
     16       8.6999      0.00000
     17       9.2451      0.00000
     18       9.6628      0.00000

 k-point  47 :      -0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6550      1.00000
      2     -10.6893      1.00000
      3     -10.5083      1.00000
      4     -10.4520      1.00000
      5      -0.4541      1.00000
      6      -0.3224      1.00000
      7      -0.2682      1.00000
      8      -0.2122      1.00000
      9      -0.1790      1.00000
     10       1.7093      1.00000
     11       4.2219      1.00000
     12       5.2249      0.05880
     13       5.5170     -0.00551
     14       7.4165      0.00000
     15       8.6511      0.00000
     16       8.8492      0.00000
     17       9.1548      0.00000
     18       9.4578      0.00000

 k-point  48 :      -0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.6575      1.00000
      2     -10.6437      1.00000
      3     -10.4783      1.00000
      4     -10.4360      1.00000
      5      -0.4913      1.00000
      6      -0.3513      1.00000
      7      -0.3006      1.00000
      8      -0.2373      1.00000
      9      -0.2261      1.00000
     10       1.2186      1.00000
     11       4.7295      1.01342
     12       5.3540     -0.03476
     13       5.7065     -0.00007
     14       7.2312      0.00000
     15       8.4799      0.00000
     16       8.6058      0.00000
     17       9.2513      0.00000
     18       9.6070      0.00000

 k-point  49 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6582      1.00000
      2     -10.6103      1.00000
      3     -10.4511      1.00000
      4     -10.4511      1.00000
      5      -0.5386      1.00000
      6      -0.5175      1.00000
      7      -0.4413      1.00000
      8      -0.2166      1.00000
      9      -0.2166      1.00000
     10       1.0822      1.00000
     11       4.7561      1.01881
     12       5.7537     -0.00002
     13       6.5993      0.00000
     14       6.5993      0.00000
     15       8.7751      0.00000
     16       8.9725      0.00000
     17       8.9734      0.00000
     18       9.2985      0.00000

 k-point  50 :       0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6562      1.00000
      2     -10.6489      1.00000
      3     -10.4690      1.00000
      4     -10.4658      1.00000
      5      -0.5280      1.00000
      6      -0.5149      1.00000
      7      -0.4132      1.00000
      8      -0.1897      1.00000
      9      -0.1884      1.00000
     10       1.3332      1.00000
     11       4.5517      1.00042
     12       5.5827     -0.00151
     13       6.5909      0.00000
     14       6.7509      0.00000
     15       8.7649      0.00000
     16       9.0185      0.00000
     17       9.2052      0.00000
     18       9.5651      0.00000

 k-point  51 :       0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6540      1.00000
      2     -10.6860      1.00000
      3     -10.4941      1.00000
      4     -10.4793      1.00000
      5      -0.5141      1.00000
      6      -0.4663      1.00000
      7      -0.3729      1.00000
      8      -0.1697      1.00000
      9      -0.1652      1.00000
     10       1.5869      1.00000
     11       4.3887      1.00000
     12       5.4072     -0.02485
     13       6.4616      0.00000
     14       7.0110      0.00000
     15       8.8464      0.00000
     16       8.9963      0.00000
     17       9.3461      0.00000
     18       9.6510      0.00000

 k-point  52 :       0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6521      1.00000
      2     -10.7143      1.00000
      3     -10.5244      1.00000
      4     -10.4897      1.00000
      5      -0.4786      1.00000
      6      -0.4008      1.00000
      7      -0.3396      1.00000
      8      -0.1612      1.00000
      9      -0.1512      1.00000
     10       1.8438      1.00000
     11       4.2278      1.00000
     12       5.3072     -0.03040
     13       6.2525      0.00000
     14       7.2645      0.00000
     15       9.0235      0.00000
     16       9.0275      0.00000
     17       9.1641      0.00000
     18       9.3990      0.00000

 k-point  53 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6507      1.00000
      2     -10.7298      1.00000
      3     -10.5552      1.00000
      4     -10.4954      1.00000
      5      -0.4263      1.00000
      6      -0.3288      1.00000
      7      -0.3260      1.00000
      8      -0.1679      1.00000
      9      -0.1495      1.00000
     10       2.1130      1.00000
     11       4.0316      1.00000
     12       5.2729     -0.00957
     13       6.0192      0.00000
     14       7.4142      0.00000
     15       8.8201      0.00000
     16       9.0685      0.00000
     17       9.2673      0.00000
     18       9.3520      0.00000

 k-point  54 :      -0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6501      1.00000
      2     -10.7324      1.00000
      3     -10.5796      1.00000
      4     -10.4956      1.00000
      5      -0.3691      1.00000
      6      -0.3380      1.00000
      7      -0.2520      1.00000
      8      -0.1877      1.00000
      9      -0.1594      1.00000
     10       2.3946      1.00000
     11       3.7884      1.00000
     12       5.2260      0.05664
     13       5.8033      0.00000
     14       7.5186      0.00000
     15       8.4425      0.00000
     16       8.9765      0.00000
     17       9.4869      0.00000
     18       9.8080      0.00000

 k-point  55 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6503      1.00000
      2     -10.7260      1.00000
      3     -10.5897      1.00000
      4     -10.4902      1.00000
      5      -0.3787      1.00000
      6      -0.2996      1.00000
      7      -0.2189      1.00000
      8      -0.1918      1.00000
      9      -0.1791      1.00000
     10       2.6324      1.00000
     11       3.5359      1.00000
     12       5.1402      0.31384
     13       5.6312     -0.00050
     14       7.7555      0.00000
     15       8.0815      0.00000
     16       8.9686      0.00000
     17       9.6955      0.00000
     18       9.8065      0.00000

 k-point  56 :      -0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6513      1.00000
      2     -10.7167      1.00000
      3     -10.5787      1.00000
      4     -10.4801      1.00000
      5      -0.4137      1.00000
      6      -0.2588      1.00000
      7      -0.2480      1.00000
      8      -0.2081      1.00000
      9      -0.1548      1.00000
     10       2.5775      1.00000
     11       3.5216      1.00000
     12       5.0818      0.55547
     13       5.5207     -0.00515
     14       7.7761      0.00000
     15       8.1610      0.00000
     16       9.0066      0.00000
     17       9.5077      0.00000
     18       9.7967      0.00000

 k-point  57 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.6530      1.00000
      2     -10.7056      1.00000
      3     -10.5484      1.00000
      4     -10.4667      1.00000
      5      -0.4427      1.00000
      6      -0.2936      1.00000
      7      -0.2392      1.00000
      8      -0.2199      1.00000
      9      -0.1506      1.00000
     10       2.1821      1.00000
     11       3.8272      1.00000
     12       5.1046      0.45891
     13       5.4821     -0.00978
     14       7.5498      0.00000
     15       8.6550      0.00000
     16       8.9689      0.00000
     17       9.2279      0.00000
     18       9.4383      0.00000

 k-point  58 :       0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6546      1.00000
      2     -10.6739      1.00000
      3     -10.4790      1.00000
      4     -10.4790      1.00000
      5      -0.5595      1.00000
      6      -0.5156      1.00000
      7      -0.4195      1.00000
      8      -0.1636      1.00000
      9      -0.1636      1.00000
     10       1.4519      1.00000
     11       4.5503      1.00040
     12       5.5401     -0.00360
     13       6.7653      0.00000
     14       6.7653      0.00000
     15       8.8784      0.00000
     16       9.2070      0.00000
     17       9.2091      0.00000
     18       9.5795      0.00000

 k-point  59 :       0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6528      1.00000
      2     -10.6994      1.00000
      3     -10.4968      1.00000
      4     -10.4913      1.00000
      5      -0.5659      1.00000
      6      -0.4926      1.00000
      7      -0.4080      1.00000
      8      -0.1446      1.00000
      9      -0.1436      1.00000
     10       1.5613      1.00000
     11       4.6008      1.00132
     12       5.4206     -0.02175
     13       6.7977      0.00000
     14       6.9482      0.00000
     15       8.9473      0.00000
     16       9.2867      0.00000
     17       9.3357      0.00000
     18       9.6090      0.00000

 k-point  60 :       0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6512      1.00000
      2     -10.7164      1.00000
      3     -10.5250      1.00000
      4     -10.5007      1.00000
      5      -0.5459      1.00000
      6      -0.4476      1.00000
      7      -0.3909      1.00000
      8      -0.1367      1.00000
      9      -0.1318      1.00000
     10       1.6857      1.00000
     11       4.6348      1.00269
     12       5.3132     -0.03220
     13       6.6813      0.00000
     14       7.1707      0.00000
     15       9.0742      0.00000
     16       9.2226      0.00000
     17       9.3133      0.00000
     18       9.5795      0.00000

 k-point  61 :       0.5000    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6500      1.00000
      2     -10.7198      1.00000
      3     -10.5617      1.00000
      4     -10.5059      1.00000
      5      -0.5026      1.00000
      6      -0.3861      1.00000
      7      -0.3819      1.00000
      8      -0.1416      1.00000
      9      -0.1298      1.00000
     10       1.8519      1.00000
     11       4.5649      1.00058
     12       5.2803     -0.01576
     13       6.4664      0.00000
     14       7.2528      0.00000
     15       8.8752      0.00000
     16       9.3056      0.00000
     17       9.3372      0.00000
     18       9.4120      0.00000

 k-point  62 :      -0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6493      1.00000
      2     -10.7085      1.00000
      3     -10.6019      1.00000
      4     -10.5061      1.00000
      5      -0.4431      1.00000
      6      -0.3833      1.00000
      7      -0.3160      1.00000
      8      -0.1593      1.00000
      9      -0.1386      1.00000
     10       2.0719      1.00000
     11       4.3775      1.00000
     12       5.2430      0.02680
     13       6.2081      0.00000
     14       7.2261      0.00000
     15       8.5285      0.00000
     16       9.2628      0.00000
     17       9.5283      0.00000
     18       9.7779      0.00000

 k-point  63 :      -0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6493      1.00000
      2     -10.6889      1.00000
      3     -10.6345      1.00000
      4     -10.5013      1.00000
      5      -0.4050      1.00000
      6      -0.3645      1.00000
      7      -0.2466      1.00000
      8      -0.1883      1.00000
      9      -0.1572      1.00000
     10       2.3336      1.00000
     11       4.0728      1.00000
     12       5.1421      0.30652
     13       5.9452      0.00000
     14       7.3488      0.00000
     15       8.2066      0.00000
     16       9.2882      0.00000
     17       9.6477      0.00000
     18       9.9001      0.00000

 k-point  64 :      -0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.6500      1.00000
      2     -10.6955      1.00000
      3     -10.6226      1.00000
      4     -10.4922      1.00000
      5      -0.4124      1.00000
      6      -0.3023      1.00000
      7      -0.2223      1.00000
      8      -0.1888      1.00000
      9      -0.1811      1.00000
     10       2.5776      1.00000
     11       3.6937      1.00000
     12       5.0695      0.60649
     13       5.7073     -0.00007
     14       7.6861      0.00000
     15       7.9506      0.00000
     16       9.2820      0.00000
     17       9.4306      0.00000
     18       9.7886      0.00000

 k-point  65 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6515      1.00000
      2     -10.7177      1.00000
      3     -10.5023      1.00000
      4     -10.5023      1.00000
      5      -0.5949      1.00000
      6      -0.4962      1.00000
      7      -0.4235      1.00000
      8      -0.1257      1.00000
      9      -0.1257      1.00000
     10       1.5401      1.00000
     11       4.8343      1.03461
     12       5.3886     -0.02902
     13       7.0257      0.00000
     14       7.0257      0.00000
     15       8.9896      0.00000
     16       9.3721      0.00000
     17       9.4015      0.00000
     18       9.7019      0.00000

 k-point  66 :       0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6503      1.00000
      2     -10.7302      1.00000
      3     -10.5182      1.00000
      4     -10.5105      1.00000
      5      -0.5950      1.00000
      6      -0.4755      1.00000
      7      -0.4264      1.00000
      8      -0.1164      1.00000
      9      -0.1151      1.00000
     10       1.5589      1.00000
     11       5.0235      0.78185
     12       5.3139     -0.03239
     13       7.0657      0.00000
     14       7.1841      0.00000
     15       9.0601      0.00000
     16       9.3782      0.00000
     17       9.4107      0.00000
     18       9.6677      0.00000

 k-point  67 :       0.5000    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6494      1.00000
      2     -10.7302      1.00000
      3     -10.5472      1.00000
      4     -10.5148      1.00000
      5      -0.5669      1.00000
      6      -0.4347      1.00000
      7      -0.4224      1.00000
      8      -0.1192      1.00000
      9      -0.1133      1.00000
     10       1.6439      1.00000
     11       5.0456      0.70186
     12       5.3012     -0.02810
     13       6.9159      0.00000
     14       7.2131      0.00000
     15       8.9455      0.00000
     16       9.4044      0.00000
     17       9.4855      0.00000
     18       9.5362      0.00000

 k-point  68 :      -0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6489      1.00000
      2     -10.7154      1.00000
      3     -10.5868      1.00000
      4     -10.5146      1.00000
      5      -0.5156      1.00000
      6      -0.4167      1.00000
      7      -0.3785      1.00000
      8      -0.1335      1.00000
      9      -0.1205      1.00000
     10       1.8065      1.00000
     11       4.8855      1.02934
     12       5.3027     -0.02872
     13       6.6380      0.00000
     14       7.0846      0.00000
     15       8.6630      0.00000
     16       9.4778      0.00000
     17       9.5557      0.00000
     18       9.6186      0.00000

 k-point  69 :      -0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.6489      1.00000
      2     -10.6884      1.00000
      3     -10.6301      1.00000
      4     -10.5099      1.00000
      5      -0.4503      1.00000
      6      -0.4064      1.00000
      7      -0.3130      1.00000
      8      -0.1583      1.00000
      9      -0.1360      1.00000
     10       2.0425      1.00000
     11       4.5706      1.00066
     12       5.2090      0.09365
     13       6.2962      0.00000
     14       7.0980      0.00000
     15       8.4024      0.00000
     16       9.5102      0.00000
     17       9.5312      0.00000
     18       9.7047      0.00000

 k-point  70 :       0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.6495      1.00000
      2     -10.7421      1.00000
      3     -10.5175      1.00000
      4     -10.5175      1.00000
      5      -0.6182      1.00000
      6      -0.4824      1.00000
      7      -0.4451      1.00000
      8      -0.1047      1.00000
      9      -0.1047      1.00000
     10       1.4948      1.00000
     11       5.2986     -0.02692
     12       5.2986     -0.02692
     13       7.2964      0.00000
     14       7.2964      0.00000
     15       9.0859      0.00000
     16       9.4650      0.00000
     17       9.5487      0.00000
     18       9.6407      0.00000

 k-point  71 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.6490      1.00000
      2     -10.7441      1.00000
      3     -10.5299      1.00000
      4     -10.5207      1.00000
      5      -0.6106      1.00000
      6      -0.4662      1.00000
      7      -0.4481      1.00000
      8      -0.1033      1.00000
      9      -0.1022      1.00000
     10       1.5115      1.00000
     11       5.2498      0.01680
     12       5.4337     -0.01882
     13       7.2774      0.00000
     14       7.3227      0.00000
     15       9.0453      0.00000
     16       9.4936      0.00000
     17       9.5611      0.00000
     18       9.6769      0.00000

 k-point  72 :      -0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.6487      1.00000
      2     -10.7337      1.00000
      3     -10.5554      1.00000
      4     -10.5197      1.00000
      5      -0.5743      1.00000
      6      -0.4381      1.00000
      7      -0.4303      1.00000
      8      -0.1138      1.00000
      9      -0.1081      1.00000
     10       1.6161      1.00000
     11       5.1492      0.27947
     12       5.4183     -0.02228
     13       7.0260      0.00000
     14       7.1609      0.00000
     15       8.8496      0.00000
     16       9.5666      0.00000
     17       9.6011      0.00000
     18       9.6362      0.00000

 k-point  73 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation
      1     -30.6488      1.00000
      2     -10.7498      1.00000
      3     -10.5228      1.00000
      4     -10.5228      1.00000
      5      -0.6261      1.00000
      6      -0.4775      1.00000
      7      -0.4573      1.00000
      8      -0.0976      1.00000
      9      -0.0976      1.00000
     10       1.4661      1.00000
     11       5.2690     -0.00595
     12       5.5237     -0.00489
     13       7.4223      0.00000
     14       7.4224      0.00000
     15       9.1259      0.00000
     16       9.4920      0.00000
     17       9.6135      0.00000
     18       9.6233      0.00000

 k-point  74 :       0.1875    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6646      1.00000
      2     -10.4780      1.00000
      3     -10.4042      1.00000
      4     -10.3977      1.00000
      5      -0.5655      1.00000
      6      -0.4896      1.00000
      7      -0.4242      1.00000
      8      -0.3522      1.00000
      9      -0.3328      1.00000
     10       0.1140      1.00000
     11       6.1068      0.00000
     12       6.1196      0.00000
     13       6.6463      0.00000
     14       6.8319      0.00000
     15       7.9406      0.00000
     16       8.2367      0.00000
     17       8.7479      0.00000
     18       8.9668      0.00000

 k-point  75 :       0.2500    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6622      1.00000
      2     -10.5418      1.00000
      3     -10.4232      1.00000
      4     -10.4114      1.00000
      5      -0.5301      1.00000
      6      -0.4157      1.00000
      7      -0.4127      1.00000
      8      -0.3238      1.00000
      9      -0.2928      1.00000
     10       0.4552      1.00000
     11       5.5326     -0.00415
     12       5.8708      0.00000
     13       6.3354      0.00000
     14       6.9820      0.00000
     15       7.9903      0.00000
     16       8.2470      0.00000
     17       9.0415      0.00000
     18       9.5340      0.00000

 k-point  76 :       0.3125    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6594      1.00000
      2     -10.6157      1.00000
      3     -10.4438      1.00000
      4     -10.4283      1.00000
      5      -0.4704      1.00000
      6      -0.3908      1.00000
      7      -0.3286      1.00000
      8      -0.2905      1.00000
      9      -0.2551      1.00000
     10       0.8844      1.00000
     11       4.9617      0.94742
     12       5.6291     -0.00052
     13       5.9954      0.00000
     14       7.1941      0.00000
     15       8.1378      0.00000
     16       8.1870      0.00000
     17       9.3236      0.00000
     18       9.5861      0.00000

 k-point  77 :       0.3750    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6566      1.00000
      2     -10.6879      1.00000
      3     -10.4634      1.00000
      4     -10.4457      1.00000
      5      -0.3941      1.00000
      6      -0.3556      1.00000
      7      -0.2556      1.00000
      8      -0.2496      1.00000
      9      -0.2247      1.00000
     10       1.3737      1.00000
     11       4.4229      1.00001
     12       5.4176     -0.02244
     13       5.6878     -0.00011
     14       7.4447      0.00000
     15       8.1362      0.00000
     16       8.4026      0.00000
     17       9.5379      0.00000
     18       9.7013      0.00000

 k-point  78 :       0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6541      1.00000
      2     -10.7476      1.00000
      3     -10.4795      1.00000
      4     -10.4607      1.00000
      5      -0.3187      1.00000
      6      -0.3096      1.00000
      7      -0.2266      1.00000
      8      -0.2070      1.00000
      9      -0.1915      1.00000
     10       1.8892      1.00000
     11       3.9204      1.00000
     12       5.2631      0.00017
     13       5.4419     -0.01706
     14       7.7057      0.00000
     15       8.2246      0.00000
     16       8.6922      0.00000
     17       9.2790      0.00000
     18       9.7033      0.00000

 k-point  79 :       0.5000    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6525      1.00000
      2     -10.7869      1.00000
      3     -10.4900      1.00000
      4     -10.4708      1.00000
      5      -0.2762      1.00000
      6      -0.2435      1.00000
      7      -0.2147      1.00000
      8      -0.1964      1.00000
      9      -0.1655      1.00000
     10       2.3918      1.00000
     11       3.4521      1.00000
     12       5.1817      0.16821
     13       5.2744     -0.01097
     14       7.9606      0.00000
     15       8.4267      0.00000
     16       8.8536      0.00000
     17       9.0171      0.00000
     18       9.5327      0.00000

 k-point  80 :      -0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.6520      1.00000
      2     -10.8006      1.00000
      3     -10.4936      1.00000
      4     -10.4744      1.00000
      5      -0.2558      1.00000
      6      -0.2196      1.00000
      7      -0.2089      1.00000
      8      -0.1910      1.00000
      9      -0.1643      1.00000
     10       2.7354      1.00000
     11       3.1252      1.00000
     12       5.1690      0.20895
     13       5.2033      0.10763
     14       8.1562      0.00000
     15       8.4279      0.00000
     16       8.8501      0.00000
     17       8.9852      0.00000
     18       9.5484      0.00000

 k-point  81 :       0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6615      1.00000
      2     -10.5509      1.00000
      3     -10.4295      1.00000
      4     -10.4217      1.00000
      5      -0.5438      1.00000
      6      -0.4571      1.00000
      7      -0.4418      1.00000
      8      -0.2870      1.00000
      9      -0.2742      1.00000
     10       0.6076      1.00000
     11       5.3284     -0.03491
     12       5.8411      0.00000
     13       6.4563      0.00000
     14       6.7535      0.00000
     15       8.2801      0.00000
     16       8.5737      0.00000
     17       9.0357      0.00000
     18       9.0891      0.00000

 k-point  82 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6589      1.00000
      2     -10.6093      1.00000
      3     -10.4516      1.00000
      4     -10.4371      1.00000
      5      -0.5062      1.00000
      6      -0.4482      1.00000
      7      -0.3702      1.00000
      8      -0.2566      1.00000
      9      -0.2378      1.00000
     10       0.9800      1.00000
     11       4.8674      1.03415
     12       5.5951     -0.00115
     13       6.2460      0.00000
     14       6.9363      0.00000
     15       8.3631      0.00000
     16       8.5817      0.00000
     17       9.2687      0.00000
     18       9.3938      0.00000

 k-point  83 :       0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6563      1.00000
      2     -10.6691      1.00000
      3     -10.4746      1.00000
      4     -10.4539      1.00000
      5      -0.4475      1.00000
      6      -0.4211      1.00000
      7      -0.2961      1.00000
      8      -0.2265      1.00000
      9      -0.2093      1.00000
     10       1.4040      1.00000
     11       4.4189      1.00001
     12       5.4035     -0.02571
     13       5.9836      0.00000
     14       7.1816      0.00000
     15       8.5222      0.00000
     16       8.5609      0.00000
     17       9.4495      0.00000
     18       9.6062      0.00000

 k-point  84 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6539      1.00000
      2     -10.7213      1.00000
      3     -10.4959      1.00000
      4     -10.4688      1.00000
      5      -0.3842      1.00000
      6      -0.3720      1.00000
      7      -0.2396      1.00000
      8      -0.2048      1.00000
      9      -0.1911      1.00000
     10       1.8548      1.00000
     11       3.9940      1.00000
     12       5.2851     -0.01928
     13       5.7309     -0.00003
     14       7.4471      0.00000
     15       8.5400      0.00000
     16       8.8140      0.00000
     17       9.2117      0.00000
     18       9.6388      0.00000

 k-point  85 :       0.5000    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6522      1.00000
      2     -10.7586      1.00000
      3     -10.5128      1.00000
      4     -10.4791      1.00000
      5      -0.3339      1.00000
      6      -0.3034      1.00000
      7      -0.2123      1.00000
      8      -0.2017      1.00000
      9      -0.1778      1.00000
     10       2.3088      1.00000
     11       3.5869      1.00000
     12       5.2339      0.04197
     13       5.5269     -0.00461
     14       7.7028      0.00000
     15       8.6344      0.00000
     16       8.8628      0.00000
     17       9.0936      0.00000
     18       9.6027      0.00000

 k-point  86 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6513      1.00000
      2     -10.7762      1.00000
      3     -10.5229      1.00000
      4     -10.4831      1.00000
      5      -0.2865      1.00000
      6      -0.2666      1.00000
      7      -0.2220      1.00000
      8      -0.1948      1.00000
      9      -0.1737      1.00000
     10       2.7473      1.00000
     11       3.1833      1.00000
     12       5.2183      0.07260
     13       5.3967     -0.02725
     14       7.9662      0.00000
     15       8.3906      0.00000
     16       8.8848      0.00000
     17       9.0576      0.00000
     18       9.5390      0.00000

 k-point  87 :      -0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6515      1.00000
      2     -10.7721      1.00000
      3     -10.5243      1.00000
      4     -10.4802      1.00000
      5      -0.2965      1.00000
      6      -0.2667      1.00000
      7      -0.2339      1.00000
      8      -0.1851      1.00000
      9      -0.1687      1.00000
     10       2.7210      1.00000
     11       3.2113      1.00000
     12       5.2084      0.09525
     13       5.3579     -0.03435
     14       8.0694      0.00000
     15       8.3049      0.00000
     16       8.6422      0.00000
     17       9.3126      0.00000
     18       9.6763      0.00000

 k-point  88 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6527      1.00000
      2     -10.7470      1.00000
      3     -10.5164      1.00000
      4     -10.4710      1.00000
      5      -0.3553      1.00000
      6      -0.3043      1.00000
      7      -0.2169      1.00000
      8      -0.2032      1.00000
      9      -0.1658      1.00000
     10       2.2527      1.00000
     11       3.6530      1.00000
     12       5.2133      0.08367
     13       5.4178     -0.02241
     14       7.7648      0.00000
     15       8.4866      0.00000
     16       8.7449      0.00000
     17       9.1660      0.00000
     18       9.6640      0.00000

 k-point  89 :      -0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6547      1.00000
      2     -10.7047      1.00000
      3     -10.4998      1.00000
      4     -10.4572      1.00000
      5      -0.4213      1.00000
      6      -0.3468      1.00000
      7      -0.2364      1.00000
      8      -0.2088      1.00000
      9      -0.1950      1.00000
     10       1.7565      1.00000
     11       4.1228      1.00000
     12       5.2668     -0.00373
     13       5.5688     -0.00203
     14       7.4687      0.00000
     15       8.4910      0.00000
     16       8.8263      0.00000
     17       9.1780      0.00000
     18       9.6883      0.00000

 k-point  90 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6572      1.00000
      2     -10.6511      1.00000
      3     -10.4763      1.00000
      4     -10.4408      1.00000
      5      -0.4791      1.00000
      6      -0.3825      1.00000
      7      -0.2688      1.00000
      8      -0.2562      1.00000
      9      -0.2220      1.00000
     10       1.2689      1.00000
     11       4.6190      1.00195
     12       5.3842     -0.02995
     13       5.7982      0.00000
     14       7.2175      0.00000
     15       8.4849      0.00000
     16       8.5630      0.00000
     17       9.3074      0.00000
     18       9.6134      0.00000

 k-point  91 :      -0.1250    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.6599      1.00000
      2     -10.5941      1.00000
      3     -10.4493      1.00000
      4     -10.4247      1.00000
      5      -0.5178      1.00000
      6      -0.4061      1.00000
      7      -0.3341      1.00000
      8      -0.2996      1.00000
      9      -0.2524      1.00000
     10       0.8248      1.00000
     11       5.1193      0.39778
     12       5.5699     -0.00199
     13       6.0786      0.00000
     14       7.0403      0.00000
     15       8.2145      0.00000
     16       8.5062      0.00000
     17       9.1625      0.00000
     18       9.3149      0.00000

 k-point  92 :       0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6578      1.00000
      2     -10.6222      1.00000
      3     -10.4587      1.00000
      4     -10.4507      1.00000
      5      -0.5191      1.00000
      6      -0.4966      1.00000
      7      -0.4059      1.00000
      8      -0.2202      1.00000
      9      -0.2148      1.00000
     10       1.1449      1.00000
     11       4.6926      1.00770
     12       5.6224     -0.00061
     13       6.4648      0.00000
     14       6.7614      0.00000
     15       8.5964      0.00000
     16       8.9030      0.00000
     17       9.1231      0.00000
     18       9.4042      0.00000

 k-point  93 :       0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6555      1.00000
      2     -10.6658      1.00000
      3     -10.4828      1.00000
      4     -10.4662      1.00000
      5      -0.4857      1.00000
      6      -0.4811      1.00000
      7      -0.3502      1.00000
      8      -0.1944      1.00000
      9      -0.1889      1.00000
     10       1.4662      1.00000
     11       4.4170      1.00001
     12       5.4280     -0.02008
     13       6.3110      0.00000
     14       6.9863      0.00000
     15       8.7237      0.00000
     16       8.9008      0.00000
     17       9.3020      0.00000
     18       9.5945      0.00000

 k-point  94 :       0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6533      1.00000
      2     -10.7037      1.00000
      3     -10.5096      1.00000
      4     -10.4806      1.00000
      5      -0.4541      1.00000
      6      -0.4262      1.00000
      7      -0.2998      1.00000
      8      -0.1798      1.00000
      9      -0.1699      1.00000
     10       1.7969      1.00000
     11       4.1623      1.00000
     12       5.2998     -0.02748
     13       6.0935      0.00000
     14       7.2579      0.00000
     15       8.8715      0.00000
     16       8.9415      0.00000
     17       9.1871      0.00000
     18       9.5340      0.00000

 k-point  95 :       0.5000    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6516      1.00000
      2     -10.7308      1.00000
      3     -10.5358      1.00000
      4     -10.4905      1.00000
      5      -0.4068      1.00000
      6      -0.3639      1.00000
      7      -0.2681      1.00000
      8      -0.1836      1.00000
      9      -0.1566      1.00000
     10       2.1265      1.00000
     11       3.9080      1.00000
     12       5.2530      0.01247
     13       5.8703      0.00000
     14       7.4955      0.00000
     15       8.8478      0.00000
     16       8.9404      0.00000
     17       9.2133      0.00000
     18       9.5056      0.00000

 k-point  96 :      -0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6506      1.00000
      2     -10.7442      1.00000
      3     -10.5563      1.00000
      4     -10.4945      1.00000
      5      -0.3531      1.00000
      6      -0.3237      1.00000
      7      -0.2428      1.00000
      8      -0.2045      1.00000
      9      -0.1547      1.00000
     10       2.4417      1.00000
     11       3.6450      1.00000
     12       5.2365      0.03741
     13       5.6837     -0.00013
     14       7.6591      0.00000
     15       8.5295      0.00000
     16       8.9951      0.00000
     17       9.1780      0.00000
     18       9.6253      0.00000

 k-point  97 :      -0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6504      1.00000
      2     -10.7439      1.00000
      3     -10.5663      1.00000
      4     -10.4921      1.00000
      5      -0.3469      1.00000
      6      -0.2907      1.00000
      7      -0.2382      1.00000
      8      -0.2000      1.00000
      9      -0.1641      1.00000
     10       2.6731      1.00000
     11       3.4252      1.00000
     12       5.1913      0.14001
     13       5.5618     -0.00235
     14       7.8446      0.00000
     15       8.2221      0.00000
     16       8.8582      0.00000
     17       9.4270      0.00000
     18       9.7868      0.00000

 k-point  98 :      -0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6512      1.00000
      2     -10.7320      1.00000
      3     -10.5621      1.00000
      4     -10.4839      1.00000
      5      -0.3875      1.00000
      6      -0.2830      1.00000
      7      -0.2430      1.00000
      8      -0.1848      1.00000
      9      -0.1679      1.00000
     10       2.5682      1.00000
     11       3.4950      1.00000
     12       5.1361      0.32986
     13       5.5133     -0.00587
     14       7.8365      0.00000
     15       8.2422      0.00000
     16       8.8409      0.00000
     17       9.5244      0.00000
     18       9.8018      0.00000

 k-point  99 :      -0.2500    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6528      1.00000
      2     -10.7112      1.00000
      3     -10.5428      1.00000
      4     -10.4711      1.00000
      5      -0.4322      1.00000
      6      -0.3241      1.00000
      7      -0.2161      1.00000
      8      -0.2106      1.00000
      9      -0.1659      1.00000
     10       2.1752      1.00000
     11       3.8244      1.00000
     12       5.1322      0.34517
     13       5.5391     -0.00368
     14       7.5606      0.00000
     15       8.6754      0.00000
     16       8.8855      0.00000
     17       9.2588      0.00000
     18       9.5147      0.00000

 k-point 100 :      -0.1875    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.6549      1.00000
      2     -10.6838      1.00000
      3     -10.5119      1.00000
      4     -10.4559      1.00000
      5      -0.4658      1.00000
      6      -0.3594      1.00000
      7      -0.2418      1.00000
      8      -0.2093      1.00000
      9      -0.1962      1.00000
     10       1.7142      1.00000
     11       4.2227      1.00000
     12       5.2128      0.08469
     13       5.6371     -0.00043
     14       7.3442      0.00000
     15       8.8373      0.00000
     16       8.8599      0.00000
     17       9.1348      0.00000
     18       9.4210      0.00000

 k-point 101 :       0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6543      1.00000
      2     -10.6790      1.00000
      3     -10.4873      1.00000
      4     -10.4801      1.00000
      5      -0.5360      1.00000
      6      -0.4958      1.00000
      7      -0.3912      1.00000
      8      -0.1660      1.00000
      9      -0.1653      1.00000
     10       1.5202      1.00000
     11       4.4766      1.00006
     12       5.4514     -0.01511
     13       6.6064      0.00000
     14       6.8947      0.00000
     15       8.8651      0.00000
     16       9.1878      0.00000
     17       9.2360      0.00000
     18       9.6573      0.00000

 k-point 102 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6524      1.00000
      2     -10.7035      1.00000
      3     -10.5129      1.00000
      4     -10.4937      1.00000
      5      -0.5195      1.00000
      6      -0.4608      1.00000
      7      -0.3578      1.00000
      8      -0.1552      1.00000
      9      -0.1457      1.00000
     10       1.7059      1.00000
     11       4.4360      1.00002
     12       5.3149     -0.03263
     13       6.4764      0.00000
     14       7.1455      0.00000
     15       9.0269      0.00000
     16       9.1384      0.00000
     17       9.2380      0.00000
     18       9.5314      0.00000

 k-point 103 :       0.5000    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6508      1.00000
      2     -10.7170      1.00000
      3     -10.5456      1.00000
      4     -10.5031      1.00000
      5      -0.4810      1.00000
      6      -0.4149      1.00000
      7      -0.3293      1.00000
      8      -0.1594      1.00000
      9      -0.1345      1.00000
     10       1.9057      1.00000
     11       4.3585      1.00000
     12       5.2519      0.01397
     13       6.2559      0.00000
     14       7.3667      0.00000
     15       8.9020      0.00000
     16       9.1825      0.00000
     17       9.2855      0.00000
     18       9.4598      0.00000

 k-point 104 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6498      1.00000
      2     -10.7176      1.00000
      3     -10.5800      1.00000
      4     -10.5068      1.00000
      5      -0.4269      1.00000
      6      -0.3794      1.00000
      7      -0.2988      1.00000
      8      -0.1791      1.00000
      9      -0.1335      1.00000
     10       2.1317      1.00000
     11       4.2006      1.00000
     12       5.2388      0.03353
     13       6.0147      0.00000
     14       7.4469      0.00000
     15       8.6359      0.00000
     16       9.1944      0.00000
     17       9.2950      0.00000
     18       9.7451      0.00000

 k-point 105 :      -0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6495      1.00000
      2     -10.7089      1.00000
      3     -10.6069      1.00000
      4     -10.5046      1.00000
      5      -0.3904      1.00000
      6      -0.3538      1.00000
      7      -0.2486      1.00000
      8      -0.2112      1.00000
      9      -0.1428      1.00000
     10       2.3729      1.00000
     11       3.9667      1.00000
     12       5.1798      0.17433
     13       5.8197      0.00000
     14       7.5192      0.00000
     15       8.3122      0.00000
     16       9.1514      0.00000
     17       9.5190      0.00000
     18       9.8577      0.00000

 k-point 106 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6500      1.00000
      2     -10.7036      1.00000
      3     -10.6105      1.00000
      4     -10.4969      1.00000
      5      -0.4067      1.00000
      6      -0.2955      1.00000
      7      -0.2504      1.00000
      8      -0.1983      1.00000
      9      -0.1610      1.00000
     10       2.5630      1.00000
     11       3.7072      1.00000
     12       5.0915      0.51463
     13       5.6827     -0.00013
     14       7.7606      0.00000
     15       7.9967      0.00000
     16       9.1778      0.00000
     17       9.5289      0.00000
     18       9.8215      0.00000

 k-point 107 :      -0.2500    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.6511      1.00000
      2     -10.7083      1.00000
      3     -10.5841      1.00000
      4     -10.4851      1.00000
      5      -0.4253      1.00000
      6      -0.2905      1.00000
      7      -0.2453      1.00000
      8      -0.1855      1.00000
      9      -0.1675      1.00000
     10       2.5138      1.00000
     11       3.6275      1.00000
     12       5.0664      0.61927
     13       5.5851     -0.00144
     14       7.7328      0.00000
     15       8.1828      0.00000
     16       9.1592      0.00000
     17       9.3769      0.00000
     18       9.8272      0.00000

 k-point 108 :       0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6513      1.00000
      2     -10.7163      1.00000
      3     -10.5110      1.00000
      4     -10.5054      1.00000
      5      -0.5694      1.00000
      6      -0.4763      1.00000
      7      -0.4018      1.00000
      8      -0.1334      1.00000
      9      -0.1264      1.00000
     10       1.6136      1.00000
     11       4.7493      1.01735
     12       5.3279     -0.03486
     13       6.8150      0.00000
     14       7.1332      0.00000
     15       9.0373      0.00000
     16       9.2713      0.00000
     17       9.3803      0.00000
     18       9.5075      0.00000

 k-point 109 :       0.5000    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6501      1.00000
      2     -10.7227      1.00000
      3     -10.5379      1.00000
      4     -10.5148      1.00000
      5      -0.5458      1.00000
      6      -0.4496      1.00000
      7      -0.3843      1.00000
      8      -0.1359      1.00000
      9      -0.1162      1.00000
     10       1.7081      1.00000
     11       4.8374      1.03490
     12       5.2495      0.01720
     13       6.6237      0.00000
     14       7.3462      0.00000
     15       8.9452      0.00000
     16       9.3439      0.00000
     17       9.3850      0.00000
     18       9.6670      0.00000

 k-point 110 :      -0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6492      1.00000
      2     -10.7147      1.00000
      3     -10.5762      1.00000
      4     -10.5179      1.00000
      5      -0.4993      1.00000
      6      -0.4235      1.00000
      7      -0.3542      1.00000
      8      -0.1521      1.00000
      9      -0.1151      1.00000
     10       1.8636      1.00000
     11       4.7612      1.01993
     12       5.2516      0.01426
     13       6.3209      0.00000
     14       7.3970      0.00000
     15       8.7343      0.00000
     16       9.3862      0.00000
     17       9.4822      0.00000
     18       9.6998      0.00000

 k-point 111 :      -0.3750    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6489      1.00000
      2     -10.6919      1.00000
      3     -10.6203      1.00000
      4     -10.5154      1.00000
      5      -0.4403      1.00000
      6      -0.4085      1.00000
      7      -0.3047      1.00000
      8      -0.1798      1.00000
      9      -0.1232      1.00000
     10       2.0793      1.00000
     11       4.5335      1.00026
     12       5.2074      0.09747
     13       6.0560      0.00000
     14       7.3623      0.00000
     15       8.4499      0.00000
     16       9.4074      0.00000
     17       9.5867      0.00000
     18       9.8385      0.00000

 k-point 112 :      -0.3125    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.6492      1.00000
      2     -10.6659      1.00000
      3     -10.6545      1.00000
      4     -10.5081      1.00000
      5      -0.4158      1.00000
      6      -0.3595      1.00000
      7      -0.2480      1.00000
      8      -0.2143      1.00000
      9      -0.1396      1.00000
     10       2.3333      1.00000
     11       4.1493      1.00000
     12       5.1169      0.40756
     13       5.8693      0.00000
     14       7.4656      0.00000
     15       8.1831      0.00000
     16       9.4234      0.00000
     17       9.4779      0.00000
     18       9.7372      0.00000

 k-point 113 :       0.5000    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.6494      1.00000
      2     -10.7359      1.00000
      3     -10.5266      1.00000
      4     -10.5228      1.00000
      5      -0.5916      1.00000
      6      -0.4656      1.00000
      7      -0.4261      1.00000
      8      -0.1158      1.00000
      9      -0.1047      1.00000
     10       1.5700      1.00000
     11       5.2231      0.06240
     12       5.2533      0.01209
     13       6.9580      0.00000
     14       7.3942      0.00000
     15       9.0095      0.00000
     16       9.4526      0.00000
     17       9.4785      0.00000
     18       9.7479      0.00000

 k-point 114 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.6489      1.00000
      2     -10.7292      1.00000
      3     -10.5527      1.00000
      4     -10.5261      1.00000
      5      -0.5600      1.00000
      6      -0.4527      1.00000
      7      -0.4017      1.00000
      8      -0.1285      1.00000
      9      -0.1026      1.00000
     10       1.6618      1.00000
     11       5.1429      0.30348
     12       5.3358     -0.03539
     13       6.6075      0.00000
     14       7.4926      0.00000
     15       8.8613      0.00000
     16       9.4781      0.00000
     17       9.5638      0.00000
     18       9.8714      0.00000

 k-point 115 :      -0.3750    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.6487      1.00000
      2     -10.7106      1.00000
      3     -10.5894      1.00000
      4     -10.5230      1.00000
      5      -0.5057      1.00000
      6      -0.4351      1.00000
      7      -0.3589      1.00000
      8      -0.1504      1.00000
      9      -0.1089      1.00000
     10       1.8352      1.00000
     11       4.9516      0.96553
     12       5.2973     -0.02633
     13       6.2706      0.00000
     14       7.4078      0.00000
     15       8.6457      0.00000
     16       9.5481      0.00000
     17       9.5868      0.00000
     18       9.6737      0.00000

 k-point 116 :      -0.4375    0.5000    0.0625
  band No.  band energies     occupation
      1     -30.6488      1.00000
      2     -10.7417      1.00000
      3     -10.5320      1.00000
      4     -10.5290      1.00000
      5      -0.5996      1.00000
      6      -0.4652      1.00000
      7      -0.4362      1.00000
      8      -0.1109      1.00000
      9      -0.0985      1.00000
     10       1.5418      1.00000
     11       5.2281      0.05250
     12       5.4680     -0.01204
     13       6.9754      0.00000
     14       7.5185      0.00000
     15       8.9919      0.00000
     16       9.4907      0.00000
     17       9.5795      0.00000
     18       9.6246      0.00000

 k-point 117 :       0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6566      1.00000
      2     -10.6513      1.00000
      3     -10.4802      1.00000
      4     -10.4513      1.00000
      5      -0.4909      1.00000
      6      -0.4386      1.00000
      7      -0.3023      1.00000
      8      -0.2296      1.00000
      9      -0.2085      1.00000
     10       1.3494      1.00000
     11       4.5173      1.00017
     12       5.3967     -0.02725
     13       6.0641      0.00000
     14       7.0667      0.00000
     15       8.6025      0.00000
     16       8.8217      0.00000
     17       9.2106      0.00000
     18       9.5500      0.00000

 k-point 118 :       0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6543      1.00000
      2     -10.6908      1.00000
      3     -10.5089      1.00000
      4     -10.4674      1.00000
      5      -0.4549      1.00000
      6      -0.4109      1.00000
      7      -0.2444      1.00000
      8      -0.2031      1.00000
      9      -0.1942      1.00000
     10       1.7516      1.00000
     11       4.1725      1.00000
     12       5.2534      0.01198
     13       5.8606      0.00000
     14       7.2894      0.00000
     15       8.8359      0.00000
     16       8.9114      0.00000
     17       9.1567      0.00000
     18       9.5835      0.00000

 k-point 119 :       0.5000    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6523      1.00000
      2     -10.7226      1.00000
      3     -10.5332      1.00000
      4     -10.4819      1.00000
      5      -0.4051      1.00000
      6      -0.3681      1.00000
      7      -0.2136      1.00000
      8      -0.1988      1.00000
      9      -0.1771      1.00000
     10       2.1541      1.00000
     11       3.8402      1.00000
     12       5.1939      0.13274
     13       5.6872     -0.00012
     14       7.5576      0.00000
     15       8.7471      0.00000
     16       8.8233      0.00000
     17       9.2250      0.00000
     18       9.5916      0.00000

 k-point 120 :      -0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6510      1.00000
      2     -10.7433      1.00000
      3     -10.5494      1.00000
      4     -10.4919      1.00000
      5      -0.3550      1.00000
      6      -0.3176      1.00000
      7      -0.2287      1.00000
      8      -0.2024      1.00000
      9      -0.1608      1.00000
     10       2.5096      1.00000
     11       3.5416      1.00000
     12       5.2002      0.11571
     13       5.5708     -0.00195
     14       7.7975      0.00000
     15       8.4145      0.00000
     16       8.8608      0.00000
     17       9.3638      0.00000
     18       9.8832      0.00000

 k-point 121 :      -0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.6505      1.00000
      2     -10.7504      1.00000
      3     -10.5551      1.00000
      4     -10.4955      1.00000
      5      -0.3297      1.00000
      6      -0.2770      1.00000
      7      -0.2578      1.00000
      8      -0.2079      1.00000
      9      -0.1546      1.00000
     10       2.6883      1.00000
     11       3.3847      1.00000
     12       5.2151      0.07957
     13       5.5290     -0.00443
     14       7.8985      0.00000
     15       8.2763      0.00000
     16       9.0177      0.00000
     17       9.1058      0.00000
     18       9.8525      0.00000

 k-point 122 :       0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6535      1.00000
      2     -10.6917      1.00000
      3     -10.5105      1.00000
      4     -10.4818      1.00000
      5      -0.4719      1.00000
      6      -0.4677      1.00000
      7      -0.3034      1.00000
      8      -0.1767      1.00000
      9      -0.1703      1.00000
     10       1.7364      1.00000
     11       4.2719      1.00000
     12       5.2793     -0.01498
     13       6.1866      0.00000
     14       7.1781      0.00000
     15       8.9831      0.00000
     16       9.1061      0.00000
     17       9.1484      0.00000
     18       9.6555      0.00000

 k-point 123 :       0.5000    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6517      1.00000
      2     -10.7095      1.00000
      3     -10.5400      1.00000
      4     -10.4970      1.00000
      5      -0.4415      1.00000
      6      -0.4345      1.00000
      7      -0.2688      1.00000
      8      -0.1818      1.00000
      9      -0.1501      1.00000
     10       2.0020      1.00000
     11       4.1457      1.00000
     12       5.1860      0.15535
     13       6.0061      0.00000
     14       7.4353      0.00000
     15       8.7861      0.00000
     16       9.1264      0.00000
     17       9.2801      0.00000
     18       9.5454      0.00000

 k-point 124 :      -0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6504      1.00000
      2     -10.7176      1.00000
      3     -10.5677      1.00000
      4     -10.5077      1.00000
      5      -0.4058      1.00000
      6      -0.3857      1.00000
      7      -0.2535      1.00000
      8      -0.2056      1.00000
      9      -0.1372      1.00000
     10       2.2481      1.00000
     11       4.0023      1.00000
     12       5.1773      0.18203
     13       5.8176      0.00000
     14       7.6461      0.00000
     15       8.5197      0.00000
     16       9.1132      0.00000
     17       9.3509      0.00000
     18       9.7677      0.00000

 k-point 125 :      -0.3750    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6497      1.00000
      2     -10.7179      1.00000
      3     -10.5873      1.00000
      4     -10.5113      1.00000
      5      -0.3836      1.00000
      6      -0.3297      1.00000
      7      -0.2476      1.00000
      8      -0.2388      1.00000
      9      -0.1339      1.00000
     10       2.4433      1.00000
     11       3.8514      1.00000
     12       5.1903      0.14272
     13       5.6792     -0.00014
     14       7.7273      0.00000
     15       8.3877      0.00000
     16       9.1621      0.00000
     17       9.3214      0.00000
     18       9.8261      0.00000

 k-point 126 :      -0.3125    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6499      1.00000
      2     -10.7149      1.00000
      3     -10.5907      1.00000
      4     -10.5075      1.00000
      5      -0.3929      1.00000
      6      -0.2939      1.00000
      7      -0.2739      1.00000
      8      -0.2200      1.00000
      9      -0.1402      1.00000
     10       2.5161      1.00000
     11       3.7578      1.00000
     12       5.1465      0.28942
     13       5.6463     -0.00034
     14       7.8149      0.00000
     15       8.2026      0.00000
     16       9.0990      0.00000
     17       9.4060      0.00000
     18       9.9057      0.00000

 k-point 127 :      -0.2500    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6508      1.00000
      2     -10.7116      1.00000
      3     -10.5748      1.00000
      4     -10.4973      1.00000
      5      -0.4202      1.00000
      6      -0.3415      1.00000
      7      -0.2314      1.00000
      8      -0.2016      1.00000
      9      -0.1556      1.00000
     10       2.3902      1.00000
     11       3.7992      1.00000
     12       5.1024      0.46838
     13       5.6854     -0.00012
     14       7.7217      0.00000
     15       8.3031      0.00000
     16       9.1171      0.00000
     17       9.4495      0.00000
     18       9.7300      0.00000

 k-point 128 :      -0.1875    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.6524      1.00000
      2     -10.7047      1.00000
      3     -10.5447      1.00000
      4     -10.4830      1.00000
      5      -0.4448      1.00000
      6      -0.3832      1.00000
      7      -0.2145      1.00000
      8      -0.1976      1.00000
      9      -0.1776      1.00000
     10       2.1031      1.00000
     11       3.9575      1.00000
     12       5.1363      0.32904
     13       5.7581     -0.00001
     14       7.4787      0.00000
     15       8.7093      0.00000
     16       9.0932      0.00000
     17       9.2532      0.00000
     18       9.4731      0.00000

 k-point 129 :       0.5000    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6509      1.00000
      2     -10.7123      1.00000
      3     -10.5357      1.00000
      4     -10.5116      1.00000
      5      -0.5004      1.00000
      6      -0.4529      1.00000
      7      -0.3302      1.00000
      8      -0.1589      1.00000
      9      -0.1287      1.00000
     10       1.8379      1.00000
     11       4.5124      1.00015
     12       5.2029      0.10867
     13       6.3183      0.00000
     14       7.3902      0.00000
     15       8.8511      0.00000
     16       9.3165      0.00000
     17       9.3215      0.00000
     18       9.4726      0.00000

 k-point 130 :      -0.4375    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6497      1.00000
      2     -10.7095      1.00000
      3     -10.5667      1.00000
      4     -10.5239      1.00000
      5      -0.4601      1.00000
      6      -0.4357      1.00000
      7      -0.3065      1.00000
      8      -0.1797      1.00000
      9      -0.1174      1.00000
     10       1.9974      1.00000
     11       4.5262      1.00022
     12       5.1575      0.24899
     13       6.0400      0.00000
     14       7.6246      0.00000
     15       8.6283      0.00000
     16       9.3309      0.00000
     17       9.3946      0.00000
     18       9.6581      0.00000

 k-point 131 :      -0.3750    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6491      1.00000
      2     -10.6952      1.00000
      3     -10.6030      1.00000
      4     -10.5272      1.00000
      5      -0.4257      1.00000
      6      -0.3990      1.00000
      7      -0.2836      1.00000
      8      -0.2139      1.00000
      9      -0.1152      1.00000
     10       2.1798      1.00000
     11       4.4120      1.00001
     12       5.1745      0.19101
     13       5.7722     -0.00001
     14       7.7069      0.00000
     15       8.5076      0.00000
     16       9.3223      0.00000
     17       9.4233      0.00000
     18       9.8729      0.00000

 k-point 132 :      -0.3125    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6491      1.00000
      2     -10.6785      1.00000
      3     -10.6300      1.00000
      4     -10.5227      1.00000
      5      -0.4207      1.00000
      6      -0.3370      1.00000
      7      -0.2575      1.00000
      8      -0.2526      1.00000
      9      -0.1213      1.00000
     10       2.3543      1.00000
     11       4.1906      1.00000
     12       5.1243      0.37701
     13       5.6771     -0.00015
     14       7.7633      0.00000
     15       8.2528      0.00000
     16       9.3413      0.00000
     17       9.4933      0.00000
     18       9.7694      0.00000

 k-point 133 :      -0.2500    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.6497      1.00000
      2     -10.6909      1.00000
      3     -10.6137      1.00000
      4     -10.5119      1.00000
      5      -0.4233      1.00000
      6      -0.3025      1.00000
      7      -0.2777      1.00000
      8      -0.2213      1.00000
      9      -0.1359      1.00000
     10       2.4551      1.00000
     11       3.9371      1.00000
     12       5.0714      0.59881
     13       5.6864     -0.00012
     14       7.9534      0.00000
     15       7.9569      0.00000
     16       9.3500      0.00000
     17       9.4650      0.00000
     18       9.7859      0.00000

 k-point 134 :      -0.4375    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.6492      1.00000
      2     -10.7181      1.00000
      3     -10.5522      1.00000
      4     -10.5347      1.00000
      5      -0.5192      1.00000
      6      -0.4534      1.00000
      7      -0.3579      1.00000
      8      -0.1526      1.00000
      9      -0.1051      1.00000
     10       1.7938      1.00000
     11       5.0090      0.82912
     12       5.1588      0.24421
     13       6.2583      0.00000
     14       7.6390      0.00000
     15       8.7673      0.00000
     16       9.4458      0.00000
     17       9.4665      0.00000
     18       9.7019      0.00000

 k-point 135 :      -0.3750    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.6487      1.00000
      2     -10.7016      1.00000
      3     -10.5849      1.00000
      4     -10.5400      1.00000
      5      -0.4720      1.00000
      6      -0.4478      1.00000
      7      -0.3267      1.00000
      8      -0.1809      1.00000
      9      -0.1026      1.00000
     10       1.9443      1.00000
     11       4.9534      0.96246
     12       5.1989      0.11926
     13       5.8249      0.00000
     14       7.7882      0.00000
     15       8.6580      0.00000
     16       9.5166      0.00000
     17       9.5663      0.00000
     18       9.7369      0.00000

 k-point 136 :      -0.3125    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.6487      1.00000
      2     -10.6755      1.00000
      3     -10.6259      1.00000
      4     -10.5344      1.00000
      5      -0.4402      1.00000
      6      -0.4048      1.00000
      7      -0.2915      1.00000
      8      -0.2182      1.00000
      9      -0.1085      1.00000
     10       2.1425      1.00000
     11       4.6594      1.00433
     12       5.1680      0.21242
     13       5.6565     -0.00026
     14       7.7768      0.00000
     15       8.4487      0.00000
     16       9.5033      0.00000
     17       9.6154      0.00000
     18       9.6966      0.00000

 k-point 137 :      -0.3750    0.5000    0.1250
  band No.  band energies     occupation
      1     -30.6486      1.00000
      2     -10.7183      1.00000
      3     -10.5580      1.00000
      4     -10.5438      1.00000
      5      -0.5258      1.00000
      6      -0.4590      1.00000
      7      -0.3671      1.00000
      8      -0.1511      1.00000
      9      -0.0980      1.00000
     10       1.7651      1.00000
     11       5.1442      0.29817
     12       5.3333     -0.03529
     13       6.0927      0.00000
     14       7.7635      0.00000
     15       8.8059      0.00000
     16       9.5432      0.00000
     17       9.5850      0.00000
     18       9.6268      0.00000

 k-point 138 :      -0.4375    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.6503      1.00000
      2     -10.7050      1.00000
      3     -10.5719      1.00000
      4     -10.5145      1.00000
      5      -0.4366      1.00000
      6      -0.4044      1.00000
      7      -0.2550      1.00000
      8      -0.2064      1.00000
      9      -0.1322      1.00000
     10       2.1847      1.00000
     11       4.1717      1.00000
     12       5.1017      0.47134
     13       5.8588      0.00000
     14       7.6882      0.00000
     15       8.4295      0.00000
     16       9.3097      0.00000
     17       9.4614      0.00000
     18       9.8148      0.00000

 k-point 139 :      -0.3750    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.6494      1.00000
      2     -10.6929      1.00000
      3     -10.6011      1.00000
      4     -10.5275      1.00000
      5      -0.4275      1.00000
      6      -0.3562      1.00000
      7      -0.2575      1.00000
      8      -0.2450      1.00000
      9      -0.1196      1.00000
     10       2.3171      1.00000
     11       4.1962      1.00000
     12       5.1038      0.46239
     13       5.6800     -0.00014
     14       7.8885      0.00000
     15       8.2846      0.00000
     16       9.3249      0.00000
     17       9.4385      0.00000
     18       9.8175      0.00000

 k-point 140 :      -0.3125    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.6491      1.00000
      2     -10.6844      1.00000
      3     -10.6154      1.00000
      4     -10.5323      1.00000
      5      -0.4223      1.00000
      6      -0.3040      1.00000
      7      -0.2991      1.00000
      8      -0.2563      1.00000
      9      -0.1148      1.00000
     10       2.3664      1.00000
     11       4.2024      1.00000
     12       5.1411      0.31011
     13       5.5789     -0.00164
     14       7.8972      0.00000
     15       8.3591      0.00000
     16       9.3321      0.00000
     17       9.3571      0.00000
     18       9.8374      0.00000

 k-point 141 :      -0.3750    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.6490      1.00000
      2     -10.6919      1.00000
      3     -10.5898      1.00000
      4     -10.5444      1.00000
      5      -0.4459      1.00000
      6      -0.4189      1.00000
      7      -0.2910      1.00000
      8      -0.2152      1.00000
      9      -0.1064      1.00000
     10       2.1147      1.00000
     11       4.6779      1.00601
     12       5.0883      0.52786
     13       5.6871     -0.00012
     14       7.9385      0.00000
     15       8.4801      0.00000
     16       9.4476      0.00000
     17       9.6585      0.00000
     18       9.7550      0.00000

 k-point 142 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.6486      1.00000
      2     -10.6665      1.00000
      3     -10.6214      1.00000
      4     -10.5516      1.00000
      5      -0.4468      1.00000
      6      -0.3642      1.00000
      7      -0.2789      1.00000
      8      -0.2620      1.00000
      9      -0.1025      1.00000
     10       2.2314      1.00000
     11       4.6730      1.00553
     12       5.1178      0.40377
     13       5.4028     -0.02586
     14       8.0945      0.00000
     15       8.4387      0.00000
     16       9.4265      0.00000
     17       9.4911      0.00000
     18       9.7226      0.00000

 k-point 143 :      -0.2500    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.6488      1.00000
      2     -10.6605      1.00000
      3     -10.6332      1.00000
      4     -10.5442      1.00000
      5      -0.4411      1.00000
      6      -0.3115      1.00000
      7      -0.3044      1.00000
      8      -0.2649      1.00000
      9      -0.1073      1.00000
     10       2.3096      1.00000
     11       4.4603      1.00003
     12       5.0887      0.52613
     13       5.4820     -0.00979
     14       8.1472      0.00000
     15       8.2191      0.00000
     16       9.4613      0.00000
     17       9.4899      0.00000
     18       9.8171      0.00000

 k-point 144 :      -0.3125    0.5000    0.1875
  band No.  band energies     occupation
      1     -30.6485      1.00000
      2     -10.6828      1.00000
      3     -10.5961      1.00000
      4     -10.5585      1.00000
      5      -0.4558      1.00000
      6      -0.4240      1.00000
      7      -0.3025      1.00000
      8      -0.2200      1.00000
      9      -0.0979      1.00000
     10       2.0774      1.00000
     11       5.0849      0.54210
     12       5.1891      0.14621
     13       5.2818     -0.01689
     14       8.0709      0.00000
     15       8.6105      0.00000
     16       9.5119      0.00000
     17       9.5639      0.00000
     18       9.6346      0.00000

 k-point 145 :      -0.2500    0.5000    0.2500
  band No.  band energies     occupation
      1     -30.6484      1.00000
      2     -10.6400      1.00000
      3     -10.6400      1.00000
      4     -10.5646      1.00000
      5      -0.4547      1.00000
      6      -0.3151      1.00000
      7      -0.3151      1.00000
      8      -0.2783      1.00000
      9      -0.0979      1.00000
     10       2.2536      1.00000
     11       4.9268      0.99969
     12       5.0967      0.49226
     13       5.0967      0.49225
     14       8.3668      0.00000
     15       8.3669      0.00000
     16       9.4851      0.00000
     17       9.5717      0.00000
     18       9.7837      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x    18.7988    0.0000    3.4175    0.0000    1.7439    0.0000    0.3038    0.0000   -0.2161    0.0000
x    -0.0105    0.0000    0.0238    0.0000   -0.0077    0.0000    0.0012    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    18.7988    0.0000    3.4175    0.0000    1.7439    0.0000    0.3038    0.0000   -0.2161    0.0000
y    -0.0105    0.0000    0.0238    0.0000   -0.0077    0.0000    0.0012    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    18.7988    0.0000    3.4175    0.0000    1.7439    0.0000    0.3038    0.0000   -0.2161    0.0000
z    -0.0105    0.0000    0.0238    0.0000   -0.0077    0.0000    0.0012    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x    22.0000    0.0000   -2.7213    0.0000    3.5888    0.0000   -1.3360    0.0000    0.0247    0.0000
x     0.0043    0.0000    0.0134    0.0000   -0.0134    0.0000    0.0029    0.0000    0.0019    0.0000
x    -0.0001    0.0000   -0.0006    0.0000   -0.0002    0.0000    0.0001    0.0000    0.0001    0.0000
x     0.0000    0.0000   -0.0001    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    22.0000    0.0000   -2.7213    0.0000    3.5888    0.0000   -1.3360    0.0000    0.0247    0.0000
y     0.0043    0.0000    0.0134    0.0000   -0.0134    0.0000    0.0029    0.0000    0.0019    0.0000
y    -0.0001    0.0000   -0.0006    0.0000   -0.0002    0.0000    0.0001    0.0000    0.0001    0.0000
y     0.0000    0.0000   -0.0001    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    22.0000    0.0000   -2.7213    0.0000    3.5888    0.0000   -1.3360    0.0000    0.0247    0.0000
z     0.0043    0.0000    0.0134    0.0000   -0.0134    0.0000    0.0029    0.0000    0.0019    0.0000
z    -0.0001    0.0000   -0.0006    0.0000   -0.0002    0.0000    0.0001    0.0000    0.0001    0.0000
z     0.0000    0.0000   -0.0001    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000

 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0116    0.0000    0.0010    0.0000    0.0002    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0116    0.0000    0.0010    0.0000    0.0002    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0116    0.0000    0.0010    0.0000    0.0002    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0146    0.0000    0.0007    0.0000    0.0003    0.0000   -0.0002    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0146    0.0000    0.0007    0.0000    0.0003    0.0000   -0.0002    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0146    0.0000    0.0007    0.0000    0.0003    0.0000   -0.0002    0.0000    0.0000    0.0000
z    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000

 pseudopotential strength for first ion, spin component:           1
 34.020  -4.984   0.000   0.000   0.000   0.000   0.000   0.000
 -4.984  -5.634   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  10.302   0.000   0.000   0.030   0.000   0.000
  0.000   0.000   0.000  10.302   0.000   0.000   0.030   0.000
  0.000   0.000   0.000   0.000  10.302   0.000   0.000   0.030
  0.000   0.000   0.030   0.000   0.000   0.090   0.000   0.000
  0.000   0.000   0.000   0.030   0.000   0.000   0.090   0.000
  0.000   0.000   0.000   0.000   0.030   0.000   0.000   0.090
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.004   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.004   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.004   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
 34.020  -4.984   0.000   0.000   0.000   0.000   0.000   0.000
 -4.984  -5.634   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  10.301   0.000   0.000   0.030   0.000   0.000
  0.000   0.000   0.000  10.301   0.000   0.000   0.030   0.000
  0.000   0.000   0.000   0.000  10.301   0.000   0.000   0.030
  0.000   0.000   0.030   0.000   0.000   0.090   0.000   0.000
  0.000   0.000   0.000   0.030   0.000   0.000   0.090   0.000
  0.000   0.000   0.000   0.000   0.030   0.000   0.000   0.090
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.004   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.005   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.004   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  2.596  -0.964   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.964   1.559   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   2.048   0.000   0.000  -0.099   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   2.048   0.000   0.000  -0.099   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   2.048   0.000   0.000  -0.099   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.099   0.000   0.000   0.269   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.099   0.000   0.000   0.269   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.099   0.000   0.000   0.269   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.176   0.000   0.000   0.000   0.000  -0.066   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.176   0.000   0.000   0.000   0.000  -0.066   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.308   0.000   0.000   0.000   0.000  -0.145
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.176   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.308   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.066   0.000   0.000   0.000   0.000   0.030   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.066   0.000   0.000   0.000   0.000   0.030   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.145   0.000   0.000   0.000   0.000   0.077
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.066   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.145   0.000   0.000   0.000
  0.000   0.000   0.012   0.000   0.000  -0.027   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.009   0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.015   0.000   0.000   0.034   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.009   0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.012   0.000   0.000   0.027   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.008   0.000   0.000   0.035   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.006   0.000   0.000   0.027   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.011   0.000   0.000  -0.044   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.006   0.000   0.000   0.027   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.008   0.000   0.000  -0.035   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.001   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.002   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.002   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.002   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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





 total charge

# of ion     s       p       d       f       tot
------------------------------------------------
  1        2.104   5.545   0.514   0.060   8.222
  2        0.546   0.164   8.867   0.000   9.577
------------------------------------------------
tot        2.650   5.709   9.381   0.060  17.799




 magnetization (x)

# of ion     s       p       d       f       tot
------------------------------------------------
  1        0.000   0.001   0.004   0.000   0.004
  2        0.000   0.001   0.001   0.000   0.001
------------------------------------------------
tot        0.000   0.002   0.004   0.000   0.006


    CHARGE:  cpu time    4.00: real time    4.00
    FORLOC:  cpu time    0.01: real time    0.01
    FORNL :  cpu time    3.22: real time    3.22
    STRESS:  cpu time    5.84: real time    5.84
    FORCOR:  cpu time    0.36: real time    0.36
    FORHAR:  cpu time    0.04: real time    0.04
    MIXING:  cpu time    0.01: real time    0.01
    FORVDW:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   117.79184   117.79184   117.79184
  Ewald    -508.65882  -508.65882  -508.65882     0.00000     0.00000     0.00000
  Hartree   130.29840   130.29840   130.29840     0.00000     0.00000     0.00000
  E(xc)    -106.41861  -106.41861  -106.41861     0.00000     0.00000     0.00000
  Local      46.82452    46.82452    46.82452     0.00002     0.00002     0.00002
  n-local    17.80718    16.91935    20.36930    -4.99733     4.01558    -2.80817
  augment    15.18445    15.18445    15.18445     0.00004     0.00004     0.00004
  Kinetic   284.60729   287.39304   289.27931     1.50819    -3.25759     1.51487
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.48026     0.48026     0.48026     0.00000     0.00000     0.00000
  in kB      11.31528    11.31528    11.31528     0.00000     0.00000     0.00000
  external pressure =       11.32 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      249.80
  volume of cell :       68.00
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  3.239654000  3.239654000    -0.154337469  0.154337469  0.154337469
     3.239654000  0.000000000  3.239654000     0.154337469 -0.154337469  0.154337469
     3.239654000  3.239654000  0.000000000     0.154337469  0.154337469 -0.154337469

  length of vectors
     4.581562624  4.581562624  4.581562624     0.267320338  0.267320338  0.267320338


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.327E-03 -.327E-03 -.327E-03   0.697E-03 0.697E-03 0.697E-03   -.127E-20 -.127E-20 -.127E-20   -.407E-05 -.407E-05 -.407E-05
   -.171E-02 -.171E-02 -.171E-02   -.697E-03 -.697E-03 -.697E-03   0.000E+00 0.000E+00 0.000E+00   0.136E-04 0.136E-04 0.136E-04
 -----------------------------------------------------------------------------------------------
   -.203E-02 -.203E-02 -.203E-02   0.110E-14 -.139E-14 -.378E-15   -.127E-20 -.127E-20 -.127E-20   0.950E-05 0.950E-05 0.950E-05


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      3.23966      3.23966      3.23966         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.002023     -0.002023     -0.002023


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -7.13733633 eV

  energy  without entropy=       -7.12751877  energy(sigma->0) =       -7.13406381



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


    POTLOK:  cpu time    0.44: real time    0.44


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




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


    WAVPRE:  cpu time    0.04: real time    0.04
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.05: real time    0.05
    ORTHCH:  cpu time    0.63: real time    0.63
     LOOP+:  cpu time  524.95: real time  525.68


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


    POTLOK:  cpu time    0.36: real time    0.36
    SETDIJ:  cpu time    0.07: real time    0.07
     EDDAV:  cpu time   38.60: real time   38.62
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.99: real time    3.99
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   43.06: real time   43.09

 eigenvalue-minimisations  : 13308
 total energy-change (2. order) :-0.2638640E+00  (-0.5047496E+00)
 number of electron      22.0000031 magnetization       0.0267326
 augmentation part        3.3880270 magnetization       0.0014735

 Broyden mixing:
  rms(total) = 0.27855E+00    rms(broyden)= 0.27846E+00
  rms(prec ) = 0.72282E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -386.39107533
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.33025962
  PAW double counting   =      1370.95209403    -1265.35231258
  entropy T*S    EENTRO =        -0.00984191
  eigenvalues    EBANDS =      -133.23787678
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.40119499 eV

  energy without entropy =       -7.39135308  energy(sigma->0) =       -7.39791435


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




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


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.45: real time    7.45
  RMM-DIIS:  cpu time   31.75: real time   31.77
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.96: real time    3.96
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   43.93: real time   43.95

 eigenvalue-minimisations  : 11033
 total energy-change (2. order) : 0.2296007E+00  (-0.1097221E+00)
 number of electron      22.0000030 magnetization       0.0345052
 augmentation part        3.1914962 magnetization       0.0020316

 Broyden mixing:
  rms(total) = 0.63509E-01    rms(broyden)= 0.63412E-01
  rms(prec ) = 0.18214E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0488
  1.0488

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -397.27636560
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.04078448
  PAW double counting   =      1385.10290417    -1279.66163160
  entropy T*S    EENTRO =        -0.00985226
  eigenvalues    EBANDS =      -122.25394169
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.17159426 eV

  energy without entropy =       -7.16174200  energy(sigma->0) =       -7.16831017


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




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


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.06: real time    0.07
    EDDIAG:  cpu time    7.46: real time    7.46
  RMM-DIIS:  cpu time   34.09: real time   34.11
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.96: real time    3.96
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   46.26: real time   46.29

 eigenvalue-minimisations  : 11766
 total energy-change (2. order) : 0.2495352E-01  (-0.5232350E-02)
 number of electron      22.0000030 magnetization       0.0535884
 augmentation part        3.1879325 magnetization       0.0115483

 Broyden mixing:
  rms(total) = 0.34642E-01    rms(broyden)= 0.34624E-01
  rms(prec ) = 0.92855E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4601
  0.9617  1.9586

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -398.04352698
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.04356665
  PAW double counting   =      1380.58124155    -1274.93322496
  entropy T*S    EENTRO =        -0.00984593
  eigenvalues    EBANDS =      -121.66579496
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.14664074 eV

  energy without entropy =       -7.13679481  energy(sigma->0) =       -7.14335876


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




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


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.06: real time    0.07
    EDDIAG:  cpu time    7.44: real time    7.45
  RMM-DIIS:  cpu time   33.58: real time   33.59
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.97: real time    3.97
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   45.75: real time   45.78

 eigenvalue-minimisations  : 11663
 total energy-change (2. order) : 0.7583186E-02  (-0.3471357E-02)
 number of electron      22.0000030 magnetization       0.0706008
 augmentation part        3.2006609 magnetization       0.0047176

 Broyden mixing:
  rms(total) = 0.65350E-02    rms(broyden)= 0.65104E-02
  rms(prec ) = 0.17327E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3737
  2.0058  1.0576  1.0576

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -399.26553391
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.04218902
  PAW double counting   =      1373.63404435    -1267.76111117
  entropy T*S    EENTRO =        -0.00972026
  eigenvalues    EBANDS =      -120.66262473
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13905755 eV

  energy without entropy =       -7.12933729  energy(sigma->0) =       -7.13581747


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




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


    POTLOK:  cpu time    0.36: real time    0.36
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.47: real time    7.48
  RMM-DIIS:  cpu time   34.77: real time   34.79
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.99: real time    4.00
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   47.02: real time   47.07

 eigenvalue-minimisations  : 12179
 total energy-change (2. order) :-0.6390582E-04  (-0.3604115E-03)
 number of electron      22.0000030 magnetization       0.1194243
 augmentation part        3.2015476 magnetization       0.0329354

 Broyden mixing:
  rms(total) = 0.39906E-02    rms(broyden)= 0.39870E-02
  rms(prec ) = 0.71172E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2881
  1.8418  1.1519  1.0793  1.0793

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -399.42538415
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.03706969
  PAW double counting   =      1371.70480264    -1265.84879492
  entropy T*S    EENTRO =        -0.00955428
  eigenvalues    EBANDS =      -120.49119824
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13912146 eV

  energy without entropy =       -7.12956718  energy(sigma->0) =       -7.13593670


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




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


    POTLOK:  cpu time    0.37: real time    0.37
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.57: real time    7.58
  RMM-DIIS:  cpu time   35.51: real time   35.57
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.97: real time    3.97
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   47.84: real time   47.93

 eigenvalue-minimisations  : 10948
 total energy-change (2. order) :-0.4063019E-03  (-0.1354947E-03)
 number of electron      22.0000030 magnetization       0.1431801
 augmentation part        3.2062360 magnetization      -0.0007459

 Broyden mixing:
  rms(total) = 0.46490E-02    rms(broyden)= 0.46392E-02
  rms(prec ) = 0.87593E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0800
  1.7881  1.2763  1.0797  1.0797  0.1761

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -399.17883382
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.03992286
  PAW double counting   =      1368.23066261    -1262.39357754
  entropy T*S    EENTRO =        -0.00880757
  eigenvalues    EBANDS =      -120.71712577
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13952776 eV

  energy without entropy =       -7.13072019  energy(sigma->0) =       -7.13659190


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




----------------------------------------- Iteration    2(   7)  ---------------------------------------


    POTLOK:  cpu time    0.36: real time    0.36
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.57: real time    7.58
  RMM-DIIS:  cpu time   28.97: real time   29.06
    ORTHCH:  cpu time    0.31: real time    0.31
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    4.01: real time    4.02
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   41.33: real time   41.44

 eigenvalue-minimisations  :  8836
 total energy-change (2. order) :-0.2054007E-03  (-0.4199922E-04)
 number of electron      22.0000030 magnetization       0.0546494
 augmentation part        3.2063746 magnetization      -0.1163656

 Broyden mixing:
  rms(total) = 0.40127E-02    rms(broyden)= 0.40082E-02
  rms(prec ) = 0.46287E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9650
  4.4314  2.2620  2.2620  1.0654  1.0654  0.7039

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -399.30173999
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.03662047
  PAW double counting   =      1368.26683736    -1262.42750253
  entropy T*S    EENTRO =        -0.00830925
  eigenvalues    EBANDS =      -120.60047547
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13973316 eV

  energy without entropy =       -7.13142391  energy(sigma->0) =       -7.13696341


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




----------------------------------------- Iteration    2(   8)  ---------------------------------------


    POTLOK:  cpu time    0.37: real time    0.37
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.60: real time    7.61
  RMM-DIIS:  cpu time   28.91: real time   28.95
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    4.00: real time    4.00
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   41.29: real time   41.35

 eigenvalue-minimisations  :  9083
 total energy-change (2. order) : 0.6349745E-03  (-0.1553204E-03)
 number of electron      22.0000030 magnetization      -0.0022356
 augmentation part        3.2072513 magnetization      -0.0677402

 Broyden mixing:
  rms(total) = 0.38511E-02    rms(broyden)= 0.38258E-02
  rms(prec ) = 0.60592E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8458
  4.5792  2.4128  1.7224  1.7224  0.9325  0.9325  0.6187

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -399.26649145
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.04057905
  PAW double counting   =      1367.70524116    -1261.85586355
  entropy T*S    EENTRO =        -0.00977543
  eigenvalues    EBANDS =      -120.63970705
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13909819 eV

  energy without entropy =       -7.12932275  energy(sigma->0) =       -7.13583971


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




----------------------------------------- Iteration    2(   9)  ---------------------------------------


    POTLOK:  cpu time    0.36: real time    0.36
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.50: real time    7.50
  RMM-DIIS:  cpu time   25.17: real time   25.18
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.99: real time    3.99
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   37.44: real time   37.45

 eigenvalue-minimisations  :  8473
 total energy-change (2. order) : 0.1182408E-03  (-0.7806473E-04)
 number of electron      22.0000030 magnetization       0.0073779
 augmentation part        3.2084633 magnetization       0.0109576

 Broyden mixing:
  rms(total) = 0.34699E-02    rms(broyden)= 0.34484E-02
  rms(prec ) = 0.62420E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6941
  4.2760  2.4474  1.8598  1.8598  0.9245  0.7480  0.7185  0.7185

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -399.28395505
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.04040887
  PAW double counting   =      1367.65457943    -1261.80352100
  entropy T*S    EENTRO =        -0.01003169
  eigenvalues    EBANDS =      -120.62371996
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13897995 eV

  energy without entropy =       -7.12894825  energy(sigma->0) =       -7.13563605


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




----------------------------------------- Iteration    2(  10)  ---------------------------------------


    POTLOK:  cpu time    0.35: real time    0.36
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.47: real time    7.47
  RMM-DIIS:  cpu time   20.80: real time   20.80
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    --------------------------------------------
      LOOP:  cpu time   29.03: real time   29.04

 eigenvalue-minimisations  :  6798
 total energy-change (2. order) : 0.2745339E-05  (-0.5114606E-05)
 number of electron      22.0000030 magnetization       0.0073779
 augmentation part        3.2084633 magnetization       0.0109576

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       113.79117231
  Ewald energy   TEWEN  =     -1508.50055155
  -1/2 Hartree   DENC   =      -399.27854042
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -48.03775860
  PAW double counting   =      1367.78937909    -1261.95302669
  entropy T*S    EENTRO =        -0.01002345
  eigenvalues    EBANDS =      -120.61708431
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.13897720 eV

  energy without entropy =       -7.12895375  energy(sigma->0) =       -7.13563605


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




 average (electrostatic) potential at core
  the test charge radii are     1.1898  1.1249
  (the norm of the test charge is              1.0000)
       1 -73.6878       2 -40.8951



 E-fermi :   4.8304     XC(G=0):  -9.5345     alpha+bet : -9.8261


 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0155      1.00000
      2     -10.7193      1.00000
      3     -10.7193      1.00000
      4     -10.7193      1.00000
      5      -0.7399      1.00000
      6      -0.7399      1.00000
      7      -0.5585      1.00000
      8      -0.5549      1.00000
      9      -0.5549      1.00000
     10      -0.5549      1.00000
     11       6.5107      0.00000
     12       6.5107      0.00000
     13       6.5107      0.00000
     14       7.6530      0.00000
     15       7.6530      0.00000
     16       7.6532      0.00000
     17       7.6940      0.00000
     18       8.1652      0.00000

 k-point   2 :       0.0625    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0150      1.00000
      2     -10.7353      1.00000
      3     -10.7224      1.00000
      4     -10.7224      1.00000
      5      -0.7256      1.00000
      6      -0.7256      1.00000
      7      -0.5499      1.00000
      8      -0.5475      1.00000
      9      -0.5475      1.00000
     10      -0.4881      1.00000
     11       6.3079      0.00000
     12       6.4962      0.00000
     13       6.4962      0.00000
     14       7.3966      0.00000
     15       7.3968      0.00000
     16       7.6253      0.00000
     17       7.8649      0.00000
     18       8.4338      0.00000

 k-point   3 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0135      1.00000
      2     -10.7801      1.00000
      3     -10.7312      1.00000
      4     -10.7312      1.00000
      5      -0.6841      1.00000
      6      -0.6841      1.00000
      7      -0.5388      1.00000
      8      -0.5267      1.00000
      9      -0.5267      1.00000
     10      -0.2819      1.00000
     11       5.8747      0.00000
     12       6.3763      0.00000
     13       6.3763      0.00000
     14       7.1328      0.00000
     15       7.1329      0.00000
     16       7.5398      0.00000
     17       8.2229      0.00000
     18       8.8094      0.00000

 k-point   4 :       0.1875    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0114      1.00000
      2     -10.8458      1.00000
      3     -10.7442      1.00000
      4     -10.7442      1.00000
      5      -0.6209      1.00000
      6      -0.6209      1.00000
      7      -0.5205      1.00000
      8      -0.4937      1.00000
      9      -0.4937      1.00000
     10       0.0456      1.00000
     11       5.3658     -0.00051
     12       6.0616      0.00000
     13       6.0616      0.00000
     14       7.1279      0.00000
     15       7.1279      0.00000
     16       7.4494      0.00000
     17       8.6008      0.00000
     18       9.1194      0.00000

 k-point   5 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0089      1.00000
      2     -10.9211      1.00000
      3     -10.7594      1.00000
      4     -10.7594      1.00000
      5      -0.5457      1.00000
      6      -0.5457      1.00000
      7      -0.4976      1.00000
      8      -0.4581      1.00000
      9      -0.4581      1.00000
     10       0.4718      1.00000
     11       4.8355      0.47816
     12       5.6795      0.00000
     13       5.6795      0.00000
     14       7.2899      0.00000
     15       7.2899      0.00000
     16       7.3987      0.00000
     17       8.9352      0.00000
     18       9.3788      0.00000

 k-point   6 :       0.3125    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0064      1.00000
      2     -10.9943      1.00000
      3     -10.7746      1.00000
      4     -10.7746      1.00000
      5      -0.4691      1.00000
      6      -0.4664      1.00000
      7      -0.4664      1.00000
      8      -0.4207      1.00000
      9      -0.4207      1.00000
     10       0.9672      1.00000
     11       4.3099      1.00072
     12       5.3323     -0.00111
     13       5.3323     -0.00111
     14       7.4218      0.00000
     15       7.5370      0.00000
     16       7.5371      0.00000
     17       9.2410      0.00000
     18       9.4388      0.00000

 k-point   7 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0043      1.00000
      2     -11.0548      1.00000
      3     -10.7873      1.00000
      4     -10.7873      1.00000
      5      -0.4413      1.00000
      6      -0.3991      1.00000
      7      -0.3991      1.00000
      8      -0.3860      1.00000
      9      -0.3860      1.00000
     10       1.4946      1.00000
     11       3.8023      1.00000
     12       5.0609     -0.03457
     13       5.0609     -0.03457
     14       7.5395      0.00000
     15       7.8338      0.00000
     16       7.8339      0.00000
     17       9.2337      0.00000
     18       9.2969      0.00000

 k-point   8 :       0.4375    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0028      1.00000
      2     -11.0944      1.00000
      3     -10.7958      1.00000
      4     -10.7958      1.00000
      5      -0.4196      1.00000
      6      -0.3707      1.00000
      7      -0.3707      1.00000
      8      -0.3440      1.00000
      9      -0.3440      1.00000
     10       1.9988      1.00000
     11       3.3329      1.00000
     12       4.8885      0.26540
     13       4.8885      0.26539
     14       7.7452      0.00000
     15       8.1416      0.00000
     16       8.1420      0.00000
     17       8.9857      0.00000
     18       8.9960      0.00000

 k-point   9 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0023      1.00000
      2     -11.1082      1.00000
      3     -10.7988      1.00000
      4     -10.7988      1.00000
      5      -0.4132      1.00000
      6      -0.3631      1.00000
      7      -0.3631      1.00000
      8      -0.3272      1.00000
      9      -0.3272      1.00000
     10       2.2872      1.00000
     11       3.0609      1.00000
     12       4.8293      0.50462
     13       4.8293      0.50462
     14       7.8927      0.00000
     15       8.3253      0.00000
     16       8.3275      0.00000
     17       8.8221      0.00000
     18       8.8272      0.00000

 k-point  10 :       0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0148      1.00000
      2     -10.7381      1.00000
      3     -10.7246      1.00000
      4     -10.7246      1.00000
      5      -0.7355      1.00000
      6      -0.7132      1.00000
      7      -0.5624      1.00000
      8      -0.5389      1.00000
      9      -0.5389      1.00000
     10      -0.4577      1.00000
     11       6.3577      0.00000
     12       6.4436      0.00000
     13       6.4436      0.00000
     14       6.9781      0.00000
     15       7.7732      0.00000
     16       7.7732      0.00000
     17       7.8718      0.00000
     18       8.1910      0.00000

 k-point  11 :       0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0137      1.00000
      2     -10.7716      1.00000
      3     -10.7324      1.00000
      4     -10.7314      1.00000
      5      -0.7166      1.00000
      6      -0.6810      1.00000
      7      -0.5628      1.00000
      8      -0.5186      1.00000
      9      -0.5166      1.00000
     10      -0.2868      1.00000
     11       6.0234      0.00000
     12       6.3472      0.00000
     13       6.3580      0.00000
     14       6.6726      0.00000
     15       7.6220      0.00000
     16       7.7584      0.00000
     17       8.1653      0.00000
     18       8.5217      0.00000

 k-point  12 :       0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0118      1.00000
      2     -10.8288      1.00000
      3     -10.7448      1.00000
      4     -10.7428      1.00000
      5      -0.6728      1.00000
      6      -0.6218      1.00000
      7      -0.5521      1.00000
      8      -0.4910      1.00000
      9      -0.4848      1.00000
     10       0.0034      1.00000
     11       5.5219     -0.00001
     12       5.9819      0.00000
     13       6.1657      0.00000
     14       6.7597      0.00000
     15       7.4888      0.00000
     16       7.6679      0.00000
     17       8.5209      0.00000
     18       8.8613      0.00000

 k-point  13 :       0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0094      1.00000
      2     -10.8991      1.00000
      3     -10.7596      1.00000
      4     -10.7576      1.00000
      5      -0.6084      1.00000
      6      -0.5466      1.00000
      7      -0.5301      1.00000
      8      -0.4600      1.00000
      9      -0.4483      1.00000
     10       0.3947      1.00000
     11       4.9746      0.03302
     12       5.6232      0.00000
     13       5.8650      0.00000
     14       6.9421      0.00000
     15       7.5385      0.00000
     16       7.5927      0.00000
     17       8.8548      0.00000
     18       9.1533      0.00000

 k-point  14 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0069      1.00000
      2     -10.9711      1.00000
      3     -10.7748      1.00000
      4     -10.7736      1.00000
      5      -0.5322      1.00000
      6      -0.5008      1.00000
      7      -0.4678      1.00000
      8      -0.4263      1.00000
      9      -0.4123      1.00000
     10       0.8625      1.00000
     11       4.4341      1.00849
     12       5.3143     -0.00165
     13       5.5345      0.00000
     14       7.1592      0.00000
     15       7.5996      0.00000
     16       7.7184      0.00000
     17       9.1634      0.00000
     18       9.3895      0.00000

 k-point  15 :       0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0047      1.00000
      2     -11.0341      1.00000
      3     -10.7885      1.00000
      4     -10.7879      1.00000
      5      -0.4668      1.00000
      6      -0.4547      1.00000
      7      -0.4021      1.00000
      8      -0.3962      1.00000
      9      -0.3821      1.00000
     10       1.3753      1.00000
     11       3.9175      1.00000
     12       5.0741     -0.03545
     13       5.2390     -0.00694
     14       7.3697      0.00000
     15       7.7517      0.00000
     16       7.9702      0.00000
     17       9.2015      0.00000
     18       9.3542      0.00000

 k-point  16 :       0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0030      1.00000
      2     -11.0795      1.00000
      3     -10.7998      1.00000
      4     -10.7970      1.00000
      5      -0.4344      1.00000
      6      -0.3886      1.00000
      7      -0.3789      1.00000
      8      -0.3606      1.00000
      9      -0.3557      1.00000
     10       1.8929      1.00000
     11       3.4301      1.00000
     12       4.9199      0.15994
     13       5.0168     -0.01660
     14       7.5843      0.00000
     15       8.0346      0.00000
     16       8.2374      0.00000
     17       8.9539      0.00000
     18       9.0233      0.00000

 k-point  17 :       0.5000    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0022      1.00000
      2     -11.1013      1.00000
      3     -10.8060      1.00000
      4     -10.8007      1.00000
      5      -0.4155      1.00000
      6      -0.3695      1.00000
      7      -0.3610      1.00000
      8      -0.3434      1.00000
      9      -0.3383      1.00000
     10       2.3210      1.00000
     11       3.0272      1.00000
     12       4.8618      0.36873
     13       4.8918      0.25319
     14       7.8123      0.00000
     15       8.3168      0.00000
     16       8.3368      0.00000
     17       8.6894      0.00000
     18       8.9253      0.00000

 k-point  18 :      -0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0024      1.00000
      2     -11.0968      1.00000
      3     -10.8062      1.00000
      4     -10.7987      1.00000
      5      -0.4161      1.00000
      6      -0.3731      1.00000
      7      -0.3677      1.00000
      8      -0.3609      1.00000
      9      -0.3276      1.00000
     10       2.2111      1.00000
     11       3.1339      1.00000
     12       4.8783      0.30367
     13       4.9011      0.22040
     14       7.8200      0.00000
     15       8.0769      0.00000
     16       8.4335      0.00000
     17       8.6647      0.00000
     18       9.0348      0.00000

 k-point  19 :      -0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0035      1.00000
      2     -11.0667      1.00000
      3     -10.8003      1.00000
      4     -10.7910      1.00000
      5      -0.4365      1.00000
      6      -0.4218      1.00000
      7      -0.3890      1.00000
      8      -0.3712      1.00000
      9      -0.3504      1.00000
     10       1.7298      1.00000
     11       3.5888      1.00000
     12       4.9808      0.02329
     13       5.0297     -0.02479
     14       7.6492      0.00000
     15       7.7364      0.00000
     16       8.2314      0.00000
     17       8.9288      0.00000
     18       9.3729      0.00000

 k-point  20 :      -0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0054      1.00000
      2     -11.0146      1.00000
      3     -10.7891      1.00000
      4     -10.7789      1.00000
      5      -0.4930      1.00000
      6      -0.4661      1.00000
      7      -0.4201      1.00000
      8      -0.4025      1.00000
      9      -0.3904      1.00000
     10       1.2046      1.00000
     11       4.0954      1.00000
     12       5.1944     -0.01367
     13       5.2321     -0.00777
     14       7.4104      0.00000
     15       7.5487      0.00000
     16       7.9379      0.00000
     17       9.2177      0.00000
     18       9.2918      0.00000

 k-point  21 :      -0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0078      1.00000
      2     -10.9477      1.00000
      3     -10.7742      1.00000
      4     -10.7642      1.00000
      5      -0.5699      1.00000
      6      -0.4969      1.00000
      7      -0.4755      1.00000
      8      -0.4555      1.00000
      9      -0.4198      1.00000
     10       0.6983      1.00000
     11       4.6282      1.02624
     12       5.4860     -0.00002
     13       5.5067     -0.00001
     14       7.1262      0.00000
     15       7.5490      0.00000
     16       7.6751      0.00000
     17       9.0454      0.00000
     18       9.2983      0.00000

 k-point  22 :      -0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0103      1.00000
      2     -10.8753      1.00000
      3     -10.7579      1.00000
      4     -10.7490      1.00000
      5      -0.6405      1.00000
      6      -0.5541      1.00000
      7      -0.5220      1.00000
      8      -0.4917      1.00000
      9      -0.4551      1.00000
     10       0.2483      1.00000
     11       5.1753     -0.01749
     12       5.7634      0.00000
     13       5.9002      0.00000
     14       6.8967      0.00000
     15       7.4787      0.00000
     16       7.6270      0.00000
     17       8.7509      0.00000
     18       9.0952      0.00000

 k-point  23 :      -0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0125      1.00000
      2     -10.8087      1.00000
      3     -10.7424      1.00000
      4     -10.7357      1.00000
      5      -0.6931      1.00000
      6      -0.6285      1.00000
      7      -0.5401      1.00000
      8      -0.5224      1.00000
      9      -0.4908      1.00000
     10      -0.1149      1.00000
     11       5.7047      0.00000
     12       6.0327      0.00000
     13       6.3443      0.00000
     14       6.7367      0.00000
     15       7.3794      0.00000
     16       7.7314      0.00000
     17       8.4224      0.00000
     18       8.7290      0.00000

 k-point  24 :      -0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0142      1.00000
      2     -10.7591      1.00000
      3     -10.7299      1.00000
      4     -10.7263      1.00000
      5      -0.7219      1.00000
      6      -0.6881      1.00000
      7      -0.5494      1.00000
      8      -0.5415      1.00000
      9      -0.5238      1.00000
     10      -0.3676      1.00000
     11       6.1193      0.00000
     12       6.2887      0.00000
     13       6.5546      0.00000
     14       6.9059      0.00000
     15       7.3978      0.00000
     16       7.7494      0.00000
     17       8.0985      0.00000
     18       8.5365      0.00000

 k-point  25 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0129      1.00000
      2     -10.7885      1.00000
      3     -10.7393      1.00000
      4     -10.7393      1.00000
      5      -0.7228      1.00000
      6      -0.6731      1.00000
      7      -0.5824      1.00000
      8      -0.4947      1.00000
      9      -0.4947      1.00000
     10      -0.1411      1.00000
     11       6.0307      0.00000
     12       6.0553      0.00000
     13       6.3258      0.00000
     14       6.3258      0.00000
     15       8.0471      0.00000
     16       8.0471      0.00000
     17       8.2243      0.00000
     18       8.2400      0.00000

 k-point  26 :       0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0114      1.00000
      2     -10.8309      1.00000
      3     -10.7507      1.00000
      4     -10.7502      1.00000
      5      -0.7011      1.00000
      6      -0.6360      1.00000
      7      -0.5891      1.00000
      8      -0.4660      1.00000
      9      -0.4642      1.00000
     10       0.1161      1.00000
     11       5.5047     -0.00001
     12       5.7975      0.00000
     13       6.2364      0.00000
     14       6.4292      0.00000
     15       7.9088      0.00000
     16       8.0650      0.00000
     17       8.5270      0.00000
     18       8.5793      0.00000

 k-point  27 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0093      1.00000
      2     -10.8891      1.00000
      3     -10.7649      1.00000
      4     -10.7649      1.00000
      5      -0.6558      1.00000
      6      -0.5813      1.00000
      7      -0.5726      1.00000
      8      -0.4362      1.00000
      9      -0.4299      1.00000
     10       0.4628      1.00000
     11       4.9646      0.05061
     12       5.5152     -0.00001
     13       6.0483      0.00000
     14       6.6238      0.00000
     15       7.8463      0.00000
     16       7.9939      0.00000
     17       8.8301      0.00000
     18       8.9360      0.00000

 k-point  28 :       0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0069      1.00000
      2     -10.9524      1.00000
      3     -10.7823      1.00000
      4     -10.7795      1.00000
      5      -0.5916      1.00000
      6      -0.5576      1.00000
      7      -0.4999      1.00000
      8      -0.4069      1.00000
      9      -0.3967      1.00000
     10       0.8806      1.00000
     11       4.4493      1.01072
     12       5.2721     -0.00385
     13       5.7823      0.00000
     14       6.8515      0.00000
     15       7.9398      0.00000
     16       7.9485      0.00000
     17       9.0962      0.00000
     18       9.1700      0.00000

 k-point  29 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0047      1.00000
      2     -11.0107      1.00000
      3     -10.8001      1.00000
      4     -10.7925      1.00000
      5      -0.5234      1.00000
      6      -0.5169      1.00000
      7      -0.4355      1.00000
      8      -0.3835      1.00000
      9      -0.3685      1.00000
     10       1.3463      1.00000
     11       3.9656      1.00000
     12       5.0890     -0.03480
     13       5.4997     -0.00001
     14       7.0908      0.00000
     15       7.9999      0.00000
     16       8.1356      0.00000
     17       9.1448      0.00000
     18       9.2928      0.00000

 k-point  30 :       0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0029      1.00000
      2     -11.0559      1.00000
      3     -10.8154      1.00000
      4     -10.8019      1.00000
      5      -0.4814      1.00000
      6      -0.4420      1.00000
      7      -0.3942      1.00000
      8      -0.3693      1.00000
      9      -0.3504      1.00000
     10       1.8339      1.00000
     11       3.5072      1.00000
     12       4.9753      0.03177
     13       5.2524     -0.00552
     14       7.3274      0.00000
     15       8.1863      0.00000
     16       8.3589      0.00000
     17       8.9161      0.00000
     18       8.9794      0.00000

 k-point  31 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0019      1.00000
      2     -11.0819      1.00000
      3     -10.8260      1.00000
      4     -10.8063      1.00000
      5      -0.4414      1.00000
      6      -0.3851      1.00000
      7      -0.3801      1.00000
      8      -0.3698      1.00000
      9      -0.3450      1.00000
     10       2.3191      1.00000
     11       3.0585      1.00000
     12       4.9259      0.14239
     13       5.0746     -0.03546
     14       7.5871      0.00000
     15       8.3634      0.00000
     16       8.3755      0.00000
     17       8.7218      0.00000
     18       8.8489      0.00000

 k-point  32 :      -0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0017      1.00000
      2     -11.0854      1.00000
      3     -10.8301      1.00000
      4     -10.8051      1.00000
      5      -0.4163      1.00000
      6      -0.4102      1.00000
      7      -0.3775      1.00000
      8      -0.3586      1.00000
      9      -0.3350      1.00000
     10       2.5472      1.00000
     11       2.8438      1.00000
     12       4.9280      0.13641
     13       4.9887      0.01211
     14       7.8775      0.00000
     15       8.0471      0.00000
     16       8.2093      0.00000
     17       8.8798      0.00000
     18       9.3647      0.00000

 k-point  33 :      -0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0025      1.00000
      2     -11.0662      1.00000
      3     -10.8271      1.00000
      4     -10.7984      1.00000
      5      -0.4624      1.00000
      6      -0.4270      1.00000
      7      -0.3788      1.00000
      8      -0.3737      1.00000
      9      -0.3287      1.00000
     10       2.0685      1.00000
     11       3.3097      1.00000
     12       4.9736      0.03458
     13       5.0074     -0.00873
     14       7.6856      0.00000
     15       7.9085      0.00000
     16       8.4063      0.00000
     17       8.7313      0.00000
     18       9.2950      0.00000

 k-point  34 :      -0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0040      1.00000
      2     -11.0269      1.00000
      3     -10.8171      1.00000
      4     -10.7872      1.00000
      5      -0.5286      1.00000
      6      -0.4593      1.00000
      7      -0.4086      1.00000
      8      -0.3733      1.00000
      9      -0.3542      1.00000
     10       1.5516      1.00000
     11       3.8131      1.00000
     12       5.0620     -0.03471
     13       5.1340     -0.02683
     14       7.3489      0.00000
     15       7.8774      0.00000
     16       8.3775      0.00000
     17       8.8558      0.00000
     18       9.4448      0.00000

 k-point  35 :      -0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0062      1.00000
      2     -10.9731      1.00000
      3     -10.8013      1.00000
      4     -10.7732      1.00000
      5      -0.5952      1.00000
      6      -0.4918      1.00000
      7      -0.4434      1.00000
      8      -0.4081      1.00000
      9      -0.3878      1.00000
     10       1.0425      1.00000
     11       4.3479      1.00170
     12       5.1910     -0.01431
     13       5.3626     -0.00055
     14       7.0603      0.00000
     15       7.9232      0.00000
     16       8.0776      0.00000
     17       9.0894      0.00000
     18       9.2188      0.00000

 k-point  36 :      -0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0085      1.00000
      2     -10.9125      1.00000
      3     -10.7817      1.00000
      4     -10.7585      1.00000
      5      -0.6507      1.00000
      6      -0.5177      1.00000
      7      -0.4801      1.00000
      8      -0.4770      1.00000
      9      -0.4155      1.00000
     10       0.5753      1.00000
     11       4.9126      0.18244
     12       5.3517     -0.00071
     13       5.6785      0.00000
     14       6.8340      0.00000
     15       7.7902      0.00000
     16       8.0105      0.00000
     17       8.8723      0.00000
     18       9.0099      0.00000

 k-point  37 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0107      1.00000
      2     -10.8548      1.00000
      3     -10.7609      1.00000
      4     -10.7453      1.00000
      5      -0.6852      1.00000
      6      -0.5578      1.00000
      7      -0.5340      1.00000
      8      -0.5056      1.00000
      9      -0.4518      1.00000
     10       0.1806      1.00000
     11       5.4791     -0.00002
     12       5.5408      0.00000
     13       6.0510      0.00000
     14       6.6876      0.00000
     15       7.5621      0.00000
     16       7.9799      0.00000
     17       8.7138      0.00000
     18       8.7209      0.00000

 k-point  38 :       0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0102      1.00000
      2     -10.8558      1.00000
      3     -10.7611      1.00000
      4     -10.7611      1.00000
      5      -0.7037      1.00000
      6      -0.6309      1.00000
      7      -0.6148      1.00000
      8      -0.4358      1.00000
      9      -0.4358      1.00000
     10       0.3372      1.00000
     11       5.1556     -0.02186
     12       5.7477      0.00000
     13       6.2631      0.00000
     14       6.2631      0.00000
     15       8.2980      0.00000
     16       8.3586      0.00000
     17       8.3589      0.00000
     18       8.6308      0.00000

 k-point  39 :       0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0084      1.00000
      2     -10.8977      1.00000
      3     -10.7751      1.00000
      4     -10.7742      1.00000
      5      -0.6806      1.00000
      6      -0.6241      1.00000
      7      -0.5964      1.00000
      8      -0.4055      1.00000
      9      -0.4043      1.00000
     10       0.6316      1.00000
     11       4.7615      0.77304
     12       5.5264      0.00000
     13       6.2081      0.00000
     14       6.3761      0.00000
     15       8.1730      0.00000
     16       8.3947      0.00000
     17       8.7114      0.00000
     18       8.8660      0.00000

 k-point  40 :       0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0063      1.00000
      2     -10.9467      1.00000
      3     -10.7934      1.00000
      4     -10.7881      1.00000
      5      -0.6352      1.00000
      6      -0.6151      1.00000
      7      -0.5417      1.00000
      8      -0.3790      1.00000
      9      -0.3746      1.00000
     10       0.9777      1.00000
     11       4.3816      1.00336
     12       5.2868     -0.00290
     13       6.0500      0.00000
     14       6.6030      0.00000
     15       8.1801      0.00000
     16       8.3467      0.00000
     17       8.9928      0.00000
     18       9.1159      0.00000

 k-point  41 :       0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0043      1.00000
      2     -10.9935      1.00000
      3     -10.8146      1.00000
      4     -10.8006      1.00000
      5      -0.5885      1.00000
      6      -0.5726      1.00000
      7      -0.4863      1.00000
      8      -0.3594      1.00000
      9      -0.3495      1.00000
     10       1.3564      1.00000
     11       4.0225      1.00000
     12       5.1123     -0.03142
     13       5.8210      0.00000
     14       6.8624      0.00000
     15       8.3156      0.00000
     16       8.3345      0.00000
     17       9.0676      0.00000
     18       9.2816      0.00000

 k-point  42 :       0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0025      1.00000
      2     -11.0313      1.00000
      3     -10.8356      1.00000
      4     -10.8099      1.00000
      5      -0.5479      1.00000
      6      -0.5004      1.00000
      7      -0.4483      1.00000
      8      -0.3494      1.00000
      9      -0.3347      1.00000
     10       1.7507      1.00000
     11       3.6781      1.00000
     12       5.0161     -0.01601
     13       5.5774      0.00000
     14       7.1081      0.00000
     15       8.4291      0.00000
     16       8.5002      0.00000
     17       8.8739      0.00000
     18       9.0249      0.00000

 k-point  43 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0014      1.00000
      2     -11.0550      1.00000
      3     -10.8530      1.00000
      4     -10.8146      1.00000
      5      -0.4991      1.00000
      6      -0.4387      1.00000
      7      -0.4299      1.00000
      8      -0.3544      1.00000
      9      -0.3311      1.00000
     10       2.1463      1.00000
     11       3.3346      1.00000
     12       4.9728      0.03601
     13       5.3643     -0.00053
     14       7.3218      0.00000
     15       8.4084      0.00000
     16       8.5321      0.00000
     17       8.8306      0.00000
     18       8.8818      0.00000

 k-point  44 :      -0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0010      1.00000
      2     -11.0621      1.00000
      3     -10.8634      1.00000
      4     -10.8140      1.00000
      5      -0.4626      1.00000
      6      -0.4476      1.00000
      7      -0.3722      1.00000
      8      -0.3721      1.00000
      9      -0.3397      1.00000
     10       2.5055      1.00000
     11       3.0029      1.00000
     12       4.9404      0.10356
     13       5.2123     -0.01060
     14       7.5620      0.00000
     15       8.0538      0.00000
     16       8.3505      0.00000
     17       9.1029      0.00000
     18       9.1387      0.00000

 k-point  45 :      -0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0014      1.00000
      2     -11.0524      1.00000
      3     -10.8646      1.00000
      4     -10.8082      1.00000
      5      -0.5037      1.00000
      6      -0.4173      1.00000
      7      -0.3927      1.00000
      8      -0.3622      1.00000
      9      -0.3330      1.00000
     10       2.4142      1.00000
     11       3.0853      1.00000
     12       4.9094      0.19286
     13       5.1402     -0.02543
     14       7.6881      0.00000
     15       7.9028      0.00000
     16       8.2688      0.00000
     17       9.1659      0.00000
     18       9.3331      0.00000

 k-point  46 :      -0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0026      1.00000
      2     -11.0282      1.00000
      3     -10.8553      1.00000
      4     -10.7981      1.00000
      5      -0.5556      1.00000
      6      -0.4418      1.00000
      7      -0.3897      1.00000
      8      -0.3789      1.00000
      9      -0.3297      1.00000
     10       1.9611      1.00000
     11       3.5095      1.00000
     12       4.9084      0.19593
     13       5.1579     -0.02134
     14       7.3604      0.00000
     15       8.2716      0.00000
     16       8.3488      0.00000
     17       8.8629      0.00000
     18       9.2994      0.00000

 k-point  47 :      -0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0044      1.00000
      2     -10.9936      1.00000
      3     -10.8362      1.00000
      4     -10.7851      1.00000
      5      -0.6044      1.00000
      6      -0.4753      1.00000
      7      -0.4225      1.00000
      8      -0.3736      1.00000
      9      -0.3564      1.00000
     10       1.4669      1.00000
     11       3.9897      1.00000
     12       4.9640      0.05170
     13       5.2651     -0.00439
     14       7.0956      0.00000
     15       8.3353      0.00000
     16       8.4763      0.00000
     17       8.8106      0.00000
     18       9.0862      0.00000

 k-point  48 :      -0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0064      1.00000
      2     -10.9534      1.00000
      3     -10.8100      1.00000
      4     -10.7712      1.00000
      5      -0.6379      1.00000
      6      -0.5012      1.00000
      7      -0.4519      1.00000
      8      -0.4092      1.00000
      9      -0.3860      1.00000
     10       0.9921      1.00000
     11       4.4870      1.01781
     12       5.0930     -0.03439
     13       5.4489     -0.00006
     14       6.9129      0.00000
     15       8.1254      0.00000
     16       8.3044      0.00000
     17       8.8687      0.00000
     18       9.1788      0.00000

 k-point  49 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0070      1.00000
      2     -10.9237      1.00000
      3     -10.7862      1.00000
      4     -10.7862      1.00000
      5      -0.6796      1.00000
      6      -0.6521      1.00000
      7      -0.5951      1.00000
      8      -0.3752      1.00000
      9      -0.3752      1.00000
     10       0.8558      1.00000
     11       4.5189      1.02503
     12       5.4826     -0.00002
     13       6.3068      0.00000
     14       6.3068      0.00000
     15       8.3930      0.00000
     16       8.6428      0.00000
     17       8.6442      0.00000
     18       9.0461      0.00000

 k-point  50 :       0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0053      1.00000
      2     -10.9580      1.00000
      3     -10.8018      1.00000
      4     -10.7991      1.00000
      5      -0.6623      1.00000
      6      -0.6589      1.00000
      7      -0.5704      1.00000
      8      -0.3512      1.00000
      9      -0.3499      1.00000
     10       1.1042      1.00000
     11       4.3129      1.00078
     12       5.3147     -0.00163
     13       6.2981      0.00000
     14       6.4528      0.00000
     15       8.3961      0.00000
     16       8.6824      0.00000
     17       8.8601      0.00000
     18       9.1714      0.00000

 k-point  51 :       0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0035      1.00000
      2     -10.9911      1.00000
      3     -10.8236      1.00000
      4     -10.8109      1.00000
      5      -0.6497      1.00000
      6      -0.6143      1.00000
      7      -0.5345      1.00000
      8      -0.3330      1.00000
      9      -0.3283      1.00000
     10       1.3610      1.00000
     11       4.1450      1.00001
     12       5.1399     -0.02550
     13       6.1709      0.00000
     14       6.7024      0.00000
     15       8.4837      0.00000
     16       8.6589      0.00000
     17       8.9845      0.00000
     18       9.2981      0.00000

 k-point  52 :       0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0019      1.00000
      2     -11.0164      1.00000
      3     -10.8499      1.00000
      4     -10.8197      1.00000
      5      -0.6175      1.00000
      6      -0.5547      1.00000
      7      -0.5042      1.00000
      8      -0.3252      1.00000
      9      -0.3150      1.00000
     10       1.6232      1.00000
     11       3.9799      1.00000
     12       5.0343     -0.02702
     13       5.9664      0.00000
     14       6.9453      0.00000
     15       8.6505      0.00000
     16       8.6864      0.00000
     17       8.8309      0.00000
     18       9.0238      0.00000

 k-point  53 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0008      1.00000
      2     -11.0304      1.00000
      3     -10.8767      1.00000
      4     -10.8244      1.00000
      5      -0.5696      1.00000
      6      -0.4944      1.00000
      7      -0.4871      1.00000
      8      -0.3322      1.00000
      9      -0.3133      1.00000
     10       1.8951      1.00000
     11       3.7822      1.00000
     12       4.9911      0.00898
     13       5.7397      0.00000
     14       7.0887      0.00000
     15       8.4661      0.00000
     16       8.7413      0.00000
     17       8.8983      0.00000
     18       8.9088      0.00000

 k-point  54 :      -0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0002      1.00000
      2     -11.0327      1.00000
      3     -10.8982      1.00000
      4     -10.8241      1.00000
      5      -0.5191      1.00000
      6      -0.4996      1.00000
      7      -0.4200      1.00000
      8      -0.3506      1.00000
      9      -0.3219      1.00000
     10       2.1719      1.00000
     11       3.5404      1.00000
     12       4.9414      0.10106
     13       5.5316      0.00000
     14       7.1901      0.00000
     15       8.1011      0.00000
     16       8.6429      0.00000
     17       9.1397      0.00000
     18       9.2360      0.00000

 k-point  55 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0004      1.00000
      2     -11.0267      1.00000
      3     -10.9073      1.00000
      4     -10.8190      1.00000
      5      -0.5368      1.00000
      6      -0.4544      1.00000
      7      -0.3794      1.00000
      8      -0.3660      1.00000
      9      -0.3398      1.00000
     10       2.3898      1.00000
     11       3.3018      1.00000
     12       4.8623      0.36699
     13       5.3674     -0.00049
     14       7.4216      0.00000
     15       7.7495      0.00000
     16       8.6369      0.00000
     17       9.2997      0.00000
     18       9.4061      0.00000

 k-point  56 :      -0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0012      1.00000
      2     -11.0180      1.00000
      3     -10.8980      1.00000
      4     -10.8099      1.00000
      5      -0.5681      1.00000
      6      -0.4168      1.00000
      7      -0.4061      1.00000
      8      -0.3667      1.00000
      9      -0.3332      1.00000
     10       2.3112      1.00000
     11       3.3085      1.00000
     12       4.8128      0.57422
     13       5.2638     -0.00450
     14       7.4510      0.00000
     15       7.8168      0.00000
     16       8.6795      0.00000
     17       9.1423      0.00000
     18       9.3869      0.00000

 k-point  57 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0027      1.00000
      2     -11.0080      1.00000
      3     -10.8715      1.00000
      4     -10.7979      1.00000
      5      -0.5944      1.00000
      6      -0.4491      1.00000
      7      -0.3955      1.00000
      8      -0.3809      1.00000
      9      -0.3305      1.00000
     10       1.9236      1.00000
     11       3.6079      1.00000
     12       4.8412      0.45435
     13       5.2294     -0.00812
     14       7.2283      0.00000
     15       8.2981      0.00000
     16       8.6507      0.00000
     17       8.8899      0.00000
     18       9.3382      0.00000

 k-point  58 :       0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -31.0039      1.00000
      2     -10.9802      1.00000
      3     -10.8109      1.00000
      4     -10.8109      1.00000
      5      -0.6913      1.00000
      6      -0.6589      1.00000
      7      -0.5768      1.00000
      8      -0.3271      1.00000
      9      -0.3271      1.00000
     10       1.2296      1.00000
     11       4.2977      1.00054
     12       5.2723     -0.00383
     13       6.4677      0.00000
     14       6.4677      0.00000
     15       8.5094      0.00000
     16       8.8676      0.00000
     17       8.8695      0.00000
     18       9.2197      0.00000

 k-point  59 :       0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -31.0025      1.00000
      2     -11.0031      1.00000
      3     -10.8265      1.00000
      4     -10.8217      1.00000
      5      -0.6973      1.00000
      6      -0.6380      1.00000
      7      -0.5673      1.00000
      8      -0.3094      1.00000
      9      -0.3085      1.00000
     10       1.3500      1.00000
     11       4.3327      1.00122
     12       5.1541     -0.02220
     13       6.4977      0.00000
     14       6.6432      0.00000
     15       8.5879      0.00000
     16       8.9025      0.00000
     17       8.9570      0.00000
     18       9.2219      0.00000

 k-point  60 :       0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -31.0012      1.00000
      2     -11.0186      1.00000
      3     -10.8510      1.00000
      4     -10.8298      1.00000
      5      -0.6791      1.00000
      6      -0.5971      1.00000
      7      -0.5521      1.00000
      8      -0.3022      1.00000
      9      -0.2973      1.00000
     10       1.4838      1.00000
     11       4.3591      1.00215
     12       5.0430     -0.03050
     13       6.3815      0.00000
     14       6.8543      0.00000
     15       8.7453      0.00000
     16       8.8692      0.00000
     17       8.9067      0.00000
     18       9.1001      0.00000

 k-point  61 :       0.5000    0.3125    0.0000
  band No.  band energies     occupation
      1     -31.0001      1.00000
      2     -11.0220      1.00000
      3     -10.8829      1.00000
      4     -10.8341      1.00000
      5      -0.6397      1.00000
      6      -0.5440      1.00000
      7      -0.5411      1.00000
      8      -0.3069      1.00000
      9      -0.2949      1.00000
     10       1.6533      1.00000
     11       4.2942      1.00050
     12       4.9975      0.00144
     13       6.1703      0.00000
     14       6.9283      0.00000
     15       8.5348      0.00000
     16       8.9562      0.00000
     17       8.9652      0.00000
     18       9.0396      0.00000

 k-point  62 :      -0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.9996      1.00000
      2     -11.0121      1.00000
      3     -10.9180      1.00000
      4     -10.8339      1.00000
      5      -0.5853      1.00000
      6      -0.5440      1.00000
      7      -0.4777      1.00000
      8      -0.3233      1.00000
      9      -0.3027      1.00000
     10       1.8686      1.00000
     11       4.1137      1.00000
     12       4.9520      0.07638
     13       5.9190      0.00000
     14       6.9010      0.00000
     15       8.1919      0.00000
     16       8.9260      0.00000
     17       9.1692      0.00000
     18       9.3124      0.00000

 k-point  63 :      -0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.9996      1.00000
      2     -10.9945      1.00000
      3     -10.9468      1.00000
      4     -10.8292      1.00000
      5      -0.5604      1.00000
      6      -0.5154      1.00000
      7      -0.4148      1.00000
      8      -0.3506      1.00000
      9      -0.3199      1.00000
     10       2.1172      1.00000
     11       3.8160      1.00000
     12       4.8561      0.39229
     13       5.6662      0.00000
     14       7.0230      0.00000
     15       7.8754      0.00000
     16       8.9494      0.00000
     17       9.2221      0.00000
     18       9.3889      0.00000

 k-point  64 :      -0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -31.0002      1.00000
      2     -10.9995      1.00000
      3     -10.9368      1.00000
      4     -10.8208      1.00000
      5      -0.5677      1.00000
      6      -0.4566      1.00000
      7      -0.3821      1.00000
      8      -0.3628      1.00000
      9      -0.3417      1.00000
     10       2.3365      1.00000
     11       3.4563      1.00000
     12       4.7934      0.65346
     13       5.4397     -0.00007
     14       7.3534      0.00000
     15       7.6239      0.00000
     16       8.9497      0.00000
     17       9.0936      0.00000
     18       9.4469      0.00000

 k-point  65 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -31.0014      1.00000
      2     -11.0197      1.00000
      3     -10.8315      1.00000
      4     -10.8315      1.00000
      5      -0.7242      1.00000
      6      -0.6416      1.00000
      7      -0.5819      1.00000
      8      -0.2916      1.00000
      9      -0.2916      1.00000
     10       1.3437      1.00000
     11       4.5428      1.03030
     12       5.1226     -0.02935
     13       6.7203      0.00000
     14       6.7203      0.00000
     15       8.6410      0.00000
     16       9.0242      0.00000
     17       9.0330      0.00000
     18       9.2722      0.00000

 k-point  66 :       0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -31.0004      1.00000
      2     -11.0311      1.00000
      3     -10.8455      1.00000
      4     -10.8387      1.00000
      5      -0.7243      1.00000
      6      -0.6222      1.00000
      7      -0.5855      1.00000
      8      -0.2829      1.00000
      9      -0.2816      1.00000
     10       1.3727      1.00000
     11       4.7192      0.89923
     12       5.0473     -0.03183
     13       6.7573      0.00000
     14       6.8717      0.00000
     15       8.7308      0.00000
     16       9.0308      0.00000
     17       9.0628      0.00000
     18       9.1790      0.00000

 k-point  67 :       0.5000    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.9996      1.00000
      2     -11.0315      1.00000
      3     -10.8706      1.00000
      4     -10.8423      1.00000
      5      -0.6984      1.00000
      6      -0.5850      1.00000
      7      -0.5819      1.00000
      8      -0.2858      1.00000
      9      -0.2796      1.00000
     10       1.4608      1.00000
     11       4.7590      0.78187
     12       5.0128     -0.01342
     13       6.6071      0.00000
     14       6.8919      0.00000
     15       8.6208      0.00000
     16       9.0610      0.00000
     17       9.1290      0.00000
     18       9.2163      0.00000

 k-point  68 :      -0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.9992      1.00000
      2     -11.0186      1.00000
      3     -10.9051      1.00000
      4     -10.8418      1.00000
      5      -0.6517      1.00000
      6      -0.5761      1.00000
      7      -0.5342      1.00000
      8      -0.2991      1.00000
      9      -0.2860      1.00000
     10       1.6189      1.00000
     11       4.6154      1.03127
     12       4.9995     -0.00077
     13       6.3338      0.00000
     14       6.7608      0.00000
     15       8.3303      0.00000
     16       9.1360      0.00000
     17       9.1974      0.00000
     18       9.2629      0.00000

 k-point  69 :      -0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.9992      1.00000
      2     -10.9948      1.00000
      3     -10.9428      1.00000
      4     -10.8372      1.00000
      5      -0.5929      1.00000
      6      -0.5644      1.00000
      7      -0.4751      1.00000
      8      -0.3225      1.00000
      9      -0.3003      1.00000
     10       1.8436      1.00000
     11       4.3046      1.00064
     12       4.9117      0.18556
     13       6.0026      0.00000
     14       6.7754      0.00000
     15       8.0710      0.00000
     16       9.1612      0.00000
     17       9.2049      0.00000
     18       9.4548      0.00000

 k-point  70 :       0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.9997      1.00000
      2     -11.0421      1.00000
      3     -10.8450      1.00000
      4     -10.8450      1.00000
      5      -0.7457      1.00000
      6      -0.6289      1.00000
      7      -0.6034      1.00000
      8      -0.2718      1.00000
      9      -0.2718      1.00000
     10       1.3185      1.00000
     11       4.9767      0.02965
     12       5.0333     -0.02660
     13       6.9848      0.00000
     14       6.9848      0.00000
     15       8.7625      0.00000
     16       9.1062      0.00000
     17       9.1645      0.00000
     18       9.2450      0.00000

 k-point  71 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.9993      1.00000
      2     -11.0440      1.00000
      3     -10.8558      1.00000
      4     -10.8478      1.00000
      5      -0.7387      1.00000
      6      -0.6135      1.00000
      7      -0.6063      1.00000
      8      -0.2704      1.00000
      9      -0.2694      1.00000
     10       1.3383      1.00000
     11       4.9841      0.01842
     12       5.1083     -0.03215
     13       6.9636      0.00000
     14       7.0062      0.00000
     15       8.7232      0.00000
     16       9.1120      0.00000
     17       9.2018      0.00000
     18       9.2862      0.00000

 k-point  72 :      -0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.9991      1.00000
      2     -11.0349      1.00000
      3     -10.8779      1.00000
      4     -10.8467      1.00000
      5      -0.7053      1.00000
      6      -0.5966      1.00000
      7      -0.5808      1.00000
      8      -0.2804      1.00000
      9      -0.2750      1.00000
     10       1.4389      1.00000
     11       4.8837      0.28294
     12       5.0978     -0.03380
     13       6.7130      0.00000
     14       6.8387      0.00000
     15       8.5237      0.00000
     16       9.2185      0.00000
     17       9.2367      0.00000
     18       9.2752      0.00000

 k-point  73 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation
      1     -30.9992      1.00000
      2     -11.0491      1.00000
      3     -10.8497      1.00000
      4     -10.8497      1.00000
      5      -0.7530      1.00000
      6      -0.6243      1.00000
      7      -0.6153      1.00000
      8      -0.2648      1.00000
      9      -0.2648      1.00000
     10       1.2962      1.00000
     11       5.0041     -0.00559
     12       5.1920     -0.01412
     13       7.1089      0.00000
     14       7.1089      0.00000
     15       8.8184      0.00000
     16       9.0703      0.00000
     17       9.2313      0.00000
     18       9.2818      0.00000

 k-point  74 :       0.1875    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0123      1.00000
      2     -10.8085      1.00000
      3     -10.7450      1.00000
      4     -10.7388      1.00000
      5      -0.7059      1.00000
      6      -0.6376      1.00000
      7      -0.5667      1.00000
      8      -0.5005      1.00000
      9      -0.4825      1.00000
     10      -0.0689      1.00000
     11       5.8289      0.00000
     12       5.8451      0.00000
     13       6.3545      0.00000
     14       6.5225      0.00000
     15       7.6090      0.00000
     16       7.9486      0.00000
     17       8.4345      0.00000
     18       8.5629      0.00000

 k-point  75 :       0.2500    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0103      1.00000
      2     -10.8642      1.00000
      3     -10.7615      1.00000
      4     -10.7504      1.00000
      5      -0.6735      1.00000
      6      -0.5692      1.00000
      7      -0.5578      1.00000
      8      -0.4742      1.00000
      9      -0.4463      1.00000
     10       0.2573      1.00000
     11       5.2727     -0.00381
     12       5.6013      0.00000
     13       6.0531      0.00000
     14       6.6701      0.00000
     15       7.6510      0.00000
     16       7.9481      0.00000
     17       8.7120      0.00000
     18       8.8355      0.00000

 k-point  76 :       0.3125    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0080      1.00000
      2     -10.9290      1.00000
      3     -10.7793      1.00000
      4     -10.7649      1.00000
      5      -0.6194      1.00000
      6      -0.5368      1.00000
      7      -0.4919      1.00000
      8      -0.4442      1.00000
      9      -0.4121      1.00000
     10       0.6706      1.00000
     11       4.7129      0.91428
     12       5.3663     -0.00050
     13       5.7238      0.00000
     14       6.8781      0.00000
     15       7.8048      0.00000
     16       7.8673      0.00000
     17       8.9806      0.00000
     18       9.1291      0.00000

 k-point  77 :       0.3750    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0056      1.00000
      2     -10.9925      1.00000
      3     -10.7961      1.00000
      4     -10.7799      1.00000
      5      -0.5498      1.00000
      6      -0.5053      1.00000
      7      -0.4207      1.00000
      8      -0.4117      1.00000
      9      -0.3841      1.00000
     10       1.1463      1.00000
     11       4.1800      1.00002
     12       5.1598     -0.02091
     13       5.4263     -0.00010
     14       7.1246      0.00000
     15       7.8245      0.00000
     16       8.0475      0.00000
     17       9.1709      0.00000
     18       9.2969      0.00000

 k-point  78 :       0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0036      1.00000
      2     -11.0453      1.00000
      3     -10.8098      1.00000
      4     -10.7928      1.00000
      5      -0.4775      1.00000
      6      -0.4678      1.00000
      7      -0.3861      1.00000
      8      -0.3711      1.00000
      9      -0.3636      1.00000
     10       1.6541      1.00000
     11       3.6769      1.00000
     12       5.0079     -0.00914
     13       5.1886     -0.01478
     14       7.3838      0.00000
     15       7.9025      0.00000
     16       8.3254      0.00000
     17       8.8914      0.00000
     18       9.3192      0.00000

 k-point  79 :       0.5000    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0023      1.00000
      2     -11.0800      1.00000
      3     -10.8187      1.00000
      4     -10.8016      1.00000
      5      -0.4332      1.00000
      6      -0.4141      1.00000
      7      -0.3750      1.00000
      8      -0.3590      1.00000
      9      -0.3413      1.00000
     10       2.1595      1.00000
     11       3.1992      1.00000
     12       4.9265      0.14085
     13       5.0267     -0.02313
     14       7.6393      0.00000
     15       8.0923      0.00000
     16       8.4653      0.00000
     17       8.6593      0.00000
     18       9.0495      0.00000

 k-point  80 :      -0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0018      1.00000
      2     -11.0920      1.00000
      3     -10.8218      1.00000
      4     -10.8047      1.00000
      5      -0.4159      1.00000
      6      -0.3836      1.00000
      7      -0.3776      1.00000
      8      -0.3560      1.00000
      9      -0.3375      1.00000
     10       2.5323      1.00000
     11       2.8407      1.00000
     12       4.9101      0.19051
     13       4.9609      0.05785
     14       7.8424      0.00000
     15       8.0725      0.00000
     16       8.4963      0.00000
     17       8.5922      0.00000
     18       9.2596      0.00000

 k-point  81 :       0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0097      1.00000
      2     -10.8718      1.00000
      3     -10.7672      1.00000
      4     -10.7599      1.00000
      5      -0.6857      1.00000
      6      -0.5969      1.00000
      7      -0.5946      1.00000
      8      -0.4404      1.00000
      9      -0.4291      1.00000
     10       0.4002      1.00000
     11       5.0788     -0.03541
     12       5.5700      0.00000
     13       6.1682      0.00000
     14       6.4526      0.00000
     15       7.9324      0.00000
     16       8.2668      0.00000
     17       8.6549      0.00000
     18       8.7673      0.00000

 k-point  82 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0076      1.00000
      2     -10.9231      1.00000
      3     -10.7865      1.00000
      4     -10.7730      1.00000
      5      -0.6515      1.00000
      6      -0.5891      1.00000
      7      -0.5298      1.00000
      8      -0.4129      1.00000
      9      -0.3960      1.00000
     10       0.7591      1.00000
     11       4.6284      1.02614
     12       5.3295     -0.00118
     13       5.9641      0.00000
     14       6.6306      0.00000
     15       8.0115      0.00000
     16       8.2654      0.00000
     17       8.8818      0.00000
     18       9.0547      0.00000

 k-point  83 :       0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0054      1.00000
      2     -10.9759      1.00000
      3     -10.8063      1.00000
      4     -10.7875      1.00000
      5      -0.5980      1.00000
      6      -0.5646      1.00000
      7      -0.4628      1.00000
      8      -0.3853      1.00000
      9      -0.3697      1.00000
     10       1.1719      1.00000
     11       4.1867      1.00003
     12       5.1402     -0.02542
     13       5.7094      0.00000
     14       6.8694      0.00000
     15       8.1949      0.00000
     16       8.2086      0.00000
     17       9.0887      0.00000
     18       9.2435      0.00000

 k-point  84 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0034      1.00000
      2     -11.0221      1.00000
      3     -10.8245      1.00000
      4     -10.8004      1.00000
      5      -0.5350      1.00000
      6      -0.5259      1.00000
      7      -0.4116      1.00000
      8      -0.3664      1.00000
      9      -0.3523      1.00000
     10       1.6157      1.00000
     11       3.7640      1.00000
     12       5.0200     -0.01890
     13       5.4651     -0.00003
     14       7.1287      0.00000
     15       8.2122      0.00000
     16       8.4448      0.00000
     17       8.8620      0.00000
     18       9.2796      0.00000

 k-point  85 :       0.5000    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0020      1.00000
      2     -11.0552      1.00000
      3     -10.8391      1.00000
      4     -10.8093      1.00000
      5      -0.4851      1.00000
      6      -0.4681      1.00000
      7      -0.3845      1.00000
      8      -0.3653      1.00000
      9      -0.3395      1.00000
     10       2.0669      1.00000
     11       3.3550      1.00000
     12       4.9642      0.05131
     13       5.2687     -0.00410
     14       7.3791      0.00000
     15       8.3001      0.00000
     16       8.4949      0.00000
     17       8.7180      0.00000
     18       9.0445      0.00000

 k-point  86 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0013      1.00000
      2     -11.0708      1.00000
      3     -10.8478      1.00000
      4     -10.8126      1.00000
      5      -0.4424      1.00000
      6      -0.4343      1.00000
      7      -0.3825      1.00000
      8      -0.3692      1.00000
      9      -0.3353      1.00000
     10       2.5015      1.00000
     11       2.9515      1.00000
     12       4.9457      0.09077
     13       5.1439     -0.02457
     14       7.6355      0.00000
     15       8.0524      0.00000
     16       8.5486      0.00000
     17       8.6756      0.00000
     18       9.1738      0.00000

 k-point  87 :      -0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0014      1.00000
      2     -11.0671      1.00000
      3     -10.8492      1.00000
      4     -10.8099      1.00000
      5      -0.4613      1.00000
      6      -0.4251      1.00000
      7      -0.3927      1.00000
      8      -0.3525      1.00000
      9      -0.3398      1.00000
     10       2.4671      1.00000
     11       2.9859      1.00000
     12       4.9381      0.10938
     13       5.1073     -0.03232
     14       7.7341      0.00000
     15       7.9696      0.00000
     16       8.3018      0.00000
     17       8.9438      0.00000
     18       9.2284      0.00000

 k-point  88 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0024      1.00000
      2     -11.0448      1.00000
      3     -10.8426      1.00000
      4     -10.8018      1.00000
      5      -0.5146      1.00000
      6      -0.4588      1.00000
      7      -0.3773      1.00000
      8      -0.3644      1.00000
      9      -0.3431      1.00000
     10       2.0037      1.00000
     11       3.4243      1.00000
     12       4.9486      0.08406
     13       5.1655     -0.01962
     14       7.4373      0.00000
     15       8.1646      0.00000
     16       8.3824      0.00000
     17       8.7996      0.00000
     18       9.3424      0.00000

 k-point  89 :      -0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0041      1.00000
      2     -11.0073      1.00000
      3     -10.8284      1.00000
      4     -10.7897      1.00000
      5      -0.5744      1.00000
      6      -0.4971      1.00000
      7      -0.3940      1.00000
      8      -0.3746      1.00000
      9      -0.3662      1.00000
     10       1.5155      1.00000
     11       3.8911      1.00000
     12       5.0057     -0.00709
     13       5.3118     -0.00174
     14       7.1476      0.00000
     15       8.1735      0.00000
     16       8.4527      0.00000
     17       8.8331      0.00000
     18       9.2620      0.00000

 k-point  90 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0062      1.00000
      2     -10.9600      1.00000
      3     -10.8081      1.00000
      4     -10.7755      1.00000
      5      -0.6271      1.00000
      6      -0.5294      1.00000
      7      -0.4266      1.00000
      8      -0.4237      1.00000
      9      -0.3822      1.00000
     10       1.0405      1.00000
     11       4.3808      1.00332
     12       5.1230     -0.02927
     13       5.5338      0.00000
     14       6.9014      0.00000
     15       8.1381      0.00000
     16       8.2440      0.00000
     17       8.9539      0.00000
     18       9.1938      0.00000

 k-point  91 :      -0.1250    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0084      1.00000
      2     -10.9099      1.00000
      3     -10.7845      1.00000
      4     -10.7617      1.00000
      5      -0.6626      1.00000
      6      -0.5509      1.00000
      7      -0.4969      1.00000
      8      -0.4521      1.00000
      9      -0.4098      1.00000
     10       0.6116      1.00000
     11       4.8713      0.33081
     12       5.3055     -0.00198
     13       5.8056      0.00000
     14       6.7273      0.00000
     15       7.8667      0.00000
     16       8.2076      0.00000
     17       8.7914      0.00000
     18       8.9811      0.00000

 k-point  92 :       0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0067      1.00000
      2     -10.9343      1.00000
      3     -10.7929      1.00000
      4     -10.7855      1.00000
      5      -0.6625      1.00000
      6      -0.6333      1.00000
      7      -0.5629      1.00000
      8      -0.3788      1.00000
      9      -0.3747      1.00000
     10       0.9175      1.00000
     11       4.4574      1.01206
     12       5.3548     -0.00066
     13       6.1749      0.00000
     14       6.4632      0.00000
     15       8.2360      0.00000
     16       8.5798      0.00000
     17       8.7674      0.00000
     18       9.0559      0.00000

 k-point  93 :       0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0047      1.00000
      2     -10.9730      1.00000
      3     -10.8139      1.00000
      4     -10.7989      1.00000
      5      -0.6291      1.00000
      6      -0.6229      1.00000
      7      -0.5126      1.00000
      8      -0.3556      1.00000
      9      -0.3508      1.00000
     10       1.2342      1.00000
     11       4.1833      1.00002
     12       5.1627     -0.02025
     13       6.0234      0.00000
     14       6.6808      0.00000
     15       8.3626      0.00000
     16       8.5707      0.00000
     17       8.9392      0.00000
     18       9.2291      0.00000

 k-point  94 :       0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0029      1.00000
      2     -11.0068      1.00000
      3     -10.8370      1.00000
      4     -10.8113      1.00000
      5      -0.5950      1.00000
      6      -0.5788      1.00000
      7      -0.4669      1.00000
      8      -0.3429      1.00000
      9      -0.3326      1.00000
     10       1.5648      1.00000
     11       3.9271      1.00000
     12       5.0321     -0.02598
     13       5.8111      0.00000
     14       6.9430      0.00000
     15       8.5338      0.00000
     16       8.5763      0.00000
     17       8.8514      0.00000
     18       9.2011      0.00000

 k-point  95 :       0.5000    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0015      1.00000
      2     -11.0309      1.00000
      3     -10.8596      1.00000
      4     -10.8198      1.00000
      5      -0.5517      1.00000
      6      -0.5231      1.00000
      7      -0.4369      1.00000
      8      -0.3465      1.00000
      9      -0.3200      1.00000
     10       1.8961      1.00000
     11       3.6700      1.00000
     12       4.9783      0.02710
     13       5.5951      0.00000
     14       7.1727      0.00000
     15       8.4943      0.00000
     16       8.6000      0.00000
     17       8.8139      0.00000
     18       9.1503      0.00000

 k-point  96 :      -0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0006      1.00000
      2     -11.0429      1.00000
      3     -10.8776      1.00000
      4     -10.8231      1.00000
      5      -0.5038      1.00000
      6      -0.4867      1.00000
      7      -0.4121      1.00000
      8      -0.3662      1.00000
      9      -0.3182      1.00000
     10       2.2100      1.00000
     11       3.4056      1.00000
     12       4.9559      0.06800
     13       5.4160     -0.00014
     14       7.3305      0.00000
     15       8.1868      0.00000
     16       8.6573      0.00000
     17       8.7946      0.00000
     18       9.2216      0.00000

 k-point  97 :      -0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0005      1.00000
      2     -11.0425      1.00000
      3     -10.8865      1.00000
      4     -10.8207      1.00000
      5      -0.5078      1.00000
      6      -0.4464      1.00000
      7      -0.3970      1.00000
      8      -0.3733      1.00000
      9      -0.3268      1.00000
     10       2.4283      1.00000
     11       3.1949      1.00000
     12       4.9129      0.18168
     13       5.2998     -0.00223
     14       7.5100      0.00000
     15       7.8863      0.00000
     16       8.5243      0.00000
     17       9.0681      0.00000
     18       9.4124      0.00000

 k-point  98 :      -0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0012      1.00000
      2     -11.0317      1.00000
      3     -10.8831      1.00000
      4     -10.8132      1.00000
      5      -0.5443      1.00000
      6      -0.4387      1.00000
      7      -0.4015      1.00000
      8      -0.3492      1.00000
      9      -0.3418      1.00000
     10       2.3081      1.00000
     11       3.2777      1.00000
     12       4.8656      0.35357
     13       5.2544     -0.00532
     14       7.5084      0.00000
     15       7.8970      0.00000
     16       8.5130      0.00000
     17       9.1702      0.00000
     18       9.3778      0.00000

 k-point  99 :      -0.2500    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0025      1.00000
      2     -11.0131      1.00000
      3     -10.8665      1.00000
      4     -10.8019      1.00000
      5      -0.5847      1.00000
      6      -0.4761      1.00000
      7      -0.3768      1.00000
      8      -0.3701      1.00000
      9      -0.3438      1.00000
     10       1.9202      1.00000
     11       3.6036      1.00000
     12       4.8682      0.34294
     13       5.2810     -0.00325
     14       7.2391      0.00000
     15       8.3170      0.00000
     16       8.5615      0.00000
     17       8.8884      0.00000
     18       9.1321      0.00000

 k-point 100 :      -0.1875    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0043      1.00000
      2     -10.9887      1.00000
      3     -10.8395      1.00000
      4     -10.7886      1.00000
      5      -0.6149      1.00000
      6      -0.5084      1.00000
      7      -0.3990      1.00000
      8      -0.3762      1.00000
      9      -0.3669      1.00000
     10       1.4712      1.00000
     11       3.9944      1.00000
     12       4.9515      0.07744
     13       5.3773     -0.00038
     14       7.0265      0.00000
     15       8.4861      0.00000
     16       8.5243      0.00000
     17       8.7929      0.00000
     18       9.0345      0.00000

 k-point 101 :       0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0037      1.00000
      2     -10.9848      1.00000
      3     -10.8181      1.00000
      4     -10.8114      1.00000
      5      -0.6698      1.00000
      6      -0.6414      1.00000
      7      -0.5509      1.00000
      8      -0.3294      1.00000
      9      -0.3286      1.00000
     10       1.2961      1.00000
     11       4.2284      1.00009
     12       5.1853     -0.01542
     13       6.3092      0.00000
     14       6.5932      0.00000
     15       8.5003      0.00000
     16       8.8329      0.00000
     17       8.8714      0.00000
     18       9.2715      0.00000

 k-point 102 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0021      1.00000
      2     -11.0068      1.00000
      3     -10.8405      1.00000
      4     -10.8233      1.00000
      5      -0.6548      1.00000
      6      -0.6099      1.00000
      7      -0.5203      1.00000
      8      -0.3194      1.00000
      9      -0.3101      1.00000
     10       1.4896      1.00000
     11       4.1785      1.00002
     12       5.0485     -0.03216
     13       6.1786      0.00000
     14       6.8350      0.00000
     15       8.6748      0.00000
     16       8.7874      0.00000
     17       8.8757      0.00000
     18       9.1752      0.00000

 k-point 103 :       0.5000    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0008      1.00000
      2     -11.0191      1.00000
      3     -10.8688      1.00000
      4     -10.8313      1.00000
      5      -0.6197      1.00000
      6      -0.5696      1.00000
      7      -0.4932      1.00000
      8      -0.3232      1.00000
      9      -0.2995      1.00000
     10       1.6949      1.00000
     11       4.0984      1.00000
     12       4.9780      0.02758
     13       5.9625      0.00000
     14       7.0464      0.00000
     15       8.5628      0.00000
     16       8.8103      0.00000
     17       8.9181      0.00000
     18       9.3784      0.00000

 k-point 104 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0000      1.00000
      2     -11.0199      1.00000
      3     -10.8988      1.00000
      4     -10.8343      1.00000
      5      -0.5705      1.00000
      6      -0.5394      1.00000
      7      -0.4628      1.00000
      8      -0.3416      1.00000
      9      -0.2986      1.00000
     10       1.9201      1.00000
     11       3.9434      1.00000
     12       4.9550      0.07000
     13       5.7299      0.00000
     14       7.1211      0.00000
     15       8.2961      0.00000
     16       8.8536      0.00000
     17       8.9506      0.00000
     18       9.3254      0.00000

 k-point 105 :      -0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.9998      1.00000
      2     -11.0122      1.00000
      3     -10.9224      1.00000
      4     -10.8320      1.00000
      5      -0.5472      1.00000
      6      -0.5056      1.00000
      7      -0.4166      1.00000
      8      -0.3715      1.00000
      9      -0.3070      1.00000
     10       2.1521      1.00000
     11       3.7151      1.00000
     12       4.8950      0.24191
     13       5.5439      0.00000
     14       7.1908      0.00000
     15       7.9774      0.00000
     16       8.8148      0.00000
     17       9.1975      0.00000
     18       9.3816      0.00000

 k-point 106 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0002      1.00000
      2     -11.0069      1.00000
      3     -10.9260      1.00000
      4     -10.8250      1.00000
      5      -0.5628      1.00000
      6      -0.4504      1.00000
      7      -0.4080      1.00000
      8      -0.3716      1.00000
      9      -0.3237      1.00000
     10       2.3223      1.00000
     11       3.4709      1.00000
     12       4.8152      0.56412
     13       5.4135     -0.00015
     14       7.4272      0.00000
     15       7.6680      0.00000
     16       8.8445      0.00000
     17       9.1711      0.00000
     18       9.4209      0.00000

 k-point 107 :      -0.2500    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0011      1.00000
      2     -11.0106      1.00000
      3     -10.9030      1.00000
      4     -10.8144      1.00000
      5      -0.5789      1.00000
      6      -0.4451      1.00000
      7      -0.4039      1.00000
      8      -0.3465      1.00000
      9      -0.3446      1.00000
     10       2.2535      1.00000
     11       3.4098      1.00000
     12       4.7980      0.63496
     13       5.3222     -0.00139
     14       7.4094      0.00000
     15       7.8385      0.00000
     16       8.8315      0.00000
     17       9.0257      0.00000
     18       9.3540      0.00000

 k-point 108 :       0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -31.0013      1.00000
      2     -11.0185      1.00000
      3     -10.8391      1.00000
      4     -10.8339      1.00000
      5      -0.7007      1.00000
      6      -0.6235      1.00000
      7      -0.5614      1.00000
      8      -0.2989      1.00000
      9      -0.2922      1.00000
     10       1.4144      1.00000
     11       4.4646      1.01334
     12       5.0625     -0.03477
     13       6.5080      0.00000
     14       6.8251      0.00000
     15       8.6991      0.00000
     16       8.9011      0.00000
     17       9.0065      0.00000
     18       9.1908      0.00000

 k-point 109 :       0.5000    0.3750    0.0625
  band No.  band energies     occupation
      1     -31.0002      1.00000
      2     -11.0245      1.00000
      3     -10.8625      1.00000
      4     -10.8420      1.00000
      5      -0.6791      1.00000
      6      -0.6011      1.00000
      7      -0.5442      1.00000
      8      -0.3009      1.00000
      9      -0.2825      1.00000
     10       1.5153      1.00000
     11       4.5493      1.03158
     12       4.9794      0.02544
     13       6.3157      0.00000
     14       7.0302      0.00000
     15       8.6120      0.00000
     16       8.9936      0.00000
     17       9.0325      0.00000
     18       9.1178      0.00000

 k-point 110 :      -0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.9995      1.00000
      2     -11.0178      1.00000
      3     -10.8958      1.00000
      4     -10.8445      1.00000
      5      -0.6366      1.00000
      6      -0.5801      1.00000
      7      -0.5135      1.00000
      8      -0.3161      1.00000
      9      -0.2814      1.00000
     10       1.6696      1.00000
     11       4.4866      1.01773
     12       4.9644      0.05102
     13       6.0203      0.00000
     14       7.0740      0.00000
     15       8.4016      0.00000
     16       9.0242      0.00000
     17       9.0720      0.00000
     18       9.3006      0.00000

 k-point 111 :      -0.3750    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.9993      1.00000
      2     -10.9978      1.00000
      3     -10.9342      1.00000
      4     -10.8420      1.00000
      5      -0.5852      1.00000
      6      -0.5644      1.00000
      7      -0.4669      1.00000
      8      -0.3420      1.00000
      9      -0.2887      1.00000
     10       1.8768      1.00000
     11       4.2683      1.00026
     12       4.9140      0.17807
     13       5.7676      0.00000
     14       7.0362      0.00000
     15       8.1162      0.00000
     16       9.0692      0.00000
     17       9.1892      0.00000
     18       9.5084      0.00000

 k-point 112 :      -0.3125    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.9995      1.00000
      2     -10.9739      1.00000
      3     -10.9650      1.00000
      4     -10.8351      1.00000
      5      -0.5716      1.00000
      6      -0.5096      1.00000
      7      -0.4159      1.00000
      8      -0.3740      1.00000
      9      -0.3039      1.00000
     10       2.1155      1.00000
     11       3.8930      1.00000
     12       4.8320      0.49314
     13       5.5902      0.00000
     14       7.1374      0.00000
     15       7.8530      0.00000
     16       9.0731      0.00000
     17       9.1453      0.00000
     18       9.4142      0.00000

 k-point 113 :       0.5000    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.9997      1.00000
      2     -11.0365      1.00000
      3     -10.8529      1.00000
      4     -10.8493      1.00000
      5      -0.7211      1.00000
      6      -0.6150      1.00000
      7      -0.5835      1.00000
      8      -0.2819      1.00000
      9      -0.2716      1.00000
     10       1.3903      1.00000
     11       4.9083      0.19628
     12       4.9883      0.01273
     13       6.6440      0.00000
     14       7.0805      0.00000
     15       8.6878      0.00000
     16       9.1011      0.00000
     17       9.1644      0.00000
     18       9.2002      0.00000

 k-point 114 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.9992      1.00000
      2     -11.0308      1.00000
      3     -10.8755      1.00000
      4     -10.8521      1.00000
      5      -0.6921      1.00000
      6      -0.6069      1.00000
      7      -0.5579      1.00000
      8      -0.2941      1.00000
      9      -0.2698      1.00000
     10       1.4810      1.00000
     11       4.8728      0.32499
     12       5.0258     -0.02259
     13       6.2967      0.00000
     14       7.1735      0.00000
     15       8.5341      0.00000
     16       9.1645      0.00000
     17       9.2237      0.00000
     18       9.2655      0.00000

 k-point 115 :      -0.3750    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.9990      1.00000
      2     -11.0145      1.00000
      3     -10.9074      1.00000
      4     -10.8491      1.00000
      5      -0.6424      1.00000
      6      -0.5918      1.00000
      7      -0.5169      1.00000
      8      -0.3143      1.00000
      9      -0.2753      1.00000
     10       1.6464      1.00000
     11       4.6846      0.96961
     12       4.9900      0.01048
     13       5.9709      0.00000
     14       7.0834      0.00000
     15       8.3152      0.00000
     16       9.2083      0.00000
     17       9.2188      0.00000
     18       9.2609      0.00000

 k-point 116 :      -0.4375    0.5000    0.0625
  band No.  band energies     occupation
      1     -30.9991      1.00000
      2     -11.0420      1.00000
      3     -10.8578      1.00000
      4     -10.8548      1.00000
      5      -0.7286      1.00000
      6      -0.6172      1.00000
      7      -0.5910      1.00000
      8      -0.2775      1.00000
      9      -0.2662      1.00000
     10       1.3682      1.00000
     11       4.9632      0.05331
     12       5.1423     -0.02495
     13       6.6596      0.00000
     14       7.2032      0.00000
     15       8.6723      0.00000
     16       9.2288      0.00000
     17       9.2525      0.00000
     18       9.2831      0.00000

 k-point 117 :       0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0057      1.00000
      2     -10.9602      1.00000
      3     -10.8117      1.00000
      4     -10.7852      1.00000
      5      -0.6376      1.00000
      6      -0.5806      1.00000
      7      -0.4685      1.00000
      8      -0.3877      1.00000
      9      -0.3694      1.00000
     10       1.1173      1.00000
     11       4.2857      1.00040
     12       5.1337     -0.02690
     13       5.7860      0.00000
     14       6.7578      0.00000
     15       8.2441      0.00000
     16       8.5066      0.00000
     17       8.8699      0.00000
     18       9.2263      0.00000

 k-point 118 :       0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0037      1.00000
      2     -10.9951      1.00000
      3     -10.8368      1.00000
      4     -10.7990      1.00000
      5      -0.6051      1.00000
      6      -0.5555      1.00000
      7      -0.4160      1.00000
      8      -0.3638      1.00000
      9      -0.3562      1.00000
     10       1.5112      1.00000
     11       3.9447      1.00000
     12       4.9904      0.00999
     13       5.5872      0.00000
     14       6.9750      0.00000
     15       8.5026      0.00000
     16       8.5471      0.00000
     17       8.8100      0.00000
     18       9.1225      0.00000

 k-point 119 :       0.5000    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0021      1.00000
      2     -11.0234      1.00000
      3     -10.8578      1.00000
      4     -10.8117      1.00000
      5      -0.5599      1.00000
      6      -0.5167      1.00000
      7      -0.3856      1.00000
      8      -0.3627      1.00000
      9      -0.3391      1.00000
     10       1.9094      1.00000
     11       3.6133      1.00000
     12       4.9265      0.14064
     13       5.4189     -0.00013
     14       7.2362      0.00000
     15       8.3893      0.00000
     16       8.4937      0.00000
     17       8.8637      0.00000
     18       9.1947      0.00000

 k-point 120 :      -0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0010      1.00000
      2     -11.0419      1.00000
      3     -10.8717      1.00000
      4     -10.8205      1.00000
      5      -0.5146      1.00000
      6      -0.4709      1.00000
      7      -0.3894      1.00000
      8      -0.3752      1.00000
      9      -0.3239      1.00000
     10       2.2636      1.00000
     11       3.3139      1.00000
     12       4.9257      0.14293
     13       5.3068     -0.00193
     14       7.4686      0.00000
     15       8.0725      0.00000
     16       8.5220      0.00000
     17       8.9527      0.00000
     18       9.4388      0.00000

 k-point 121 :      -0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0006      1.00000
      2     -11.0483      1.00000
      3     -10.8766      1.00000
      4     -10.8237      1.00000
      5      -0.4920      1.00000
      6      -0.4335      1.00000
      7      -0.4146      1.00000
      8      -0.3800      1.00000
      9      -0.3179      1.00000
     10       2.4418      1.00000
     11       3.1571      1.00000
     12       4.9367      0.11299
     13       5.2670     -0.00424
     14       7.5633      0.00000
     15       7.9446      0.00000
     16       8.6951      0.00000
     17       8.7071      0.00000
     18       9.4289      0.00000

 k-point 122 :       0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0031      1.00000
      2     -10.9961      1.00000
      3     -10.8384      1.00000
      4     -10.8122      1.00000
      5      -0.6170      1.00000
      6      -0.6113      1.00000
      7      -0.4700      1.00000
      8      -0.3399      1.00000
      9      -0.3330      1.00000
     10       1.5051      1.00000
     11       4.0339      1.00000
     12       5.0156     -0.01563
     13       5.8970      0.00000
     14       6.8683      0.00000
     15       8.6157      0.00000
     16       8.7697      0.00000
     17       8.7775      0.00000
     18       9.1102      0.00000

 k-point 123 :       0.5000    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0015      1.00000
      2     -11.0121      1.00000
      3     -10.8642      1.00000
      4     -10.8254      1.00000
      5      -0.5909      1.00000
      6      -0.5798      1.00000
      7      -0.4376      1.00000
      8      -0.3445      1.00000
      9      -0.3140      1.00000
     10       1.7737      1.00000
     11       3.9027      1.00000
     12       4.9197      0.16078
     13       5.7184      0.00000
     14       7.1182      0.00000
     15       8.4367      0.00000
     16       8.7889      0.00000
     17       8.9320      0.00000
     18       9.2525      0.00000

 k-point 124 :      -0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0005      1.00000
      2     -11.0196      1.00000
      3     -10.8882      1.00000
      4     -10.8347      1.00000
      5      -0.5607      1.00000
      6      -0.5342      1.00000
      7      -0.4222      1.00000
      8      -0.3670      1.00000
      9      -0.3020      1.00000
     10       2.0214      1.00000
     11       3.7574      1.00000
     12       4.9031      0.21384
     13       5.5363      0.00000
     14       7.3215      0.00000
     15       8.1751      0.00000
     16       8.7680      0.00000
     17       8.9805      0.00000
     18       9.3470      0.00000

 k-point 125 :      -0.3750    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.9999      1.00000
      2     -11.0199      1.00000
      3     -10.9052      1.00000
      4     -10.8377      1.00000
      5      -0.5424      1.00000
      6      -0.4817      1.00000
      7      -0.4116      1.00000
      8      -0.4013      1.00000
      9      -0.2989      1.00000
     10       2.2139      1.00000
     11       3.6083      1.00000
     12       4.9093      0.19319
     13       5.4054     -0.00018
     14       7.3975      0.00000
     15       8.0529      0.00000
     16       8.8052      0.00000
     17       8.8567      0.00000
     18       9.4781      0.00000

 k-point 126 :      -0.3125    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0001      1.00000
      2     -11.0172      1.00000
      3     -10.9084      1.00000
      4     -10.8343      1.00000
      5      -0.5507      1.00000
      6      -0.4483      1.00000
      7      -0.4298      1.00000
      8      -0.3907      1.00000
      9      -0.3046      1.00000
     10       2.2786      1.00000
     11       3.5210      1.00000
     12       4.8691      0.33956
     13       5.3740     -0.00041
     14       7.4839      0.00000
     15       7.8672      0.00000
     16       8.7594      0.00000
     17       9.0540      0.00000
     18       9.5323      0.00000

 k-point 127 :      -0.2500    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0008      1.00000
      2     -11.0138      1.00000
      3     -10.8947      1.00000
      4     -10.8252      1.00000
      5      -0.5746      1.00000
      6      -0.4920      1.00000
      7      -0.3919      1.00000
      8      -0.3740      1.00000
      9      -0.3189      1.00000
     10       2.1454      1.00000
     11       3.5694      1.00000
     12       4.8333      0.48776
     13       5.4117     -0.00016
     14       7.3981      0.00000
     15       7.9580      0.00000
     16       8.7837      0.00000
     17       9.0985      0.00000
     18       9.4207      0.00000

 k-point 128 :      -0.1875    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0021      1.00000
      2     -11.0075      1.00000
      3     -10.8684      1.00000
      4     -10.8126      1.00000
      5      -0.5962      1.00000
      6      -0.5303      1.00000
      7      -0.3865      1.00000
      8      -0.3618      1.00000
      9      -0.3394      1.00000
     10       1.8577      1.00000
     11       3.7307      1.00000
     12       4.8722      0.32717
     13       5.4842     -0.00002
     14       7.1607      0.00000
     15       8.3537      0.00000
     16       8.7673      0.00000
     17       8.8936      0.00000
     18       9.0591      0.00000

 k-point 129 :       0.5000    0.3750    0.1250
  band No.  band energies     occupation
      1     -31.0009      1.00000
      2     -11.0150      1.00000
      3     -10.8607      1.00000
      4     -10.8386      1.00000
      5      -0.6375      1.00000
      6      -0.6043      1.00000
      7      -0.4942      1.00000
      8      -0.3228      1.00000
      9      -0.2943      1.00000
     10       1.6291      1.00000
     11       4.2442      1.00014
     12       4.9380      0.10961
     13       6.0158      0.00000
     14       7.0758      0.00000
     15       8.5057      0.00000
     16       8.9548      0.00000
     17       8.9740      0.00000
     18       9.1015      0.00000

 k-point 130 :      -0.4375    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.9999      1.00000
      2     -11.0128      1.00000
      3     -10.8877      1.00000
      4     -10.8493      1.00000
      5      -0.6010      1.00000
      6      -0.5897      1.00000
      7      -0.4704      1.00000
      8      -0.3422      1.00000
      9      -0.2835      1.00000
     10       1.7901      1.00000
     11       4.2578      1.00020
     12       4.8867      0.27182
     13       5.7427      0.00000
     14       7.3032      0.00000
     15       8.2872      0.00000
     16       8.9785      0.00000
     17       9.0483      0.00000
     18       9.4927      0.00000

 k-point 131 :      -0.3750    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.9994      1.00000
      2     -11.0004      1.00000
      3     -10.9193      1.00000
      4     -10.8520      1.00000
      5      -0.5808      1.00000
      6      -0.5461      1.00000
      7      -0.4477      1.00000
      8      -0.3737      1.00000
      9      -0.2815      1.00000
     10       1.9676      1.00000
     11       4.1512      1.00001
     12       4.8922      0.25182
     13       5.4879     -0.00002
     14       7.3790      0.00000
     15       8.1744      0.00000
     16       8.9512      0.00000
     17       9.0279      0.00000
     18       9.4186      0.00000

 k-point 132 :      -0.3125    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.9994      1.00000
      2     -10.9855      1.00000
      3     -10.9431      1.00000
      4     -10.8478      1.00000
      5      -0.5770      1.00000
      6      -0.4879      1.00000
      7      -0.4196      1.00000
      8      -0.4134      1.00000
      9      -0.2868      1.00000
     10       2.1320      1.00000
     11       3.9383      1.00000
     12       4.8420      0.45096
     13       5.3998     -0.00021
     14       7.4310      0.00000
     15       7.9214      0.00000
     16       9.0050      0.00000
     17       9.1343      0.00000
     18       9.4040      0.00000

 k-point 133 :      -0.2500    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.9999      1.00000
      2     -10.9958      1.00000
      3     -10.9291      1.00000
      4     -10.8382      1.00000
      5      -0.5787      1.00000
      6      -0.4558      1.00000
      7      -0.4334      1.00000
      8      -0.3919      1.00000
      9      -0.3005      1.00000
     10       2.2199      1.00000
     11       3.6962      1.00000
     12       4.7973      0.63789
     13       5.4095     -0.00017
     14       7.6157      0.00000
     15       7.6300      0.00000
     16       8.9969      0.00000
     17       9.0903      0.00000
     18       9.5063      0.00000

 k-point 134 :      -0.4375    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.9995      1.00000
      2     -11.0208      1.00000
      3     -10.8753      1.00000
      4     -10.8591      1.00000
      5      -0.6545      1.00000
      6      -0.6067      1.00000
      7      -0.5176      1.00000
      8      -0.3168      1.00000
      9      -0.2719      1.00000
     10       1.6025      1.00000
     11       4.7131      0.91384
     12       4.8931      0.24851
     13       5.9522      0.00000
     14       7.3202      0.00000
     15       8.4307      0.00000
     16       9.1033      0.00000
     17       9.1262      0.00000
     18       9.4392      0.00000

 k-point 135 :      -0.3750    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.9991      1.00000
      2     -11.0064      1.00000
      3     -10.9036      1.00000
      4     -10.8636      1.00000
      5      -0.6125      1.00000
      6      -0.6020      1.00000
      7      -0.4872      1.00000
      8      -0.3427      1.00000
      9      -0.2698      1.00000
     10       1.7473      1.00000
     11       4.6796      0.97726
     12       4.9099      0.19117
     13       5.5333      0.00000
     14       7.4637      0.00000
     15       8.3271      0.00000
     16       9.0683      0.00000
     17       9.2270      0.00000
     18       9.2759      0.00000

 k-point 136 :      -0.3125    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.9990      1.00000
      2     -10.9836      1.00000
      3     -10.9393      1.00000
      4     -10.8584      1.00000
      5      -0.5952      1.00000
      6      -0.5510      1.00000
      7      -0.4544      1.00000
      8      -0.3775      1.00000
      9      -0.2754      1.00000
     10       1.9344      1.00000
     11       4.3953      1.00436
     12       4.8764      0.31101
     13       5.3777     -0.00038
     14       7.4460      0.00000
     15       8.1170      0.00000
     16       9.1680      0.00000
     17       9.1716      0.00000
     18       9.2805      0.00000

 k-point 137 :      -0.3750    0.5000    0.1250
  band No.  band energies     occupation
      1     -30.9990      1.00000
      2     -11.0213      1.00000
      3     -10.8804      1.00000
      4     -10.8671      1.00000
      5      -0.6606      1.00000
      6      -0.6129      1.00000
      7      -0.5252      1.00000
      8      -0.3151      1.00000
      9      -0.2653      1.00000
     10       1.5792      1.00000
     11       4.8782      0.30391
     12       5.0222     -0.02032
     13       5.7928      0.00000
     14       7.4438      0.00000
     15       8.4810      0.00000
     16       9.0679      0.00000
     17       9.2493      0.00000
     18       9.2759      0.00000

 k-point 138 :      -0.4375    0.3750    0.1875
  band No.  band energies     occupation
      1     -31.0004      1.00000
      2     -11.0084      1.00000
      3     -10.8924      1.00000
      4     -10.8405      1.00000
      5      -0.5903      1.00000
      6      -0.5496      1.00000
      7      -0.4238      1.00000
      8      -0.3678      1.00000
      9      -0.2974      1.00000
     10       1.9594      1.00000
     11       3.9225      1.00000
     12       4.8344      0.48318
     13       5.5701      0.00000
     14       7.3667      0.00000
     15       8.0832      0.00000
     16       8.9633      0.00000
     17       9.0579      0.00000
     18       9.3991      0.00000

 k-point 139 :      -0.3750    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.9996      1.00000
      2     -10.9980      1.00000
      3     -10.9179      1.00000
      4     -10.8520      1.00000
      5      -0.5832      1.00000
      6      -0.5054      1.00000
      7      -0.4226      1.00000
      8      -0.4048      1.00000
      9      -0.2856      1.00000
     10       2.0924      1.00000
     11       3.9457      1.00000
     12       4.8298      0.50265
     13       5.3970     -0.00023
     14       7.5605      0.00000
     15       7.9464      0.00000
     16       8.9727      0.00000
     17       9.0744      0.00000
     18       9.4802      0.00000

 k-point 140 :      -0.3125    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.9994      1.00000
      2     -10.9908      1.00000
      3     -10.9303      1.00000
      4     -10.8562      1.00000
      5      -0.5793      1.00000
      6      -0.4576      1.00000
      7      -0.4528      1.00000
      8      -0.4224      1.00000
      9      -0.2808      1.00000
     10       2.1416      1.00000
     11       3.9525      1.00000
     12       4.8606      0.37383
     13       5.3018     -0.00214
     14       7.5653      0.00000
     15       8.0281      0.00000
     16       8.9366      0.00000
     17       9.0099      0.00000
     18       9.4870      0.00000

 k-point 141 :      -0.3750    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.9993      1.00000
      2     -10.9976      1.00000
      3     -10.9083      1.00000
      4     -10.8669      1.00000
      5      -0.6006      1.00000
      6      -0.5628      1.00000
      7      -0.4545      1.00000
      8      -0.3746      1.00000
      9      -0.2733      1.00000
     10       1.9047      1.00000
     11       4.4075      1.00543
     12       4.8186      0.54957
     13       5.3963     -0.00023
     14       7.6139      0.00000
     15       8.1416      0.00000
     16       9.0900      0.00000
     17       9.1279      0.00000
     18       9.3864      0.00000

 k-point 142 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.9990      1.00000
      2     -10.9755      1.00000
      3     -10.9358      1.00000
      4     -10.8731      1.00000
      5      -0.6020      1.00000
      6      -0.5127      1.00000
      7      -0.4424      1.00000
      8      -0.4181      1.00000
      9      -0.2696      1.00000
     10       2.0154      1.00000
     11       4.4111      1.00578
     12       4.8376      0.46943
     13       5.1247     -0.02890
     14       7.7644      0.00000
     15       8.1088      0.00000
     16       9.0820      0.00000
     17       9.1805      0.00000
     18       9.3329      0.00000

 k-point 143 :      -0.2500    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.9991      1.00000
      2     -10.9698      1.00000
      3     -10.9463      1.00000
      4     -10.8666      1.00000
      5      -0.5967      1.00000
      6      -0.4637      1.00000
      7      -0.4576      1.00000
      8      -0.4297      1.00000
      9      -0.2741      1.00000
     10       2.0879      1.00000
     11       4.2049      1.00004
     12       4.8105      0.58384
     13       5.2035     -0.01204
     14       7.8110      0.00000
     15       7.8899      0.00000
     16       9.1258      0.00000
     17       9.1526      0.00000
     18       9.3228      0.00000

 k-point 144 :      -0.3125    0.5000    0.1875
  band No.  band energies     occupation
      1     -30.9989      1.00000
      2     -10.9900      1.00000
      3     -10.9138      1.00000
      4     -10.8792      1.00000
      5      -0.6105      1.00000
      6      -0.5675      1.00000
      7      -0.4643      1.00000
      8      -0.3792      1.00000
      9      -0.2652      1.00000
     10       1.8719      1.00000
     11       4.8145      0.56714
     12       4.8950      0.24179
     13       5.0093     -0.01047
     14       7.7464      0.00000
     15       8.2828      0.00000
     16       9.0777      0.00000
     17       9.1899      0.00000
     18       9.4950      0.00000

 k-point 145 :      -0.2500    0.5000    0.2500
  band No.  band energies     occupation
      1     -30.9989      1.00000
      2     -10.9523      1.00000
      3     -10.9523      1.00000
      4     -10.8843      1.00000
      5      -0.6096      1.00000
      6      -0.4672      1.00000
      7      -0.4672      1.00000
      8      -0.4416      1.00000
      9      -0.2652      1.00000
     10       2.0355      1.00000
     11       4.6702      0.99028
     12       4.8169      0.55671
     13       4.8170      0.55668
     14       8.0394      0.00000
     15       8.0394      0.00000
     16       9.1949      0.00000
     17       9.2097      0.00000
     18       9.2435      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0147      1.00000
      2     -10.7180      1.00000
      3     -10.7180      1.00000
      4     -10.7180      1.00000
      5      -0.7398      1.00000
      6      -0.7398      1.00000
      7      -0.5548      1.00000
      8      -0.5544      1.00000
      9      -0.5544      1.00000
     10      -0.5544      1.00000
     11       6.5142      0.00000
     12       6.5142      0.00000
     13       6.5142      0.00000
     14       7.6544      0.00000
     15       7.6544      0.00000
     16       7.6547      0.00000
     17       7.6992      0.00000
     18       8.1669      0.00000

 k-point   2 :       0.0625    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0142      1.00000
      2     -10.7339      1.00000
      3     -10.7211      1.00000
      4     -10.7211      1.00000
      5      -0.7254      1.00000
      6      -0.7254      1.00000
      7      -0.5494      1.00000
      8      -0.5470      1.00000
      9      -0.5470      1.00000
     10      -0.4844      1.00000
     11       6.3115      0.00000
     12       6.4996      0.00000
     13       6.4996      0.00000
     14       7.3982      0.00000
     15       7.3987      0.00000
     16       7.6275      0.00000
     17       7.8693      0.00000
     18       8.4353      0.00000

 k-point   3 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0128      1.00000
      2     -10.7787      1.00000
      3     -10.7298      1.00000
      4     -10.7298      1.00000
      5      -0.6840      1.00000
      6      -0.6840      1.00000
      7      -0.5382      1.00000
      8      -0.5262      1.00000
      9      -0.5262      1.00000
     10      -0.2783      1.00000
     11       5.8785      0.00000
     12       6.3794      0.00000
     13       6.3794      0.00000
     14       7.1349      0.00000
     15       7.1350      0.00000
     16       7.5423      0.00000
     17       8.2264      0.00000
     18       8.8107      0.00000

 k-point   4 :       0.1875    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0106      1.00000
      2     -10.8444      1.00000
      3     -10.7428      1.00000
      4     -10.7428      1.00000
      5      -0.6208      1.00000
      6      -0.6208      1.00000
      7      -0.5200      1.00000
      8      -0.4932      1.00000
      9      -0.4932      1.00000
     10       0.0492      1.00000
     11       5.3697     -0.00046
     12       6.0642      0.00000
     13       6.0642      0.00000
     14       7.1305      0.00000
     15       7.1305      0.00000
     16       7.4522      0.00000
     17       8.6023      0.00000
     18       9.1209      0.00000

 k-point   5 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0082      1.00000
      2     -10.9197      1.00000
      3     -10.7581      1.00000
      4     -10.7581      1.00000
      5      -0.5455      1.00000
      6      -0.5455      1.00000
      7      -0.4970      1.00000
      8      -0.4577      1.00000
      9      -0.4577      1.00000
     10       0.4754      1.00000
     11       4.8393      0.46217
     12       5.6820      0.00000
     13       5.6820      0.00000
     14       7.2926      0.00000
     15       7.2926      0.00000
     16       7.4019      0.00000
     17       8.9533      0.00000
     18       9.3532      0.00000

 k-point   6 :       0.3125    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0056      1.00000
      2     -10.9928      1.00000
      3     -10.7732      1.00000
      4     -10.7732      1.00000
      5      -0.4685      1.00000
      6      -0.4663      1.00000
      7      -0.4663      1.00000
      8      -0.4203      1.00000
      9      -0.4203      1.00000
     10       0.9708      1.00000
     11       4.3135      1.00079
     12       5.3347     -0.00105
     13       5.3347     -0.00105
     14       7.4252      0.00000
     15       7.5397      0.00000
     16       7.5398      0.00000
     17       9.2339      0.00000
     18       9.4514      0.00000

 k-point   7 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0035      1.00000
      2     -11.0533      1.00000
      3     -10.7860      1.00000
      4     -10.7860      1.00000
      5      -0.4408      1.00000
      6      -0.3990      1.00000
      7      -0.3990      1.00000
      8      -0.3857      1.00000
      9      -0.3857      1.00000
     10       1.4983      1.00000
     11       3.8056      1.00000
     12       5.0633     -0.03485
     13       5.0633     -0.03485
     14       7.5431      0.00000
     15       7.8365      0.00000
     16       7.8366      0.00000
     17       9.2668      0.00000
     18       9.3055      0.00000

 k-point   8 :       0.4375    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0021      1.00000
      2     -11.0929      1.00000
      3     -10.7944      1.00000
      4     -10.7944      1.00000
      5      -0.4191      1.00000
      6      -0.3704      1.00000
      7      -0.3704      1.00000
      8      -0.3439      1.00000
      9      -0.3439      1.00000
     10       2.0030      1.00000
     11       3.3358      1.00000
     12       4.8909      0.25646
     13       4.8909      0.25646
     14       7.7490      0.00000
     15       8.1441      0.00000
     16       8.1455      0.00000
     17       8.9868      0.00000
     18       9.0139      0.00000

 k-point   9 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation
      1     -31.0016      1.00000
      2     -11.1067      1.00000
      3     -10.7974      1.00000
      4     -10.7974      1.00000
      5      -0.4128      1.00000
      6      -0.3628      1.00000
      7      -0.3628      1.00000
      8      -0.3272      1.00000
      9      -0.3272      1.00000
     10       2.2919      1.00000
     11       3.0631      1.00000
     12       4.8317      0.49423
     13       4.8317      0.49423
     14       7.8968      0.00000
     15       8.3277      0.00000
     16       8.3283      0.00000
     17       8.8237      0.00000
     18       8.8278      0.00000

 k-point  10 :       0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0140      1.00000
      2     -10.7367      1.00000
      3     -10.7232      1.00000
      4     -10.7232      1.00000
      5      -0.7353      1.00000
      6      -0.7129      1.00000
      7      -0.5619      1.00000
      8      -0.5383      1.00000
      9      -0.5383      1.00000
     10      -0.4541      1.00000
     11       6.3615      0.00000
     12       6.4470      0.00000
     13       6.4470      0.00000
     14       6.9799      0.00000
     15       7.7746      0.00000
     16       7.7751      0.00000
     17       7.8765      0.00000
     18       8.3218      0.00000

 k-point  11 :       0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0129      1.00000
      2     -10.7703      1.00000
      3     -10.7311      1.00000
      4     -10.7300      1.00000
      5      -0.7165      1.00000
      6      -0.6807      1.00000
      7      -0.5623      1.00000
      8      -0.5181      1.00000
      9      -0.5161      1.00000
     10      -0.2833      1.00000
     11       6.0273      0.00000
     12       6.3502      0.00000
     13       6.3613      0.00000
     14       6.6751      0.00000
     15       7.6237      0.00000
     16       7.7606      0.00000
     17       8.1688      0.00000
     18       8.4913      0.00000

 k-point  12 :       0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0110      1.00000
      2     -10.8274      1.00000
      3     -10.7434      1.00000
      4     -10.7414      1.00000
      5      -0.6727      1.00000
      6      -0.6215      1.00000
      7      -0.5516      1.00000
      8      -0.4906      1.00000
      9      -0.4843      1.00000
     10       0.0069      1.00000
     11       5.5256     -0.00001
     12       5.9846      0.00000
     13       6.1687      0.00000
     14       6.7627      0.00000
     15       7.4910      0.00000
     16       7.6704      0.00000
     17       8.5242      0.00000
     18       8.9555      0.00000

 k-point  13 :       0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0087      1.00000
      2     -10.8977      1.00000
      3     -10.7583      1.00000
      4     -10.7562      1.00000
      5      -0.6082      1.00000
      6      -0.5464      1.00000
      7      -0.5296      1.00000
      8      -0.4596      1.00000
      9      -0.4479      1.00000
     10       0.3982      1.00000
     11       4.9781      0.02731
     12       5.6259      0.00000
     13       5.8678      0.00000
     14       6.9451      0.00000
     15       7.5409      0.00000
     16       7.5955      0.00000
     17       8.8575      0.00000
     18       9.2139      0.00000

 k-point  14 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0062      1.00000
      2     -10.9696      1.00000
      3     -10.7734      1.00000
      4     -10.7723      1.00000
      5      -0.5321      1.00000
      6      -0.5002      1.00000
      7      -0.4677      1.00000
      8      -0.4259      1.00000
      9      -0.4119      1.00000
     10       0.8660      1.00000
     11       4.4376      1.00897
     12       5.3170     -0.00155
     13       5.5371      0.00000
     14       7.1621      0.00000
     15       7.6027      0.00000
     16       7.7209      0.00000
     17       9.1371      0.00000
     18       9.3406      0.00000

 k-point  15 :       0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0039      1.00000
      2     -11.0326      1.00000
      3     -10.7871      1.00000
      4     -10.7865      1.00000
      5      -0.4663      1.00000
      6      -0.4546      1.00000
      7      -0.4019      1.00000
      8      -0.3959      1.00000
      9      -0.3818      1.00000
     10       1.3789      1.00000
     11       3.9208      1.00000
     12       5.0768     -0.03545
     13       5.2416     -0.00665
     14       7.3727      0.00000
     15       7.7547      0.00000
     16       7.9727      0.00000
     17       9.1994      0.00000
     18       9.3073      0.00000

 k-point  16 :       0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0023      1.00000
      2     -11.0780      1.00000
      3     -10.7984      1.00000
      4     -10.7956      1.00000
      5      -0.4339      1.00000
      6      -0.3885      1.00000
      7      -0.3786      1.00000
      8      -0.3603      1.00000
      9      -0.3557      1.00000
     10       1.8967      1.00000
     11       3.4332      1.00000
     12       4.9226      0.15196
     13       5.0193     -0.01840
     14       7.5875      0.00000
     15       8.0377      0.00000
     16       8.2398      0.00000
     17       8.9587      0.00000
     18       9.0924      0.00000

 k-point  17 :       0.5000    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0015      1.00000
      2     -11.0998      1.00000
      3     -10.8047      1.00000
      4     -10.7994      1.00000
      5      -0.4150      1.00000
      6      -0.3691      1.00000
      7      -0.3607      1.00000
      8      -0.3434      1.00000
      9      -0.3382      1.00000
     10       2.3255      1.00000
     11       3.0296      1.00000
     12       4.8645      0.35781
     13       4.8943      0.24439
     14       7.8160      0.00000
     15       8.3204      0.00000
     16       8.3375      0.00000
     17       8.7020      0.00000
     18       8.8317      0.00000

 k-point  18 :      -0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0016      1.00000
      2     -11.0953      1.00000
      3     -10.8048      1.00000
      4     -10.7973      1.00000
      5      -0.4156      1.00000
      6      -0.3729      1.00000
      7      -0.3674      1.00000
      8      -0.3606      1.00000
      9      -0.3276      1.00000
     10       2.2153      1.00000
     11       3.1365      1.00000
     12       4.8807      0.29445
     13       4.9039      0.21104
     14       7.8235      0.00000
     15       8.0794      0.00000
     16       8.4364      0.00000
     17       8.6620      0.00000
     18       9.0228      0.00000

 k-point  19 :      -0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0027      1.00000
      2     -11.0651      1.00000
      3     -10.7989      1.00000
      4     -10.7897      1.00000
      5      -0.4360      1.00000
      6      -0.4217      1.00000
      7      -0.3886      1.00000
      8      -0.3709      1.00000
      9      -0.3504      1.00000
     10       1.7335      1.00000
     11       3.5920      1.00000
     12       4.9831      0.01983
     13       5.0326     -0.02624
     14       7.6525      0.00000
     15       7.7392      0.00000
     16       8.2339      0.00000
     17       8.9320      0.00000
     18       9.4018      0.00000

 k-point  20 :      -0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0046      1.00000
      2     -11.0132      1.00000
      3     -10.7877      1.00000
      4     -10.7776      1.00000
      5      -0.4929      1.00000
      6      -0.4656      1.00000
      7      -0.4197      1.00000
      8      -0.4024      1.00000
      9      -0.3901      1.00000
     10       1.2082      1.00000
     11       4.0988      1.00000
     12       5.1967     -0.01325
     13       5.2351     -0.00741
     14       7.4133      0.00000
     15       7.5518      0.00000
     16       7.9406      0.00000
     17       9.2855      0.00000
     18       9.4157      0.00000

 k-point  21 :      -0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0070      1.00000
      2     -10.9462      1.00000
      3     -10.7729      1.00000
      4     -10.7628      1.00000
      5      -0.5698      1.00000
      6      -0.4964      1.00000
      7      -0.4754      1.00000
      8      -0.4550      1.00000
      9      -0.4194      1.00000
     10       0.7018      1.00000
     11       4.6317      1.02441
     12       5.4890     -0.00002
     13       5.5090     -0.00001
     14       7.1293      0.00000
     15       7.5518      0.00000
     16       7.6778      0.00000
     17       9.0496      0.00000
     18       9.2771      0.00000

 k-point  22 :      -0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0095      1.00000
      2     -10.8739      1.00000
      3     -10.7565      1.00000
      4     -10.7476      1.00000
      5      -0.6403      1.00000
      6      -0.5540      1.00000
      7      -0.5214      1.00000
      8      -0.4912      1.00000
      9      -0.4547      1.00000
     10       0.2518      1.00000
     11       5.1790     -0.01671
     12       5.7665      0.00000
     13       5.9024      0.00000
     14       6.8997      0.00000
     15       7.4813      0.00000
     16       7.6295      0.00000
     17       8.7552      0.00000
     18       9.0440      0.00000

 k-point  23 :      -0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0117      1.00000
      2     -10.8073      1.00000
      3     -10.7411      1.00000
      4     -10.7343      1.00000
      5      -0.6929      1.00000
      6      -0.6284      1.00000
      7      -0.5395      1.00000
      8      -0.5219      1.00000
      9      -0.4903      1.00000
     10      -0.1114      1.00000
     11       5.7085      0.00000
     12       6.0358      0.00000
     13       6.3466      0.00000
     14       6.7396      0.00000
     15       7.3817      0.00000
     16       7.7338      0.00000
     17       8.4256      0.00000
     18       8.7316      0.00000

 k-point  24 :      -0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -31.0134      1.00000
      2     -10.7578      1.00000
      3     -10.7285      1.00000
      4     -10.7250      1.00000
      5      -0.7217      1.00000
      6      -0.6880      1.00000
      7      -0.5489      1.00000
      8      -0.5410      1.00000
      9      -0.5233      1.00000
     10      -0.3640      1.00000
     11       6.1232      0.00000
     12       6.2918      0.00000
     13       6.5581      0.00000
     14       6.9076      0.00000
     15       7.3997      0.00000
     16       7.7519      0.00000
     17       8.1033      0.00000
     18       8.4716      0.00000

 k-point  25 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0122      1.00000
      2     -10.7871      1.00000
      3     -10.7380      1.00000
      4     -10.7379      1.00000
      5      -0.7227      1.00000
      6      -0.6726      1.00000
      7      -0.5818      1.00000
      8      -0.4943      1.00000
      9      -0.4943      1.00000
     10      -0.1378      1.00000
     11       6.0327      0.00000
     12       6.0595      0.00000
     13       6.3291      0.00000
     14       6.3291      0.00000
     15       8.0486      0.00000
     16       8.0486      0.00000
     17       8.2296      0.00000
     18       8.2440      0.00000

 k-point  26 :       0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0106      1.00000
      2     -10.8295      1.00000
      3     -10.7494      1.00000
      4     -10.7489      1.00000
      5      -0.7009      1.00000
      6      -0.6355      1.00000
      7      -0.5885      1.00000
      8      -0.4655      1.00000
      9      -0.4637      1.00000
     10       0.1193      1.00000
     11       5.5071     -0.00001
     12       5.8016      0.00000
     13       6.2396      0.00000
     14       6.4325      0.00000
     15       7.9107      0.00000
     16       8.0670      0.00000
     17       8.5303      0.00000
     18       8.5816      0.00000

 k-point  27 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0085      1.00000
      2     -10.8877      1.00000
      3     -10.7635      1.00000
      4     -10.7635      1.00000
      5      -0.6557      1.00000
      6      -0.5807      1.00000
      7      -0.5722      1.00000
      8      -0.4357      1.00000
      9      -0.4295      1.00000
     10       0.4661      1.00000
     11       4.9673      0.04554
     12       5.5190     -0.00001
     13       6.0513      0.00000
     14       6.6269      0.00000
     15       7.8484      0.00000
     16       7.9962      0.00000
     17       8.8321      0.00000
     18       8.9437      0.00000

 k-point  28 :       0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0062      1.00000
      2     -10.9509      1.00000
      3     -10.7810      1.00000
      4     -10.7782      1.00000
      5      -0.5915      1.00000
      6      -0.5570      1.00000
      7      -0.4996      1.00000
      8      -0.4065      1.00000
      9      -0.3964      1.00000
     10       0.8839      1.00000
     11       4.4523      1.01121
     12       5.2758     -0.00359
     13       5.7851      0.00000
     14       6.8544      0.00000
     15       7.9421      0.00000
     16       7.9511      0.00000
     17       9.0979      0.00000
     18       9.2017      0.00000

 k-point  29 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0039      1.00000
      2     -11.0093      1.00000
      3     -10.7987      1.00000
      4     -10.7912      1.00000
      5      -0.5228      1.00000
      6      -0.5168      1.00000
      7      -0.4353      1.00000
      8      -0.3831      1.00000
      9      -0.3682      1.00000
     10       1.3496      1.00000
     11       3.9688      1.00000
     12       5.0925     -0.03445
     13       5.5024     -0.00001
     14       7.0936      0.00000
     15       8.0028      0.00000
     16       8.1381      0.00000
     17       9.1898      0.00000
     18       9.3051      0.00000

 k-point  30 :       0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0021      1.00000
      2     -11.0544      1.00000
      3     -10.8140      1.00000
      4     -10.8005      1.00000
      5      -0.4808      1.00000
      6      -0.4419      1.00000
      7      -0.3940      1.00000
      8      -0.3690      1.00000
      9      -0.3501      1.00000
     10       1.8372      1.00000
     11       3.5105      1.00000
     12       4.9787      0.02650
     13       5.2549     -0.00528
     14       7.3302      0.00000
     15       8.1894      0.00000
     16       8.3612      0.00000
     17       8.9160      0.00000
     18       8.9898      0.00000

 k-point  31 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0011      1.00000
      2     -11.0804      1.00000
      3     -10.8246      1.00000
      4     -10.8049      1.00000
      5      -0.4409      1.00000
      6      -0.3850      1.00000
      7      -0.3801      1.00000
      8      -0.3694      1.00000
      9      -0.3447      1.00000
     10       2.3226      1.00000
     11       3.0616      1.00000
     12       4.9292      0.13314
     13       5.0771     -0.03545
     14       7.5899      0.00000
     15       8.3685      0.00000
     16       8.3787      0.00000
     17       8.7681      0.00000
     18       9.5436      0.00000

 k-point  32 :      -0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0010      1.00000
      2     -11.0839      1.00000
      3     -10.8287      1.00000
      4     -10.8037      1.00000
      5      -0.4159      1.00000
      6      -0.4101      1.00000
      7      -0.3771      1.00000
      8      -0.3583      1.00000
      9      -0.3349      1.00000
     10       2.5514      1.00000
     11       2.8463      1.00000
     12       4.9314      0.12708
     13       4.9911      0.00905
     14       7.8806      0.00000
     15       8.0492      0.00000
     16       8.2127      0.00000
     17       8.9070      0.00000
     18       9.0661      0.00000

 k-point  33 :      -0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0017      1.00000
      2     -11.0647      1.00000
      3     -10.8257      1.00000
      4     -10.7970      1.00000
      5      -0.4622      1.00000
      6      -0.4265      1.00000
      7      -0.3784      1.00000
      8      -0.3733      1.00000
      9      -0.3286      1.00000
     10       2.0720      1.00000
     11       3.3127      1.00000
     12       4.9772      0.02880
     13       5.0097     -0.01078
     14       7.6885      0.00000
     15       7.9112      0.00000
     16       8.4099      0.00000
     17       8.7338      0.00000
     18       9.3015      0.00000

 k-point  34 :      -0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0033      1.00000
      2     -11.0254      1.00000
      3     -10.8157      1.00000
      4     -10.7858      1.00000
      5      -0.5284      1.00000
      6      -0.4588      1.00000
      7      -0.4082      1.00000
      8      -0.3729      1.00000
      9      -0.3542      1.00000
     10       1.5550      1.00000
     11       3.8163      1.00000
     12       5.0657     -0.03508
     13       5.1362     -0.02634
     14       7.3520      0.00000
     15       7.8799      0.00000
     16       8.3799      0.00000
     17       8.8570      0.00000
     18       9.4060      0.00000

 k-point  35 :      -0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0054      1.00000
      2     -10.9716      1.00000
      3     -10.7999      1.00000
      4     -10.7718      1.00000
      5      -0.5950      1.00000
      6      -0.4913      1.00000
      7      -0.4430      1.00000
      8      -0.4080      1.00000
      9      -0.3874      1.00000
     10       1.0459      1.00000
     11       4.3511      1.00181
     12       5.1949     -0.01358
     13       5.3647     -0.00052
     14       7.0635      0.00000
     15       7.9257      0.00000
     16       8.0804      0.00000
     17       9.1780      0.00000
     18       9.2315      0.00000

 k-point  36 :      -0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0078      1.00000
      2     -10.9111      1.00000
      3     -10.7803      1.00000
      4     -10.7571      1.00000
      5      -0.6505      1.00000
      6      -0.5171      1.00000
      7      -0.4800      1.00000
      8      -0.4766      1.00000
      9      -0.4151      1.00000
     10       0.5787      1.00000
     11       4.9157      0.17282
     12       5.3557     -0.00065
     13       5.6804      0.00000
     14       6.8374      0.00000
     15       7.7929      0.00000
     16       8.0127      0.00000
     17       8.8744      0.00000
     18       9.0251      0.00000

 k-point  37 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -31.0100      1.00000
      2     -10.8533      1.00000
      3     -10.7596      1.00000
      4     -10.7440      1.00000
      5      -0.6850      1.00000
      6      -0.5576      1.00000
      7      -0.5335      1.00000
      8      -0.5051      1.00000
      9      -0.4514      1.00000
     10       0.1840      1.00000
     11       5.4819     -0.00002
     12       5.5451      0.00000
     13       6.0528      0.00000
     14       6.6910      0.00000
     15       7.5647      0.00000
     16       7.9822      0.00000
     17       8.7131      0.00000
     18       8.7202      0.00000

 k-point  38 :       0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0094      1.00000
      2     -10.8544      1.00000
      3     -10.7597      1.00000
      4     -10.7597      1.00000
      5      -0.7035      1.00000
      6      -0.6304      1.00000
      7      -0.6142      1.00000
      8      -0.4354      1.00000
      9      -0.4354      1.00000
     10       0.3403      1.00000
     11       5.1578     -0.02136
     12       5.7522      0.00000
     13       6.2664      0.00000
     14       6.2664      0.00000
     15       8.2968      0.00000
     16       8.3600      0.00000
     17       8.3600      0.00000
     18       8.6335      0.00000

 k-point  39 :       0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0076      1.00000
      2     -10.8963      1.00000
      3     -10.7737      1.00000
      4     -10.7728      1.00000
      5      -0.6805      1.00000
      6      -0.6234      1.00000
      7      -0.5960      1.00000
      8      -0.4051      1.00000
      9      -0.4039      1.00000
     10       0.6347      1.00000
     11       4.7640      0.76453
     12       5.5308      0.00000
     13       6.2113      0.00000
     14       6.3793      0.00000
     15       8.1748      0.00000
     16       8.3963      0.00000
     17       8.7114      0.00000
     18       8.8781      0.00000

 k-point  40 :       0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0056      1.00000
      2     -10.9452      1.00000
      3     -10.7920      1.00000
      4     -10.7867      1.00000
      5      -0.6351      1.00000
      6      -0.6144      1.00000
      7      -0.5413      1.00000
      8      -0.3787      1.00000
      9      -0.3743      1.00000
     10       0.9807      1.00000
     11       4.3844      1.00355
     12       5.2912     -0.00266
     13       6.0529      0.00000
     14       6.6060      0.00000
     15       8.1821      0.00000
     16       8.3487      0.00000
     17       9.0119      0.00000
     18       9.1439      0.00000

 k-point  41 :       0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0035      1.00000
      2     -10.9920      1.00000
      3     -10.8132      1.00000
      4     -10.7993      1.00000
      5      -0.5878      1.00000
      6      -0.5725      1.00000
      7      -0.4860      1.00000
      8      -0.3590      1.00000
      9      -0.3492      1.00000
     10       1.3593      1.00000
     11       4.0257      1.00000
     12       5.1165     -0.03061
     13       5.8237      0.00000
     14       6.8653      0.00000
     15       8.3176      0.00000
     16       8.3368      0.00000
     17       9.0638      0.00000
     18       9.3016      0.00000

 k-point  42 :       0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0018      1.00000
      2     -11.0298      1.00000
      3     -10.8342      1.00000
      4     -10.8085      1.00000
      5      -0.5473      1.00000
      6      -0.5003      1.00000
      7      -0.4481      1.00000
      8      -0.3491      1.00000
      9      -0.3344      1.00000
     10       1.7535      1.00000
     11       3.6817      1.00000
     12       5.0200     -0.01890
     13       5.5799      0.00000
     14       7.1108      0.00000
     15       8.4315      0.00000
     16       8.5027      0.00000
     17       8.8816      0.00000
     18       9.0009      0.00000

 k-point  43 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0006      1.00000
      2     -11.0535      1.00000
      3     -10.8516      1.00000
      4     -10.8132      1.00000
      5      -0.4985      1.00000
      6      -0.4385      1.00000
      7      -0.4299      1.00000
      8      -0.3541      1.00000
      9      -0.3308      1.00000
     10       2.1489      1.00000
     11       3.3385      1.00000
     12       4.9767      0.02958
     13       5.3667     -0.00049
     14       7.3246      0.00000
     15       8.4108      0.00000
     16       8.5347      0.00000
     17       8.8031      0.00000
     18       8.8739      0.00000

 k-point  44 :      -0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0002      1.00000
      2     -11.0606      1.00000
      3     -10.8620      1.00000
      4     -10.8126      1.00000
      5      -0.4624      1.00000
      6      -0.4472      1.00000
      7      -0.3721      1.00000
      8      -0.3718      1.00000
      9      -0.3395      1.00000
     10       2.5075      1.00000
     11       3.0073      1.00000
     12       4.9444      0.09377
     13       5.2146     -0.01023
     14       7.5649      0.00000
     15       8.0564      0.00000
     16       8.3530      0.00000
     17       9.0938      0.00000
     18       9.1550      0.00000

 k-point  45 :      -0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0006      1.00000
      2     -11.0509      1.00000
      3     -10.8632      1.00000
      4     -10.8068      1.00000
      5      -0.5036      1.00000
      6      -0.4168      1.00000
      7      -0.3923      1.00000
      8      -0.3619      1.00000
      9      -0.3330      1.00000
     10       2.4169      1.00000
     11       3.0889      1.00000
     12       4.9136      0.17945
     13       5.1424     -0.02492
     14       7.6911      0.00000
     15       7.9057      0.00000
     16       8.2710      0.00000
     17       9.1617      0.00000
     18       9.3871      0.00000

 k-point  46 :      -0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0018      1.00000
      2     -11.0267      1.00000
      3     -10.8539      1.00000
      4     -10.7967      1.00000
      5      -0.5554      1.00000
      6      -0.4413      1.00000
      7      -0.3893      1.00000
      8      -0.3785      1.00000
      9      -0.3296      1.00000
     10       1.9642      1.00000
     11       3.5126      1.00000
     12       4.9128      0.18185
     13       5.1600     -0.02086
     14       7.3636      0.00000
     15       8.2738      0.00000
     16       8.3513      0.00000
     17       8.8648      0.00000
     18       9.2848      0.00000

 k-point  47 :      -0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0036      1.00000
      2     -10.9921      1.00000
      3     -10.8348      1.00000
      4     -10.7837      1.00000
      5      -0.6041      1.00000
      6      -0.4748      1.00000
      7      -0.4221      1.00000
      8      -0.3732      1.00000
      9      -0.3564      1.00000
     10       1.4702      1.00000
     11       3.9926      1.00000
     12       4.9685      0.04339
     13       5.2670     -0.00423
     14       7.0989      0.00000
     15       8.3373      0.00000
     16       8.4787      0.00000
     17       8.8132      0.00000
     18       9.0803      0.00000

 k-point  48 :      -0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -31.0057      1.00000
      2     -10.9519      1.00000
      3     -10.8086      1.00000
      4     -10.7698      1.00000
      5      -0.6376      1.00000
      6      -0.5007      1.00000
      7      -0.4515      1.00000
      8      -0.4091      1.00000
      9      -0.3856      1.00000
     10       0.9955      1.00000
     11       4.4897      1.01840
     12       5.0976     -0.03383
     13       5.4508     -0.00005
     14       6.9163      0.00000
     15       8.1266      0.00000
     16       8.3064      0.00000
     17       8.8753      0.00000
     18       9.2123      0.00000

 k-point  49 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0062      1.00000
      2     -10.9223      1.00000
      3     -10.7849      1.00000
      4     -10.7849      1.00000
      5      -0.6795      1.00000
      6      -0.6514      1.00000
      7      -0.5946      1.00000
      8      -0.3748      1.00000
      9      -0.3748      1.00000
     10       0.8587      1.00000
     11       4.5215      1.02564
     12       5.4873     -0.00002
     13       6.3100      0.00000
     14       6.3100      0.00000
     15       8.3946      0.00000
     16       8.6441      0.00000
     17       8.6442      0.00000
     18       8.9744      0.00000

 k-point  50 :       0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0045      1.00000
      2     -10.9565      1.00000
      3     -10.8004      1.00000
      4     -10.7978      1.00000
      5      -0.6616      1.00000
      6      -0.6587      1.00000
      7      -0.5700      1.00000
      8      -0.3508      1.00000
      9      -0.3496      1.00000
     10       1.1069      1.00000
     11       4.3159      1.00083
     12       5.3193     -0.00148
     13       6.3012      0.00000
     14       6.4559      0.00000
     15       8.3977      0.00000
     16       8.6841      0.00000
     17       8.8568      0.00000
     18       9.2051      0.00000

 k-point  51 :       0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0027      1.00000
      2     -10.9896      1.00000
      3     -10.8222      1.00000
      4     -10.8095      1.00000
      5      -0.6489      1.00000
      6      -0.6142      1.00000
      7      -0.5342      1.00000
      8      -0.3327      1.00000
      9      -0.3280      1.00000
     10       1.3636      1.00000
     11       4.1484      1.00001
     12       5.1444     -0.02445
     13       6.1737      0.00000
     14       6.7054      0.00000
     15       8.4859      0.00000
     16       8.6612      0.00000
     17       8.9904      0.00000
     18       9.3051      0.00000

 k-point  52 :       0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0011      1.00000
      2     -11.0149      1.00000
      3     -10.8485      1.00000
      4     -10.8183      1.00000
      5      -0.6168      1.00000
      6      -0.5547      1.00000
      7      -0.5039      1.00000
      8      -0.3249      1.00000
      9      -0.3147      1.00000
     10       1.6256      1.00000
     11       3.9838      1.00000
     12       5.0387     -0.02892
     13       5.9690      0.00000
     14       6.9482      0.00000
     15       8.6533      0.00000
     16       8.6883      0.00000
     17       8.8327      0.00000
     18       9.0217      0.00000

 k-point  53 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0000      1.00000
      2     -11.0289      1.00000
      3     -10.8753      1.00000
      4     -10.8230      1.00000
      5      -0.5690      1.00000
      6      -0.4942      1.00000
      7      -0.4871      1.00000
      8      -0.3318      1.00000
      9      -0.3130      1.00000
     10       1.8973      1.00000
     11       3.7864      1.00000
     12       4.9956      0.00362
     13       5.7422      0.00000
     14       7.0915      0.00000
     15       8.4689      0.00000
     16       8.7435      0.00000
     17       8.9116      0.00000
     18       8.9255      0.00000

 k-point  54 :      -0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.9995      1.00000
      2     -11.0312      1.00000
      3     -10.8967      1.00000
      4     -10.8227      1.00000
      5      -0.5187      1.00000
      6      -0.4993      1.00000
      7      -0.4199      1.00000
      8      -0.3502      1.00000
      9      -0.3216      1.00000
     10       2.1738      1.00000
     11       3.5448      1.00000
     12       4.9459      0.09020
     13       5.5339      0.00000
     14       7.1933      0.00000
     15       8.1036      0.00000
     16       8.6457      0.00000
     17       9.1304      0.00000
     18       9.4237      0.00000

 k-point  55 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.9996      1.00000
      2     -11.0252      1.00000
      3     -10.9058      1.00000
      4     -10.8177      1.00000
      5      -0.5366      1.00000
      6      -0.4539      1.00000
      7      -0.3790      1.00000
      8      -0.3659      1.00000
      9      -0.3395      1.00000
     10       2.3915      1.00000
     11       3.3062      1.00000
     12       4.8669      0.34824
     13       5.3696     -0.00046
     14       7.4248      0.00000
     15       7.7525      0.00000
     16       8.6386      0.00000
     17       9.3287      0.00000
     18       9.4067      0.00000

 k-point  56 :      -0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0005      1.00000
      2     -11.0165      1.00000
      3     -10.8966      1.00000
      4     -10.8085      1.00000
      5      -0.5679      1.00000
      6      -0.4163      1.00000
      7      -0.4057      1.00000
      8      -0.3664      1.00000
      9      -0.3332      1.00000
     10       2.3136      1.00000
     11       3.3121      1.00000
     12       4.8175      0.55427
     13       5.2658     -0.00433
     14       7.4542      0.00000
     15       7.8199      0.00000
     16       8.6810      0.00000
     17       9.1333      0.00000
     18       9.3893      0.00000

 k-point  57 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -31.0019      1.00000
      2     -11.0065      1.00000
      3     -10.8701      1.00000
      4     -10.7966      1.00000
      5      -0.5942      1.00000
      6      -0.4486      1.00000
      7      -0.3952      1.00000
      8      -0.3805      1.00000
      9      -0.3305      1.00000
     10       1.9266      1.00000
     11       3.6109      1.00000
     12       4.8459      0.43445
     13       5.2314     -0.00787
     14       7.2317      0.00000
     15       8.2989      0.00000
     16       8.6522      0.00000
     17       8.8720      0.00000
     18       9.0546      0.00000

 k-point  58 :       0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -31.0032      1.00000
      2     -10.9788      1.00000
      3     -10.8096      1.00000
      4     -10.8095      1.00000
      5      -0.6905      1.00000
      6      -0.6588      1.00000
      7      -0.5764      1.00000
      8      -0.3268      1.00000
      9      -0.3268      1.00000
     10       1.2321      1.00000
     11       4.3011      1.00059
     12       5.2770     -0.00351
     13       6.4708      0.00000
     14       6.4708      0.00000
     15       8.5113      0.00000
     16       8.8690      0.00000
     17       8.8693      0.00000
     18       9.2357      0.00000

 k-point  59 :       0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -31.0017      1.00000
      2     -11.0016      1.00000
      3     -10.8251      1.00000
      4     -10.8203      1.00000
      5      -0.6965      1.00000
      6      -0.6379      1.00000
      7      -0.5670      1.00000
      8      -0.3091      1.00000
      9      -0.3082      1.00000
     10       1.3523      1.00000
     11       4.3365      1.00133
     12       5.1588     -0.02112
     13       6.5007      0.00000
     14       6.6462      0.00000
     15       8.5937      0.00000
     16       8.9213      0.00000
     17       8.9668      0.00000
     18       9.2426      0.00000

 k-point  60 :       0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -31.0004      1.00000
      2     -11.0171      1.00000
      3     -10.8496      1.00000
      4     -10.8284      1.00000
      5      -0.6783      1.00000
      6      -0.5970      1.00000
      7      -0.5519      1.00000
      8      -0.3019      1.00000
      9      -0.2970      1.00000
     10       1.4859      1.00000
     11       4.3633      1.00234
     12       5.0477     -0.03193
     13       6.3843      0.00000
     14       6.8572      0.00000
     15       8.7416      0.00000
     16       8.8516      0.00000
     17       8.9168      0.00000
     18       9.1360      0.00000

 k-point  61 :       0.5000    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.9994      1.00000
      2     -11.0205      1.00000
      3     -10.8815      1.00000
      4     -10.8327      1.00000
      5      -0.6390      1.00000
      6      -0.5439      1.00000
      7      -0.5410      1.00000
      8      -0.3066      1.00000
      9      -0.2947      1.00000
     10       1.6552      1.00000
     11       4.2987      1.00055
     12       5.0022     -0.00363
     13       6.1728      0.00000
     14       6.9313      0.00000
     15       8.5399      0.00000
     16       8.9557      0.00000
     17       8.9699      0.00000
     18       9.0198      0.00000

 k-point  62 :      -0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.9988      1.00000
      2     -11.0106      1.00000
      3     -10.9166      1.00000
      4     -10.8325      1.00000
      5      -0.5846      1.00000
      6      -0.5439      1.00000
      7      -0.4776      1.00000
      8      -0.3230      1.00000
      9      -0.3024      1.00000
     10       1.8705      1.00000
     11       4.1182      1.00000
     12       4.9569      0.06600
     13       5.9213      0.00000
     14       6.9042      0.00000
     15       8.1933      0.00000
     16       8.9269      0.00000
     17       9.1697      0.00000
     18       9.3847      0.00000

 k-point  63 :      -0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.9989      1.00000
      2     -10.9930      1.00000
      3     -10.9453      1.00000
      4     -10.8278      1.00000
      5      -0.5602      1.00000
      6      -0.5149      1.00000
      7      -0.4148      1.00000
      8      -0.3503      1.00000
      9      -0.3196      1.00000
     10       2.1190      1.00000
     11       3.8203      1.00000
     12       4.8610      0.37195
     13       5.6683      0.00000
     14       7.0263      0.00000
     15       7.8784      0.00000
     16       8.9517      0.00000
     17       9.2938      0.00000
     18       9.5213      0.00000

 k-point  64 :      -0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.9994      1.00000
      2     -10.9981      1.00000
      3     -10.9354      1.00000
      4     -10.8194      1.00000
      5      -0.5675      1.00000
      6      -0.4561      1.00000
      7      -0.3817      1.00000
      8      -0.3627      1.00000
      9      -0.3414      1.00000
     10       2.3383      1.00000
     11       3.4606      1.00000
     12       4.7984      0.63353
     13       5.4418     -0.00007
     14       7.3567      0.00000
     15       7.6271      0.00000
     16       8.9508      0.00000
     17       9.0850      0.00000
     18       9.4265      0.00000

 k-point  65 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -31.0007      1.00000
      2     -11.0182      1.00000
      3     -10.8301      1.00000
      4     -10.8301      1.00000
      5      -0.7233      1.00000
      6      -0.6415      1.00000
      7      -0.5816      1.00000
      8      -0.2913      1.00000
      9      -0.2913      1.00000
     10       1.3458      1.00000
     11       4.5471      1.03115
     12       5.1273     -0.02833
     13       6.7232      0.00000
     14       6.7232      0.00000
     15       8.6409      0.00000
     16       9.0226      0.00000
     17       9.0252      0.00000
     18       9.2977      0.00000

 k-point  66 :       0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.9996      1.00000
      2     -11.0296      1.00000
      3     -10.8441      1.00000
      4     -10.8373      1.00000
      5      -0.7234      1.00000
      6      -0.6221      1.00000
      7      -0.5852      1.00000
      8      -0.2827      1.00000
      9      -0.2813      1.00000
     10       1.3747      1.00000
     11       4.7239      0.88741
     12       5.0521     -0.03303
     13       6.7600      0.00000
     14       6.8745      0.00000
     15       8.7316      0.00000
     16       8.9984      0.00000
     17       9.0587      0.00000
     18       9.2420      0.00000

 k-point  67 :       0.5000    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.9989      1.00000
      2     -11.0300      1.00000
      3     -10.8692      1.00000
      4     -10.8409      1.00000
      5      -0.6975      1.00000
      6      -0.5849      1.00000
      7      -0.5817      1.00000
      8      -0.2855      1.00000
      9      -0.2793      1.00000
     10       1.4627      1.00000
     11       4.7638      0.76525
     12       5.0177     -0.01721
     13       6.6096      0.00000
     14       6.8948      0.00000
     15       8.6251      0.00000
     16       9.0656      0.00000
     17       9.1359      0.00000
     18       9.1604      0.00000

 k-point  68 :      -0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.9985      1.00000
      2     -11.0171      1.00000
      3     -10.9036      1.00000
      4     -10.8404      1.00000
      5      -0.6509      1.00000
      6      -0.5760      1.00000
      7      -0.5341      1.00000
      8      -0.2988      1.00000
      9      -0.2857      1.00000
     10       1.6208      1.00000
     11       4.6200      1.02972
     12       5.0046     -0.00606
     13       6.3361      0.00000
     14       6.7638      0.00000
     15       8.3331      0.00000
     16       9.1373      0.00000
     17       9.1952      0.00000
     18       9.2628      0.00000

 k-point  69 :      -0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.9985      1.00000
      2     -10.9933      1.00000
      3     -10.9413      1.00000
      4     -10.8358      1.00000
      5      -0.5923      1.00000
      6      -0.5642      1.00000
      7      -0.4750      1.00000
      8      -0.3222      1.00000
      9      -0.3000      1.00000
     10       1.8454      1.00000
     11       4.3090      1.00071
     12       4.9168      0.16939
     13       6.0047      0.00000
     14       6.7786      0.00000
     15       8.0741      0.00000
     16       9.1643      0.00000
     17       9.1783      0.00000
     18       9.3236      0.00000

 k-point  70 :       0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.9990      1.00000
      2     -11.0405      1.00000
      3     -10.8436      1.00000
      4     -10.8436      1.00000
      5      -0.7449      1.00000
      6      -0.6288      1.00000
      7      -0.6032      1.00000
      8      -0.2715      1.00000
      9      -0.2715      1.00000
     10       1.3204      1.00000
     11       4.9817      0.02185
     12       5.0381     -0.02868
     13       6.9875      0.00000
     14       6.9875      0.00000
     15       8.7643      0.00000
     16       9.1570      0.00000
     17       9.1865      0.00000
     18       9.2515      0.00000

 k-point  71 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.9985      1.00000
      2     -11.0425      1.00000
      3     -10.8544      1.00000
      4     -10.8464      1.00000
      5      -0.7378      1.00000
      6      -0.6134      1.00000
      7      -0.6061      1.00000
      8      -0.2701      1.00000
      9      -0.2692      1.00000
     10       1.3401      1.00000
     11       4.9889      0.01191
     12       5.1136     -0.03117
     13       6.9661      0.00000
     14       7.0089      0.00000
     15       8.7244      0.00000
     16       9.1083      0.00000
     17       9.2001      0.00000
     18       9.2922      0.00000

 k-point  72 :      -0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.9983      1.00000
      2     -11.0334      1.00000
      3     -10.8765      1.00000
      4     -10.8453      1.00000
      5      -0.7045      1.00000
      6      -0.5965      1.00000
      7      -0.5807      1.00000
      8      -0.2801      1.00000
      9      -0.2747      1.00000
     10       1.4408      1.00000
     11       4.8884      0.26545
     12       5.1031     -0.03301
     13       6.7154      0.00000
     14       6.8414      0.00000
     15       8.5279      0.00000
     16       9.2217      0.00000
     17       9.2465      0.00000
     18       9.2800      0.00000

 k-point  73 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation
      1     -30.9984      1.00000
      2     -11.0476      1.00000
      3     -10.8483      1.00000
      4     -10.8483      1.00000
      5      -0.7520      1.00000
      6      -0.6242      1.00000
      7      -0.6151      1.00000
      8      -0.2646      1.00000
      9      -0.2646      1.00000
     10       1.2981      1.00000
     11       5.0089     -0.01007
     12       5.1975     -0.01311
     13       7.1114      0.00000
     14       7.1115      0.00000
     15       8.8199      0.00000
     16       9.0727      0.00000
     17       9.2284      0.00000
     18       9.2664      0.00000

 k-point  74 :       0.1875    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0116      1.00000
      2     -10.8071      1.00000
      3     -10.7436      1.00000
      4     -10.7375      1.00000
      5      -0.7057      1.00000
      6      -0.6373      1.00000
      7      -0.5661      1.00000
      8      -0.5001      1.00000
      9      -0.4821      1.00000
     10      -0.0655      1.00000
     11       5.8330      0.00000
     12       5.8476      0.00000
     13       6.3569      0.00000
     14       6.5259      0.00000
     15       7.6110      0.00000
     16       7.9509      0.00000
     17       8.4386      0.00000
     18       8.5664      0.00000

 k-point  75 :       0.2500    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0096      1.00000
      2     -10.8628      1.00000
      3     -10.7601      1.00000
      4     -10.7490      1.00000
      5      -0.6733      1.00000
      6      -0.5689      1.00000
      7      -0.5573      1.00000
      8      -0.4737      1.00000
      9      -0.4459      1.00000
     10       0.2606      1.00000
     11       5.2757     -0.00359
     12       5.6050      0.00000
     13       6.0556      0.00000
     14       6.6734      0.00000
     15       7.6535      0.00000
     16       7.9504      0.00000
     17       8.7173      0.00000
     18       8.9188      0.00000

 k-point  76 :       0.3125    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0073      1.00000
      2     -10.9276      1.00000
      3     -10.7779      1.00000
      4     -10.7635      1.00000
      5      -0.6192      1.00000
      6      -0.5362      1.00000
      7      -0.4917      1.00000
      8      -0.4437      1.00000
      9      -0.4117      1.00000
     10       0.6740      1.00000
     11       4.7161      0.90688
     12       5.3698     -0.00046
     13       5.7263      0.00000
     14       6.8812      0.00000
     15       7.8074      0.00000
     16       7.8696      0.00000
     17       8.9840      0.00000
     18       9.1281      0.00000

 k-point  77 :       0.3750    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0049      1.00000
      2     -10.9911      1.00000
      3     -10.7947      1.00000
      4     -10.7785      1.00000
      5      -0.5496      1.00000
      6      -0.5047      1.00000
      7      -0.4206      1.00000
      8      -0.4113      1.00000
      9      -0.3837      1.00000
     10       1.1497      1.00000
     11       4.1832      1.00002
     12       5.1631     -0.02016
     13       5.4289     -0.00010
     14       7.1276      0.00000
     15       7.8272      0.00000
     16       8.0503      0.00000
     17       9.1813      0.00000
     18       9.2965      0.00000

 k-point  78 :       0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0029      1.00000
      2     -11.0438      1.00000
      3     -10.8084      1.00000
      4     -10.7915      1.00000
      5      -0.4773      1.00000
      6      -0.4674      1.00000
      7      -0.3857      1.00000
      8      -0.3709      1.00000
      9      -0.3634      1.00000
     10       1.6575      1.00000
     11       3.6801      1.00000
     12       5.0110     -0.01190
     13       5.1912     -0.01428
     14       7.3866      0.00000
     15       7.9054      0.00000
     16       8.3278      0.00000
     17       8.8979      0.00000
     18       9.3166      0.00000

 k-point  79 :       0.5000    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0015      1.00000
      2     -11.0784      1.00000
      3     -10.8173      1.00000
      4     -10.8003      1.00000
      5      -0.4327      1.00000
      6      -0.4140      1.00000
      7      -0.3746      1.00000
      8      -0.3587      1.00000
      9      -0.3412      1.00000
     10       2.1632      1.00000
     11       3.2022      1.00000
     12       4.9295      0.13233
     13       5.0293     -0.02456
     14       7.6422      0.00000
     15       8.0953      0.00000
     16       8.4696      0.00000
     17       8.6644      0.00000
     18       9.0757      0.00000

 k-point  80 :      -0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -31.0011      1.00000
      2     -11.0905      1.00000
      3     -10.8204      1.00000
      4     -10.8034      1.00000
      5      -0.4154      1.00000
      6      -0.3835      1.00000
      7      -0.3772      1.00000
      8      -0.3558      1.00000
      9      -0.3374      1.00000
     10       2.5369      1.00000
     11       2.8427      1.00000
     12       4.9133      0.18048
     13       4.9633      0.05313
     14       7.8452      0.00000
     15       8.0754      0.00000
     16       8.4996      0.00000
     17       8.6033      0.00000
     18       9.0590      0.00000

 k-point  81 :       0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0089      1.00000
      2     -10.8704      1.00000
      3     -10.7658      1.00000
      4     -10.7585      1.00000
      5      -0.6855      1.00000
      6      -0.5962      1.00000
      7      -0.5942      1.00000
      8      -0.4400      1.00000
      9      -0.4286      1.00000
     10       0.4034      1.00000
     11       5.0811     -0.03533
     12       5.5744      0.00000
     13       6.1710      0.00000
     14       6.4560      0.00000
     15       7.9345      0.00000
     16       8.2687      0.00000
     17       8.6593      0.00000
     18       8.7698      0.00000

 k-point  82 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0069      1.00000
      2     -10.9217      1.00000
      3     -10.7851      1.00000
      4     -10.7716      1.00000
      5      -0.6513      1.00000
      6      -0.5885      1.00000
      7      -0.5295      1.00000
      8      -0.4125      1.00000
      9      -0.3957      1.00000
     10       0.7623      1.00000
     11       4.6310      1.02479
     12       5.3338     -0.00107
     13       5.9668      0.00000
     14       6.6339      0.00000
     15       8.0138      0.00000
     16       8.2673      0.00000
     17       8.8887      0.00000
     18       9.0323      0.00000

 k-point  83 :       0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0047      1.00000
      2     -10.9744      1.00000
      3     -10.8049      1.00000
      4     -10.7861      1.00000
      5      -0.5979      1.00000
      6      -0.5640      1.00000
      7      -0.4626      1.00000
      8      -0.3850      1.00000
      9      -0.3693      1.00000
     10       1.1751      1.00000
     11       4.1897      1.00003
     12       5.1443     -0.02448
     13       5.7119      0.00000
     14       6.8725      0.00000
     15       8.1976      0.00000
     16       8.2106      0.00000
     17       9.0815      0.00000
     18       9.2416      0.00000

 k-point  84 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0027      1.00000
      2     -11.0206      1.00000
      3     -10.8231      1.00000
      4     -10.7991      1.00000
      5      -0.5347      1.00000
      6      -0.5254      1.00000
      7      -0.4115      1.00000
      8      -0.3660      1.00000
      9      -0.3519      1.00000
     10       1.6187      1.00000
     11       3.7673      1.00000
     12       5.0239     -0.02146
     13       5.4676     -0.00003
     14       7.1316      0.00000
     15       8.2146      0.00000
     16       8.4473      0.00000
     17       8.8631      0.00000
     18       9.2632      0.00000

 k-point  85 :       0.5000    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0012      1.00000
      2     -11.0537      1.00000
      3     -10.8377      1.00000
      4     -10.8079      1.00000
      5      -0.4846      1.00000
      6      -0.4679      1.00000
      7      -0.3844      1.00000
      8      -0.3649      1.00000
      9      -0.3392      1.00000
     10       2.0699      1.00000
     11       3.3586      1.00000
     12       4.9680      0.04437
     13       5.2712     -0.00392
     14       7.3819      0.00000
     15       8.3029      0.00000
     16       8.4986      0.00000
     17       8.7269      0.00000
     18       9.1666      0.00000

 k-point  86 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0005      1.00000
      2     -11.0693      1.00000
      3     -10.8464      1.00000
      4     -10.8112      1.00000
      5      -0.4420      1.00000
      6      -0.4341      1.00000
      7      -0.3821      1.00000
      8      -0.3691      1.00000
      9      -0.3350      1.00000
     10       2.5041      1.00000
     11       2.9554      1.00000
     12       4.9494      0.08212
     13       5.1463     -0.02401
     14       7.6383      0.00000
     15       8.0551      0.00000
     16       8.5511      0.00000
     17       8.6775      0.00000
     18       9.1482      0.00000

 k-point  87 :      -0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0007      1.00000
      2     -11.0656      1.00000
      3     -10.8478      1.00000
      4     -10.8086      1.00000
      5      -0.4611      1.00000
      6      -0.4247      1.00000
      7      -0.3923      1.00000
      8      -0.3523      1.00000
      9      -0.3396      1.00000
     10       2.4700      1.00000
     11       2.9895      1.00000
     12       4.9420      0.09979
     13       5.1097     -0.03190
     14       7.7371      0.00000
     15       7.9723      0.00000
     16       8.3044      0.00000
     17       8.9428      0.00000
     18       9.2486      0.00000

 k-point  88 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0017      1.00000
      2     -11.0433      1.00000
      3     -10.8412      1.00000
      4     -10.8005      1.00000
      5      -0.5144      1.00000
      6      -0.4583      1.00000
      7      -0.3769      1.00000
      8      -0.3640      1.00000
      9      -0.3430      1.00000
     10       2.0068      1.00000
     11       3.4276      1.00000
     12       4.9525      0.07521
     13       5.1678     -0.01911
     14       7.4402      0.00000
     15       8.1669      0.00000
     16       8.3849      0.00000
     17       8.8032      0.00000
     18       9.2982      0.00000

 k-point  89 :      -0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0033      1.00000
      2     -11.0058      1.00000
      3     -10.8270      1.00000
      4     -10.7883      1.00000
      5      -0.5743      1.00000
      6      -0.4966      1.00000
      7      -0.3936      1.00000
      8      -0.3744      1.00000
      9      -0.3659      1.00000
     10       1.5187      1.00000
     11       3.8941      1.00000
     12       5.0098     -0.01089
     13       5.3140     -0.00166
     14       7.1507      0.00000
     15       8.1756      0.00000
     16       8.4551      0.00000
     17       8.8324      0.00000
     18       9.3096      0.00000

 k-point  90 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0054      1.00000
      2     -10.9586      1.00000
      3     -10.8067      1.00000
      4     -10.7742      1.00000
      5      -0.6269      1.00000
      6      -0.5289      1.00000
      7      -0.4265      1.00000
      8      -0.4233      1.00000
      9      -0.3818      1.00000
     10       1.0438      1.00000
     11       4.3837      1.00350
     12       5.1273     -0.02833
     13       5.5359      0.00000
     14       6.9047      0.00000
     15       8.1395      0.00000
     16       8.2459      0.00000
     17       8.9535      0.00000
     18       9.2319      0.00000

 k-point  91 :      -0.1250    0.1875    0.0625
  band No.  band energies     occupation
      1     -31.0076      1.00000
      2     -10.9085      1.00000
      3     -10.7831      1.00000
      4     -10.7603      1.00000
      5      -0.6623      1.00000
      6      -0.5503      1.00000
      7      -0.4967      1.00000
      8      -0.4517      1.00000
      9      -0.4094      1.00000
     10       0.6150      1.00000
     11       4.8739      0.32058
     12       5.3100     -0.00181
     13       5.8077      0.00000
     14       6.7307      0.00000
     15       7.8693      0.00000
     16       8.2097      0.00000
     17       8.7936      0.00000
     18       8.9832      0.00000

 k-point  92 :       0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0059      1.00000
      2     -10.9329      1.00000
      3     -10.7915      1.00000
      4     -10.7841      1.00000
      5      -0.6624      1.00000
      6      -0.6326      1.00000
      7      -0.5625      1.00000
      8      -0.3785      1.00000
      9      -0.3743      1.00000
     10       0.9204      1.00000
     11       4.4601      1.01253
     12       5.3593     -0.00059
     13       6.1778      0.00000
     14       6.4664      0.00000
     15       8.2380      0.00000
     16       8.5814      0.00000
     17       8.7690      0.00000
     18       9.0632      0.00000

 k-point  93 :       0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0040      1.00000
      2     -10.9715      1.00000
      3     -10.8125      1.00000
      4     -10.7975      1.00000
      5      -0.6290      1.00000
      6      -0.6222      1.00000
      7      -0.5123      1.00000
      8      -0.3552      1.00000
      9      -0.3505      1.00000
     10       1.2370      1.00000
     11       4.1864      1.00003
     12       5.1673     -0.01923
     13       6.0261      0.00000
     14       6.6839      0.00000
     15       8.3653      0.00000
     16       8.5721      0.00000
     17       8.9464      0.00000
     18       9.2389      0.00000

 k-point  94 :       0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0022      1.00000
      2     -11.0053      1.00000
      3     -10.8356      1.00000
      4     -10.8099      1.00000
      5      -0.5943      1.00000
      6      -0.5786      1.00000
      7      -0.4667      1.00000
      8      -0.3426      1.00000
      9      -0.3323      1.00000
     10       1.5674      1.00000
     11       3.9306      1.00000
     12       5.0365     -0.02801
     13       5.8137      0.00000
     14       6.9460      0.00000
     15       8.5358      0.00000
     16       8.5779      0.00000
     17       8.8444      0.00000
     18       9.1653      0.00000

 k-point  95 :       0.5000    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0007      1.00000
      2     -11.0294      1.00000
      3     -10.8582      1.00000
      4     -10.8184      1.00000
      5      -0.5511      1.00000
      6      -0.5229      1.00000
      7      -0.4368      1.00000
      8      -0.3462      1.00000
      9      -0.3197      1.00000
     10       1.8985      1.00000
     11       3.6739      1.00000
     12       4.9826      0.02063
     13       5.5976      0.00000
     14       7.1756      0.00000
     15       8.4968      0.00000
     16       8.5965      0.00000
     17       8.8132      0.00000
     18       9.0616      0.00000

 k-point  96 :      -0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.9999      1.00000
      2     -11.0414      1.00000
      3     -10.8762      1.00000
      4     -10.8217      1.00000
      5      -0.5034      1.00000
      6      -0.4864      1.00000
      7      -0.4121      1.00000
      8      -0.3658      1.00000
      9      -0.3179      1.00000
     10       2.2121      1.00000
     11       3.4098      1.00000
     12       4.9602      0.05923
     13       5.4185     -0.00013
     14       7.3334      0.00000
     15       8.1894      0.00000
     16       8.6602      0.00000
     17       8.7985      0.00000
     18       9.2311      0.00000

 k-point  97 :      -0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.9998      1.00000
      2     -11.0410      1.00000
      3     -10.8851      1.00000
      4     -10.8193      1.00000
      5      -0.5077      1.00000
      6      -0.4459      1.00000
      7      -0.3966      1.00000
      8      -0.3732      1.00000
      9      -0.3265      1.00000
     10       2.4301      1.00000
     11       3.1994      1.00000
     12       4.9173      0.16805
     13       5.3021     -0.00213
     14       7.5132      0.00000
     15       7.8892      0.00000
     16       8.5264      0.00000
     17       9.0646      0.00000
     18       9.4190      0.00000

 k-point  98 :      -0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0004      1.00000
      2     -11.0302      1.00000
      3     -10.8817      1.00000
      4     -10.8119      1.00000
      5      -0.5442      1.00000
      6      -0.4382      1.00000
      7      -0.4011      1.00000
      8      -0.3490      1.00000
      9      -0.3416      1.00000
     10       2.3106      1.00000
     11       3.2814      1.00000
     12       4.8701      0.33549
     13       5.2566     -0.00512
     14       7.5115      0.00000
     15       7.9003      0.00000
     16       8.5147      0.00000
     17       9.1684      0.00000
     18       9.4263      0.00000

 k-point  99 :      -0.2500    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0017      1.00000
      2     -11.0116      1.00000
      3     -10.8650      1.00000
      4     -10.8005      1.00000
      5      -0.5845      1.00000
      6      -0.4756      1.00000
      7      -0.3764      1.00000
      8      -0.3698      1.00000
      9      -0.3438      1.00000
     10       1.9231      1.00000
     11       3.6068      1.00000
     12       4.8729      0.32460
     13       5.2831     -0.00312
     14       7.2423      0.00000
     15       8.3197      0.00000
     16       8.5634      0.00000
     17       8.8909      0.00000
     18       9.1300      0.00000

 k-point 100 :      -0.1875    0.2500    0.0625
  band No.  band energies     occupation
      1     -31.0035      1.00000
      2     -10.9872      1.00000
      3     -10.8381      1.00000
      4     -10.7873      1.00000
      5      -0.6147      1.00000
      6      -0.5079      1.00000
      7      -0.3986      1.00000
      8      -0.3760      1.00000
      9      -0.3666      1.00000
     10       1.4744      1.00000
     11       3.9973      1.00000
     12       4.9562      0.06745
     13       5.3794     -0.00036
     14       7.0299      0.00000
     15       8.4885      0.00000
     16       8.5260      0.00000
     17       8.7933      0.00000
     18       9.0129      0.00000

 k-point 101 :       0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0030      1.00000
      2     -10.9833      1.00000
      3     -10.8167      1.00000
      4     -10.8100      1.00000
      5      -0.6690      1.00000
      6      -0.6413      1.00000
      7      -0.5506      1.00000
      8      -0.3290      1.00000
      9      -0.3282      1.00000
     10       1.2986      1.00000
     11       4.2318      1.00010
     12       5.1900     -0.01450
     13       6.3120      0.00000
     14       6.5963      0.00000
     15       8.5028      0.00000
     16       8.8398      0.00000
     17       8.8725      0.00000
     18       9.2609      0.00000

 k-point 102 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0014      1.00000
      2     -11.0053      1.00000
      3     -10.8391      1.00000
      4     -10.8219      1.00000
      5      -0.6541      1.00000
      6      -0.6098      1.00000
      7      -0.5201      1.00000
      8      -0.3190      1.00000
      9      -0.3098      1.00000
     10       1.4919      1.00000
     11       4.1823      1.00002
     12       5.0532     -0.03327
     13       6.1813      0.00000
     14       6.8380      0.00000
     15       8.6772      0.00000
     16       8.7831      0.00000
     17       8.8822      0.00000
     18       9.1410      0.00000

 k-point 103 :       0.5000    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0001      1.00000
      2     -11.0176      1.00000
      3     -10.8674      1.00000
      4     -10.8299      1.00000
      5      -0.6189      1.00000
      6      -0.5695      1.00000
      7      -0.4931      1.00000
      8      -0.3228      1.00000
      9      -0.2992      1.00000
     10       1.6970      1.00000
     11       4.1026      1.00000
     12       4.9826      0.02061
     13       5.9650      0.00000
     14       7.0494      0.00000
     15       8.5585      0.00000
     16       8.8243      0.00000
     17       8.9181      0.00000
     18       9.0672      0.00000

 k-point 104 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.9993      1.00000
      2     -11.0184      1.00000
      3     -10.8973      1.00000
      4     -10.8329      1.00000
      5      -0.5698      1.00000
      6      -0.5392      1.00000
      7      -0.4627      1.00000
      8      -0.3413      1.00000
      9      -0.2983      1.00000
     10       1.9220      1.00000
     11       3.9478      1.00000
     12       4.9596      0.06038
     13       5.7324      0.00000
     14       7.1241      0.00000
     15       8.2987      0.00000
     16       8.8427      0.00000
     17       8.9239      0.00000
     18       9.3098      0.00000

 k-point 105 :      -0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.9990      1.00000
      2     -11.0107      1.00000
      3     -10.9210      1.00000
      4     -10.8306      1.00000
      5      -0.5471      1.00000
      6      -0.5051      1.00000
      7      -0.4165      1.00000
      8      -0.3711      1.00000
      9      -0.3067      1.00000
     10       2.1539      1.00000
     11       3.7194      1.00000
     12       4.8997      0.22524
     13       5.5463      0.00000
     14       7.1939      0.00000
     15       7.9802      0.00000
     16       8.8157      0.00000
     17       9.1383      0.00000
     18       9.3904      0.00000

 k-point 106 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.9994      1.00000
      2     -11.0054      1.00000
      3     -10.9246      1.00000
      4     -10.8236      1.00000
      5      -0.5627      1.00000
      6      -0.4499      1.00000
      7      -0.4075      1.00000
      8      -0.3715      1.00000
      9      -0.3234      1.00000
     10       2.3241      1.00000
     11       3.4751      1.00000
     12       4.8200      0.54368
     13       5.4158     -0.00014
     14       7.4304      0.00000
     15       7.6710      0.00000
     16       8.8457      0.00000
     17       9.1731      0.00000
     18       9.4477      0.00000

 k-point 107 :      -0.2500    0.3125    0.0625
  band No.  band energies     occupation
      1     -31.0004      1.00000
      2     -11.0092      1.00000
      3     -10.9015      1.00000
      4     -10.8130      1.00000
      5      -0.5788      1.00000
      6      -0.4446      1.00000
      7      -0.4034      1.00000
      8      -0.3462      1.00000
      9      -0.3445      1.00000
     10       2.2558      1.00000
     11       3.4135      1.00000
     12       4.8029      0.61523
     13       5.3243     -0.00133
     14       7.4126      0.00000
     15       7.8417      0.00000
     16       8.8327      0.00000
     17       9.0278      0.00000
     18       9.4483      0.00000

 k-point 108 :       0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -31.0005      1.00000
      2     -11.0170      1.00000
      3     -10.8377      1.00000
      4     -10.8325      1.00000
      5      -0.6999      1.00000
      6      -0.6234      1.00000
      7      -0.5612      1.00000
      8      -0.2986      1.00000
      9      -0.2919      1.00000
     10       1.4165      1.00000
     11       4.4688      1.01414
     12       5.0673     -0.03519
     13       6.5108      0.00000
     14       6.8281      0.00000
     15       8.7006      0.00000
     16       8.8996      0.00000
     17       9.0149      0.00000
     18       9.1507      0.00000

 k-point 109 :       0.5000    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.9995      1.00000
      2     -11.0230      1.00000
      3     -10.8611      1.00000
      4     -10.8406      1.00000
      5      -0.6783      1.00000
      6      -0.6010      1.00000
      7      -0.5440      1.00000
      8      -0.3006      1.00000
      9      -0.2822      1.00000
     10       1.5173      1.00000
     11       4.5539      1.03239
     12       4.9841      0.01843
     13       6.3183      0.00000
     14       7.0331      0.00000
     15       8.6191      0.00000
     16       8.9910      0.00000
     17       9.0377      0.00000
     18       9.2033      0.00000

 k-point 110 :      -0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.9988      1.00000
      2     -11.0163      1.00000
      3     -10.8944      1.00000
      4     -10.8431      1.00000
      5      -0.6358      1.00000
      6      -0.5800      1.00000
      7      -0.5135      1.00000
      8      -0.3158      1.00000
      9      -0.2811      1.00000
     10       1.6715      1.00000
     11       4.4912      1.01873
     12       4.9693      0.04209
     13       6.0229      0.00000
     14       7.0768      0.00000
     15       8.4057      0.00000
     16       9.0365      0.00000
     17       9.1033      0.00000
     18       9.3183      0.00000

 k-point 111 :      -0.3750    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.9985      1.00000
      2     -10.9963      1.00000
      3     -10.9328      1.00000
      4     -10.8406      1.00000
      5      -0.5847      1.00000
      6      -0.5641      1.00000
      7      -0.4669      1.00000
      8      -0.3416      1.00000
      9      -0.2884      1.00000
     10       1.8786      1.00000
     11       4.2727      1.00029
     12       4.9191      0.16253
     13       5.7702      0.00000
     14       7.0391      0.00000
     15       8.1190      0.00000
     16       9.0648      0.00000
     17       9.2083      0.00000
     18       9.4458      0.00000

 k-point 112 :      -0.3125    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.9987      1.00000
      2     -10.9724      1.00000
      3     -10.9635      1.00000
      4     -10.8337      1.00000
      5      -0.5715      1.00000
      6      -0.5091      1.00000
      7      -0.4158      1.00000
      8      -0.3736      1.00000
      9      -0.3036      1.00000
     10       2.1173      1.00000
     11       3.8972      1.00000
     12       4.8371      0.47180
     13       5.5926      0.00000
     14       7.1405      0.00000
     15       7.8561      0.00000
     16       9.0770      0.00000
     17       9.1351      0.00000
     18       9.3690      0.00000

 k-point 113 :       0.5000    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.9989      1.00000
      2     -11.0350      1.00000
      3     -10.8515      1.00000
      4     -10.8479      1.00000
      5      -0.7203      1.00000
      6      -0.6149      1.00000
      7      -0.5833      1.00000
      8      -0.2817      1.00000
      9      -0.2713      1.00000
     10       1.3921      1.00000
     11       4.9133      0.18022
     12       4.9930      0.00667
     13       6.6467      0.00000
     14       7.0832      0.00000
     15       8.6878      0.00000
     16       9.0943      0.00000
     17       9.1082      0.00000
     18       9.3733      0.00000

 k-point 114 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.9984      1.00000
      2     -11.0293      1.00000
      3     -10.8741      1.00000
      4     -10.8507      1.00000
      5      -0.6913      1.00000
      6      -0.6067      1.00000
      7      -0.5578      1.00000
      8      -0.2938      1.00000
      9      -0.2695      1.00000
     10       1.4828      1.00000
     11       4.8776      0.30643
     12       5.0310     -0.02543
     13       6.2993      0.00000
     14       7.1761      0.00000
     15       8.5391      0.00000
     16       9.1663      0.00000
     17       9.2016      0.00000
     18       9.4762      0.00000

 k-point 115 :      -0.3750    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.9983      1.00000
      2     -11.0130      1.00000
      3     -10.9060      1.00000
      4     -10.8477      1.00000
      5      -0.6416      1.00000
      6      -0.5917      1.00000
      7      -0.5168      1.00000
      8      -0.3139      1.00000
      9      -0.2751      1.00000
     10       1.6482      1.00000
     11       4.6892      0.96200
     12       4.9952      0.00403
     13       5.9735      0.00000
     14       7.0861      0.00000
     15       8.3146      0.00000
     16       9.2097      0.00000
     17       9.2291      0.00000
     18       9.2762      0.00000

 k-point 116 :      -0.4375    0.5000    0.0625
  band No.  band energies     occupation
      1     -30.9984      1.00000
      2     -11.0404      1.00000
      3     -10.8563      1.00000
      4     -10.8534      1.00000
      5      -0.7277      1.00000
      6      -0.6171      1.00000
      7      -0.5909      1.00000
      8      -0.2772      1.00000
      9      -0.2659      1.00000
     10       1.3701      1.00000
     11       4.9680      0.04444
     12       5.1477     -0.02370
     13       6.6621      0.00000
     14       7.2058      0.00000
     15       8.6762      0.00000
     16       9.2272      0.00000
     17       9.2529      0.00000
     18       9.2893      0.00000

 k-point 117 :       0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0049      1.00000
      2     -10.9587      1.00000
      3     -10.8103      1.00000
      4     -10.7838      1.00000
      5      -0.6374      1.00000
      6      -0.5800      1.00000
      7      -0.4683      1.00000
      8      -0.3873      1.00000
      9      -0.3690      1.00000
     10       1.1204      1.00000
     11       4.2885      1.00043
     12       5.1383     -0.02586
     13       5.7883      0.00000
     14       6.7611      0.00000
     15       8.2479      0.00000
     16       8.5083      0.00000
     17       8.8543      0.00000
     18       9.2030      0.00000

 k-point 118 :       0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0030      1.00000
      2     -10.9936      1.00000
      3     -10.8354      1.00000
      4     -10.7977      1.00000
      5      -0.6049      1.00000
      6      -0.5549      1.00000
      7      -0.4159      1.00000
      8      -0.3634      1.00000
      9      -0.3559      1.00000
     10       1.5142      1.00000
     11       3.9479      1.00000
     12       4.9949      0.00441
     13       5.5895      0.00000
     14       6.9782      0.00000
     15       8.5047      0.00000
     16       8.5494      0.00000
     17       8.8102      0.00000
     18       9.1708      0.00000

 k-point 119 :       0.5000    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0013      1.00000
      2     -11.0219      1.00000
      3     -10.8564      1.00000
      4     -10.8103      1.00000
      5      -0.5598      1.00000
      6      -0.5162      1.00000
      7      -0.3855      1.00000
      8      -0.3624      1.00000
      9      -0.3388      1.00000
     10       1.9121      1.00000
     11       3.6168      1.00000
     12       4.9310      0.12834
     13       5.4212     -0.00012
     14       7.2392      0.00000
     15       8.3918      0.00000
     16       8.4955      0.00000
     17       8.8629      0.00000
     18       9.2093      0.00000

 k-point 120 :      -0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -31.0002      1.00000
      2     -11.0404      1.00000
      3     -10.8703      1.00000
      4     -10.8191      1.00000
      5      -0.5144      1.00000
      6      -0.4704      1.00000
      7      -0.3891      1.00000
      8      -0.3751      1.00000
      9      -0.3236      1.00000
     10       2.2659      1.00000
     11       3.3179      1.00000
     12       4.9300      0.13088
     13       5.3092     -0.00183
     14       7.4715      0.00000
     15       8.0754      0.00000
     16       8.5252      0.00000
     17       8.9787      0.00000
     18       9.5165      0.00000

 k-point 121 :      -0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.9998      1.00000
      2     -11.0468      1.00000
      3     -10.8751      1.00000
      4     -10.8223      1.00000
      5      -0.4919      1.00000
      6      -0.4330      1.00000
      7      -0.4142      1.00000
      8      -0.3799      1.00000
      9      -0.3176      1.00000
     10       2.4436      1.00000
     11       3.1616      1.00000
     12       4.9410      0.10225
     13       5.2694     -0.00405
     14       7.5664      0.00000
     15       7.9469      0.00000
     16       8.6972      0.00000
     17       8.7105      0.00000
     18       9.4778      0.00000

 k-point 122 :       0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0023      1.00000
      2     -10.9946      1.00000
      3     -10.8370      1.00000
      4     -10.8108      1.00000
      5      -0.6168      1.00000
      6      -0.6106      1.00000
      7      -0.4698      1.00000
      8      -0.3396      1.00000
      9      -0.3327      1.00000
     10       1.5078      1.00000
     11       4.0373      1.00000
     12       5.0202     -0.01903
     13       5.8994      0.00000
     14       6.8715      0.00000
     15       8.6223      0.00000
     16       8.7781      0.00000
     17       8.7927      0.00000
     18       9.2772      0.00000

 k-point 123 :       0.5000    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0008      1.00000
      2     -11.0106      1.00000
      3     -10.8628      1.00000
      4     -10.8240      1.00000
      5      -0.5907      1.00000
      6      -0.5791      1.00000
      7      -0.4375      1.00000
      8      -0.3442      1.00000
      9      -0.3137      1.00000
     10       1.7760      1.00000
     11       3.9065      1.00000
     12       4.9243      0.14700
     13       5.7208      0.00000
     14       7.1212      0.00000
     15       8.4368      0.00000
     16       8.7900      0.00000
     17       8.9142      0.00000
     18       9.1408      0.00000

 k-point 124 :      -0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.9997      1.00000
      2     -11.0181      1.00000
      3     -10.8868      1.00000
      4     -10.8333      1.00000
      5      -0.5605      1.00000
      6      -0.5337      1.00000
      7      -0.4221      1.00000
      8      -0.3666      1.00000
      9      -0.3017      1.00000
     10       2.0234      1.00000
     11       3.7615      1.00000
     12       4.9077      0.19846
     13       5.5388      0.00000
     14       7.3245      0.00000
     15       8.1781      0.00000
     16       8.7714      0.00000
     17       8.9899      0.00000
     18       9.3718      0.00000

 k-point 125 :      -0.3750    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.9992      1.00000
      2     -11.0184      1.00000
      3     -10.9038      1.00000
      4     -10.8363      1.00000
      5      -0.5422      1.00000
      6      -0.4811      1.00000
      7      -0.4114      1.00000
      8      -0.4010      1.00000
      9      -0.2987      1.00000
     10       2.2157      1.00000
     11       3.6126      1.00000
     12       4.9139      0.17849
     13       5.4081     -0.00017
     14       7.4006      0.00000
     15       8.0552      0.00000
     16       8.8216      0.00000
     17       8.8852      0.00000
     18       9.4608      0.00000

 k-point 126 :      -0.3125    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.9993      1.00000
      2     -11.0157      1.00000
      3     -10.9069      1.00000
      4     -10.8329      1.00000
      5      -0.5505      1.00000
      6      -0.4478      1.00000
      7      -0.4294      1.00000
      8      -0.3906      1.00000
      9      -0.3043      1.00000
     10       2.2804      1.00000
     11       3.5252      1.00000
     12       4.8738      0.32113
     13       5.3766     -0.00039
     14       7.4871      0.00000
     15       7.8699      0.00000
     16       8.7610      0.00000
     17       9.0526      0.00000
     18       9.5190      0.00000

 k-point 127 :      -0.2500    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0001      1.00000
      2     -11.0123      1.00000
      3     -10.8932      1.00000
      4     -10.8238      1.00000
      5      -0.5744      1.00000
      6      -0.4914      1.00000
      7      -0.3915      1.00000
      8      -0.3739      1.00000
      9      -0.3186      1.00000
     10       2.1475      1.00000
     11       3.5732      1.00000
     12       4.8380      0.46767
     13       5.4141     -0.00015
     14       7.4013      0.00000
     15       7.9605      0.00000
     16       8.7854      0.00000
     17       9.0960      0.00000
     18       9.3342      0.00000

 k-point 128 :      -0.1875    0.3125    0.1250
  band No.  band energies     occupation
      1     -31.0014      1.00000
      2     -11.0060      1.00000
      3     -10.8669      1.00000
      4     -10.8112      1.00000
      5      -0.5960      1.00000
      6      -0.5297      1.00000
      7      -0.3863      1.00000
      8      -0.3615      1.00000
      9      -0.3391      1.00000
     10       1.8603      1.00000
     11       3.7341      1.00000
     12       4.8770      0.30871
     13       5.4864     -0.00002
     14       7.1639      0.00000
     15       8.3562      0.00000
     16       8.7686      0.00000
     17       8.8962      0.00000
     18       9.0711      0.00000

 k-point 129 :       0.5000    0.3750    0.1250
  band No.  band energies     occupation
      1     -31.0002      1.00000
      2     -11.0135      1.00000
      3     -10.8592      1.00000
      4     -10.8372      1.00000
      5      -0.6367      1.00000
      6      -0.6041      1.00000
      7      -0.4940      1.00000
      8      -0.3225      1.00000
      9      -0.2940      1.00000
     10       1.6312      1.00000
     11       4.2483      1.00015
     12       4.9428      0.09778
     13       6.0184      0.00000
     14       7.0788      0.00000
     15       8.5082      0.00000
     16       8.9575      0.00000
     17       8.9759      0.00000
     18       9.0955      0.00000

 k-point 130 :      -0.4375    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.9992      1.00000
      2     -11.0113      1.00000
      3     -10.8863      1.00000
      4     -10.8479      1.00000
      5      -0.6004      1.00000
      6      -0.5895      1.00000
      7      -0.4703      1.00000
      8      -0.3419      1.00000
      9      -0.2832      1.00000
     10       1.7920      1.00000
     11       4.2621      1.00022
     12       4.8915      0.25437
     13       5.7455      0.00000
     14       7.3061      0.00000
     15       8.2889      0.00000
     16       8.9946      0.00000
     17       9.0493      0.00000
     18       9.2807      0.00000

 k-point 131 :      -0.3750    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.9987      1.00000
      2     -10.9989      1.00000
      3     -10.9178      1.00000
      4     -10.8506      1.00000
      5      -0.5806      1.00000
      6      -0.5455      1.00000
      7      -0.4476      1.00000
      8      -0.3733      1.00000
      9      -0.2812      1.00000
     10       1.9694      1.00000
     11       4.1555      1.00001
     12       4.8970      0.23462
     13       5.4908     -0.00002
     14       7.3819      0.00000
     15       8.1773      0.00000
     16       8.9678      0.00000
     17       9.0527      0.00000
     18       9.4770      0.00000

 k-point 132 :      -0.3125    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.9986      1.00000
      2     -10.9840      1.00000
      3     -10.9416      1.00000
      4     -10.8464      1.00000
      5      -0.5768      1.00000
      6      -0.4873      1.00000
      7      -0.4196      1.00000
      8      -0.4130      1.00000
      9      -0.2866      1.00000
     10       2.1337      1.00000
     11       3.9425      1.00000
     12       4.8469      0.43023
     13       5.4028     -0.00020
     14       7.4338      0.00000
     15       7.9243      0.00000
     16       9.0021      0.00000
     17       9.1321      0.00000
     18       9.3940      0.00000

 k-point 133 :      -0.2500    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.9992      1.00000
      2     -10.9943      1.00000
      3     -10.9276      1.00000
      4     -10.8368      1.00000
      5      -0.5785      1.00000
      6      -0.4553      1.00000
      7      -0.4329      1.00000
      8      -0.3919      1.00000
      9      -0.3002      1.00000
     10       2.2217      1.00000
     11       3.7004      1.00000
     12       4.8022      0.61786
     13       5.4121     -0.00015
     14       7.6186      0.00000
     15       7.6331      0.00000
     16       9.0041      0.00000
     17       9.0972      0.00000
     18       9.4191      0.00000

 k-point 134 :      -0.4375    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.9987      1.00000
      2     -11.0193      1.00000
      3     -10.8739      1.00000
      4     -10.8577      1.00000
      5      -0.6537      1.00000
      6      -0.6065      1.00000
      7      -0.5176      1.00000
      8      -0.3165      1.00000
      9      -0.2716      1.00000
     10       1.6044      1.00000
     11       4.7178      0.90258
     12       4.8979      0.23161
     13       5.9549      0.00000
     14       7.3230      0.00000
     15       8.4350      0.00000
     16       9.1055      0.00000
     17       9.1245      0.00000
     18       9.3200      0.00000

 k-point 135 :      -0.3750    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.9983      1.00000
      2     -11.0049      1.00000
      3     -10.9022      1.00000
      4     -10.8622      1.00000
      5      -0.6119      1.00000
      6      -0.6018      1.00000
      7      -0.4871      1.00000
      8      -0.3424      1.00000
      9      -0.2695      1.00000
     10       1.7491      1.00000
     11       4.6842      0.97018
     12       4.9149      0.17533
     13       5.5362      0.00000
     14       7.4663      0.00000
     15       8.3297      0.00000
     16       9.0959      0.00000
     17       9.1950      0.00000
     18       9.3622      0.00000

 k-point 136 :      -0.3125    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.9983      1.00000
      2     -10.9821      1.00000
      3     -10.9378      1.00000
      4     -10.8570      1.00000
      5      -0.5950      1.00000
      6      -0.5503      1.00000
      7      -0.4543      1.00000
      8      -0.3771      1.00000
      9      -0.2751      1.00000
     10       1.9362      1.00000
     11       4.3995      1.00471
     12       4.8815      0.29143
     13       5.3807     -0.00035
     14       7.4487      0.00000
     15       8.1202      0.00000
     16       9.1594      0.00000
     17       9.1898      0.00000
     18       9.3159      0.00000

 k-point 137 :      -0.3750    0.5000    0.1250
  band No.  band energies     occupation
      1     -30.9983      1.00000
      2     -11.0198      1.00000
      3     -10.8790      1.00000
      4     -10.8657      1.00000
      5      -0.6599      1.00000
      6      -0.6128      1.00000
      7      -0.5251      1.00000
      8      -0.3148      1.00000
      9      -0.2651      1.00000
     10       1.5810      1.00000
     11       4.8830      0.28568
     12       5.0274     -0.02353
     13       5.7953      0.00000
     14       7.4464      0.00000
     15       8.4837      0.00000
     16       9.2177      0.00000
     17       9.2344      0.00000
     18       9.2628      0.00000

 k-point 138 :      -0.4375    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.9997      1.00000
      2     -11.0069      1.00000
      3     -10.8910      1.00000
      4     -10.8391      1.00000
      5      -0.5901      1.00000
      6      -0.5490      1.00000
      7      -0.4237      1.00000
      8      -0.3675      1.00000
      9      -0.2971      1.00000
     10       1.9614      1.00000
     11       3.9265      1.00000
     12       4.8392      0.46285
     13       5.5727      0.00000
     14       7.3697      0.00000
     15       8.0868      0.00000
     16       8.9679      0.00000
     17       9.0749      0.00000
     18       9.4193      0.00000

 k-point 139 :      -0.3750    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.9989      1.00000
      2     -10.9965      1.00000
      3     -10.9165      1.00000
      4     -10.8506      1.00000
      5      -0.5831      1.00000
      6      -0.5048      1.00000
      7      -0.4225      1.00000
      8      -0.4044      1.00000
      9      -0.2853      1.00000
     10       2.0942      1.00000
     11       3.9498      1.00000
     12       4.8346      0.48218
     13       5.4000     -0.00021
     14       7.5634      0.00000
     15       7.9490      0.00000
     16       8.9802      0.00000
     17       9.0838      0.00000
     18       9.4293      0.00000

 k-point 140 :      -0.3125    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.9986      1.00000
      2     -10.9893      1.00000
      3     -10.9289      1.00000
      4     -10.8548      1.00000
      5      -0.5792      1.00000
      6      -0.4570      1.00000
      7      -0.4523      1.00000
      8      -0.4223      1.00000
      9      -0.2805      1.00000
     10       2.1433      1.00000
     11       3.9566      1.00000
     12       4.8654      0.35429
     13       5.3049     -0.00201
     14       7.5682      0.00000
     15       8.0305      0.00000
     16       8.9534      0.00000
     17       9.0111      0.00000
     18       9.4582      0.00000

 k-point 141 :      -0.3750    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.9985      1.00000
      2     -10.9961      1.00000
      3     -10.9068      1.00000
      4     -10.8655      1.00000
      5      -0.6004      1.00000
      6      -0.5622      1.00000
      7      -0.4544      1.00000
      8      -0.3742      1.00000
      9      -0.2730      1.00000
     10       1.9065      1.00000
     11       4.4117      1.00584
     12       4.8235      0.52910
     13       5.3995     -0.00022
     14       7.6166      0.00000
     15       8.1439      0.00000
     16       9.0964      0.00000
     17       9.1683      0.00000
     18       9.3604      0.00000

 k-point 142 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.9983      1.00000
      2     -10.9740      1.00000
      3     -10.9343      1.00000
      4     -10.8717      1.00000
      5      -0.6019      1.00000
      6      -0.5121      1.00000
      7      -0.4423      1.00000
      8      -0.4176      1.00000
      9      -0.2694      1.00000
     10       2.0171      1.00000
     11       4.4151      1.00619
     12       4.8426      0.44859
     13       5.1283     -0.02811
     14       7.7671      0.00000
     15       8.1114      0.00000
     16       9.0879      0.00000
     17       9.1546      0.00000
     18       9.3506      0.00000

 k-point 143 :      -0.2500    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.9984      1.00000
      2     -10.9683      1.00000
      3     -10.9448      1.00000
      4     -10.8652      1.00000
      5      -0.5966      1.00000
      6      -0.4632      1.00000
      7      -0.4571      1.00000
      8      -0.4296      1.00000
      9      -0.2738      1.00000
     10       2.0896      1.00000
     11       4.2088      1.00005
     12       4.8154      0.56306
     13       5.2070     -0.01145
     14       7.8136      0.00000
     15       7.8928      0.00000
     16       9.1175      0.00000
     17       9.1422      0.00000
     18       9.4386      0.00000

 k-point 144 :      -0.3125    0.5000    0.1875
  band No.  band energies     occupation
      1     -30.9981      1.00000
      2     -10.9885      1.00000
      3     -10.9123      1.00000
      4     -10.8778      1.00000
      5      -0.6103      1.00000
      6      -0.5668      1.00000
      7      -0.4642      1.00000
      8      -0.3788      1.00000
      9      -0.2649      1.00000
     10       1.8736      1.00000
     11       4.8193      0.54670
     12       4.9001      0.22385
     13       5.0119     -0.01270
     14       7.7489      0.00000
     15       8.2855      0.00000
     16       9.1762      0.00000
     17       9.2092      0.00000
     18       9.2617      0.00000

 k-point 145 :      -0.2500    0.5000    0.2500
  band No.  band energies     occupation
      1     -30.9981      1.00000
      2     -10.9508      1.00000
      3     -10.9508      1.00000
      4     -10.8828      1.00000
      5      -0.6095      1.00000
      6      -0.4666      1.00000
      7      -0.4666      1.00000
      8      -0.4416      1.00000
      9      -0.2649      1.00000
     10       2.0371      1.00000
     11       4.6729      0.98682
     12       4.8219      0.53570
     13       4.8219      0.53567
     14       8.0419      0.00000
     15       8.0419      0.00000
     16       9.0664      0.00000
     17       9.2062      0.00000
     18       9.4093      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x    18.7915    0.0000    3.4466    0.0000    1.8519    0.0000    0.3197    0.0000   -0.2314    0.0000
x    -0.0087    0.0000    0.0248    0.0000   -0.0086    0.0000    0.0014    0.0000   -0.0001    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    18.7915    0.0000    3.4466    0.0000    1.8519    0.0000    0.3197    0.0000   -0.2314    0.0000
y    -0.0087    0.0000    0.0248    0.0000   -0.0086    0.0000    0.0014    0.0000   -0.0001    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    18.7915    0.0000    3.4466    0.0000    1.8519    0.0000    0.3197    0.0000   -0.2314    0.0000
z    -0.0087    0.0000    0.0248    0.0000   -0.0086    0.0000    0.0014    0.0000   -0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x    22.0000    0.0000   -2.7156    0.0000    3.7257    0.0000   -1.3829    0.0000    0.0291    0.0000
x    -0.0012    0.0000    0.0135    0.0000   -0.0137    0.0000    0.0036    0.0000    0.0020    0.0000
x    -0.0003    0.0000   -0.0007    0.0000   -0.0001    0.0000    0.0002    0.0000    0.0001    0.0000
x     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    22.0000    0.0000   -2.7156    0.0000    3.7257    0.0000   -1.3829    0.0000    0.0291    0.0000
y    -0.0012    0.0000    0.0135    0.0000   -0.0137    0.0000    0.0036    0.0000    0.0020    0.0000
y    -0.0003    0.0000   -0.0007    0.0000   -0.0001    0.0000    0.0002    0.0000    0.0001    0.0000
y     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    22.0000    0.0000   -2.7156    0.0000    3.7257    0.0000   -1.3829    0.0000    0.0291    0.0000
z    -0.0012    0.0000    0.0135    0.0000   -0.0137    0.0000    0.0036    0.0000    0.0020    0.0000
z    -0.0003    0.0000   -0.0007    0.0000   -0.0001    0.0000    0.0002    0.0000    0.0001    0.0000
z     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000

 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x    -0.0036    0.0000   -0.0013    0.0000   -0.0008    0.0000   -0.0003    0.0000   -0.0001    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    -0.0036    0.0000   -0.0013    0.0000   -0.0008    0.0000   -0.0003    0.0000   -0.0001    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    -0.0036    0.0000   -0.0013    0.0000   -0.0008    0.0000   -0.0003    0.0000   -0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0074    0.0000    0.0003    0.0000    0.0000    0.0000   -0.0003    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0074    0.0000    0.0003    0.0000    0.0000    0.0000   -0.0003    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0074    0.0000    0.0003    0.0000    0.0000    0.0000   -0.0003    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000

 pseudopotential strength for first ion, spin component:           1
 34.146  -5.043   0.000   0.000   0.000   0.000   0.000   0.000
 -5.043  -5.660   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  10.336   0.000   0.000   0.031   0.000   0.000
  0.000   0.000   0.000  10.336   0.000   0.000   0.031   0.000
  0.000   0.000   0.000   0.000  10.336   0.000   0.000   0.031
  0.000   0.000   0.031   0.000   0.000   0.091   0.000   0.000
  0.000   0.000   0.000   0.031   0.000   0.000   0.091   0.000
  0.000   0.000   0.000   0.000   0.031   0.000   0.000   0.091
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.004   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.003   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
 34.146  -5.043   0.000   0.000   0.000   0.000   0.000   0.000
 -5.043  -5.660   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  10.335   0.000   0.000   0.030   0.000   0.000
  0.000   0.000   0.000  10.335   0.000   0.000   0.030   0.000
  0.000   0.000   0.000   0.000  10.335   0.000   0.000   0.030
  0.000   0.000   0.030   0.000   0.000   0.091   0.000   0.000
  0.000   0.000   0.000   0.030   0.000   0.000   0.091   0.000
  0.000   0.000   0.000   0.000   0.030   0.000   0.000   0.091
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.004   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.003   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  2.592  -0.956   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.956   1.541   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   2.051   0.000   0.000  -0.100   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   2.051   0.000   0.000  -0.100   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   2.051   0.000   0.000  -0.100   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.100   0.000   0.000   0.256   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.100   0.000   0.000   0.256   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.100   0.000   0.000   0.256   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.171   0.000   0.000   0.000   0.000  -0.061   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.171   0.000   0.000   0.000   0.000  -0.061   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.294   0.000   0.000   0.000   0.000  -0.134
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.171   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.294   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.061   0.000   0.000   0.000   0.000   0.026   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.061   0.000   0.000   0.000   0.000   0.026   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.134   0.000   0.000   0.000   0.000   0.068
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.061   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.134   0.000   0.000   0.000
  0.000   0.000   0.011   0.000   0.000  -0.025   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.009   0.000   0.000  -0.019   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.014   0.000   0.000   0.031   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.009   0.000   0.000  -0.019   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.011   0.000   0.000   0.025   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.008   0.000   0.000   0.032   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.006   0.000   0.000   0.025   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.010   0.000   0.000  -0.041   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.006   0.000   0.000   0.025   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.008   0.000   0.000  -0.032   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           2
 -0.001   0.002   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.002  -0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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





 total charge

# of ion     s       p       d       f       tot
------------------------------------------------
  1        2.102   5.549   0.490   0.055   8.196
  2        0.535   0.156   8.878   0.000   9.569
------------------------------------------------
tot        2.637   5.704   9.369   0.055  17.765




 magnetization (x)

# of ion     s       p       d       f       tot
------------------------------------------------
  1        0.000   0.000   0.002   0.000   0.002
  2        0.000   0.000   0.000   0.000   0.001
------------------------------------------------
tot        0.000   0.001   0.002   0.000   0.003


    CHARGE:  cpu time    3.98: real time    3.98
    FORLOC:  cpu time    0.01: real time    0.01
    FORNL :  cpu time    3.20: real time    3.20
    STRESS:  cpu time    5.90: real time    5.90
    FORCOR:  cpu time    0.36: real time    0.36
    FORHAR:  cpu time    0.04: real time    0.04
    MIXING:  cpu time    0.01: real time    0.01
    FORVDW:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   113.79117   113.79117   113.79117
  Ewald    -502.83368  -502.83368  -502.83368     0.00000     0.00000     0.00000
  Hartree   133.13720   133.13720   133.13720     0.00000     0.00000     0.00000
  E(xc)    -106.28226  -106.28226  -106.28226     0.00000     0.00000     0.00000
  Local      42.45092    42.45092    42.45092     0.00002     0.00002     0.00002
  n-local    17.03522    16.15449    19.57006    -4.89328     3.94421    -2.76564
  augment    15.24241    15.24241    15.24241    -0.00002    -0.00002    -0.00002
  Kinetic   284.14682   286.71321   288.99739     1.38912    -3.07034     1.37331
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.28851    -0.28851    -0.28851     0.00000     0.00000     0.00000
  in kB      -6.56658    -6.56658    -6.56658     0.00000     0.00000     0.00000
  external pressure =       -6.57 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      249.80
  volume of cell :       70.39
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  3.277184152  3.277184152    -0.152570004  0.152570004  0.152570004
     3.277184152  0.000000000  3.277184152     0.152570004 -0.152570004  0.152570004
     3.277184152  3.277184152  0.000000000     0.152570004  0.152570004 -0.152570004

  length of vectors
     4.634638274  4.634638274  4.634638274     0.264258999  0.264258999  0.264258999


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.320E-03 -.320E-03 -.320E-03   0.681E-03 0.681E-03 0.681E-03   0.127E-20 0.635E-21 -.217E-21   -.147E-06 -.147E-06 -.147E-06
   -.176E-02 -.176E-02 -.176E-02   -.681E-03 -.681E-03 -.681E-03   0.847E-21 0.000E+00 0.828E-21   0.138E-05 0.138E-05 0.138E-05
 -----------------------------------------------------------------------------------------------
   -.208E-02 -.208E-02 -.208E-02   0.118E-14 0.127E-14 -.395E-15   0.212E-20 0.635E-21 0.611E-21   0.123E-05 0.123E-05 0.123E-05


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      3.27719      3.27719      3.27719         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.002076     -0.002076     -0.002076


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -7.13897720 eV

  energy  without entropy=       -7.12895375  energy(sigma->0) =       -7.13563605

 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.1640866E-02-0.164E-02
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.1747540E+02 0.175E+02


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


    POTLOK:  cpu time    0.44: real time    0.44


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


 Steepest descent step on ions:
 trial-energy change:   -0.001641  1 .order   -0.003332   -0.016691    0.010027
  (g-gl).g = 0.167E-01      g.g   = 0.167E-01  gl.gl    = 0.000E+00
 g(Force)  = 0.128E-40   g(Stress)= 0.167E-01 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.53011  (harmonic =   0.62471) maximal distance =0.00000000
 next E    =    -7.141508   (d E  =  -0.00417)


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


    WAVPRE:  cpu time    0.04: real time    0.04
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.05: real time    0.05
    ORTHCH:  cpu time    0.63: real time    0.63
     LOOP+:  cpu time  437.87: real time  438.32


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


    POTLOK:  cpu time    0.36: real time    0.36
    SETDIJ:  cpu time    0.08: real time    0.08
     EDDAV:  cpu time   42.51: real time   42.52
       DOS:  cpu time    0.03: real time    0.04
    CHARGE:  cpu time    3.99: real time    3.99
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   46.98: real time   46.99

 eigenvalue-minimisations  : 14540
 total energy-change (2. order) :-0.6347793E-01  (-0.1126301E+00)
 number of electron      22.0000015 magnetization      -0.0070066
 augmentation part        3.1163548 magnetization      -0.0004777

 Broyden mixing:
  rms(total) = 0.13988E+00    rms(broyden)= 0.13984E+00
  rms(prec ) = 0.36857E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.64810979
  Ewald energy   TEWEN  =     -1516.66196528
  -1/2 Hartree   DENC   =      -401.45480811
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.81117710
  PAW double counting   =      1367.78028298    -1261.96534988
  entropy T*S    EENTRO =        -0.00979428
  eigenvalues    EBANDS =      -112.40521245
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.20245787 eV

  energy without entropy =       -7.19266360  energy(sigma->0) =       -7.19919312


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




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


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.42: real time    7.42
  RMM-DIIS:  cpu time   30.81: real time   30.81
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.97: real time    3.97
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   42.97: real time   42.99

 eigenvalue-minimisations  : 10858
 total energy-change (2. order) : 0.5205982E-01  (-0.2976838E-01)
 number of electron      22.0000015 magnetization      -0.0087972
 augmentation part        3.2265152 magnetization      -0.0005079

 Broyden mixing:
  rms(total) = 0.31958E-01    rms(broyden)= 0.31904E-01
  rms(prec ) = 0.97537E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9612
  0.9612

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.64810979
  Ewald energy   TEWEN  =     -1516.66196528
  -1/2 Hartree   DENC   =      -395.84403720
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.96240894
  PAW double counting   =      1360.24416765    -1254.37631531
  entropy T*S    EENTRO =        -0.00999733
  eigenvalues    EBANDS =      -117.86540789
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.15039805 eV

  energy without entropy =       -7.14040073  energy(sigma->0) =       -7.14706561


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




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


    POTLOK:  cpu time    0.35: real time    0.36
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.47: real time    7.47
  RMM-DIIS:  cpu time   31.94: real time   31.94
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.98: real time    3.98
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   44.16: real time   44.18

 eigenvalue-minimisations  : 11077
 total energy-change (2. order) : 0.6888734E-02  (-0.1246358E-02)
 number of electron      22.0000015 magnetization      -0.0142572
 augmentation part        3.2171083 magnetization      -0.0035436

 Broyden mixing:
  rms(total) = 0.17756E-01    rms(broyden)= 0.17752E-01
  rms(prec ) = 0.48030E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4545
  0.8845  2.0244

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.64810979
  Ewald energy   TEWEN  =     -1516.66196528
  -1/2 Hartree   DENC   =      -395.94880896
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.94776813
  PAW double counting   =      1363.12980340    -1257.36145177
  entropy T*S    EENTRO =        -0.00998628
  eigenvalues    EBANDS =      -117.66889853
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.14350932 eV

  energy without entropy =       -7.13352304  energy(sigma->0) =       -7.14018056


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




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


    POTLOK:  cpu time    0.35: real time    0.36
    SETDIJ:  cpu time    0.08: real time    0.08
    EDDIAG:  cpu time    7.47: real time    7.47
  RMM-DIIS:  cpu time   33.53: real time   33.56
    ORTHCH:  cpu time    0.29: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.95: real time    3.95
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   45.72: real time   45.75

 eigenvalue-minimisations  : 11656
 total energy-change (2. order) : 0.1833348E-02  (-0.1041396E-02)
 number of electron      22.0000015 magnetization      -0.0183733
 augmentation part        3.2087853 magnetization      -0.0008316

 Broyden mixing:
  rms(total) = 0.35133E-02    rms(broyden)= 0.35065E-02
  rms(prec ) = 0.10636E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3123
  1.9735  0.9816  0.9816

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.64810979
  Ewald energy   TEWEN  =     -1516.66196528
  -1/2 Hartree   DENC   =      -395.35434738
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.94699797
  PAW double counting   =      1366.66114149    -1260.99483865
  entropy T*S    EENTRO =        -0.00996375
  eigenvalues    EBANDS =      -118.16027068
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.14167597 eV

  energy without entropy =       -7.13171222  energy(sigma->0) =       -7.13835472


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




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


    POTLOK:  cpu time    0.34: real time    0.34
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.44: real time    7.45
  RMM-DIIS:  cpu time   32.21: real time   32.23
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    CHARGE:  cpu time    3.96: real time    3.96
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   44.37: real time   44.40

 eigenvalue-minimisations  : 10939
 total energy-change (2. order) : 0.2605043E-05  (-0.1113749E-03)
 number of electron      22.0000015 magnetization      -0.0307735
 augmentation part        3.2075827 magnetization      -0.0083788

 Broyden mixing:
  rms(total) = 0.21403E-02    rms(broyden)= 0.21371E-02
  rms(prec ) = 0.40370E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2513
  1.9148  0.9212  1.0845  1.0845

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.64810979
  Ewald energy   TEWEN  =     -1516.66196528
  -1/2 Hartree   DENC   =      -395.30458557
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.94978711
  PAW double counting   =      1367.41866412    -1261.73714692
  entropy T*S    EENTRO =        -0.00994614
  eigenvalues    EBANDS =      -118.22247270
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.14167336 eV

  energy without entropy =       -7.13172722  energy(sigma->0) =       -7.13835798


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




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


    POTLOK:  cpu time    0.35: real time    0.35
    SETDIJ:  cpu time    0.07: real time    0.07
    EDDIAG:  cpu time    7.44: real time    7.44
  RMM-DIIS:  cpu time   25.13: real time   25.14
    ORTHCH:  cpu time    0.30: real time    0.30
       DOS:  cpu time    0.04: real time    0.04
    --------------------------------------------
      LOOP:  cpu time   33.33: real time   33.36

 eigenvalue-minimisations  :  8091
 total energy-change (2. order) :-0.6208942E-04  (-0.2946003E-04)
 number of electron      22.0000015 magnetization      -0.0307735
 augmentation part        3.2075827 magnetization      -0.0083788

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.64810979
  Ewald energy   TEWEN  =     -1516.66196528
  -1/2 Hartree   DENC   =      -395.41148736
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -47.94961848
  PAW double counting   =      1369.03791730    -1263.34245389
  entropy T*S    EENTRO =        -0.00987971
  eigenvalues    EBANDS =      -118.12981427
  atomic energy  EATOM  =      1849.67745644
  ---------------------------------------------------
  free energy    TOTEN  =        -7.14173545 eV

  energy without entropy =       -7.13185574  energy(sigma->0) =       -7.13844222


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




 average (electrostatic) potential at core
  the test charge radii are     1.1898  1.1249
  (the norm of the test charge is              1.0000)
       1 -73.5132       2 -40.8020



 E-fermi :   4.9539     XC(G=0):  -9.6057     alpha+bet : -9.9865


 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8470      1.00000
      2     -10.5534      1.00000
      3     -10.5534      1.00000
      4     -10.5534      1.00000
      5      -0.6674      1.00000
      6      -0.6674      1.00000
      7      -0.4786      1.00000
      8      -0.4786      1.00000
      9      -0.4786      1.00000
     10      -0.4785      1.00000
     11       6.6661      0.00000
     12       6.6661      0.00000
     13       6.6661      0.00000
     14       7.7891      0.00000
     15       7.7891      0.00000
     16       7.7892      0.00000
     17       7.8211      0.00000
     18       8.3581      0.00000

 k-point   2 :       0.0625    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8464      1.00000
      2     -10.5704      1.00000
      3     -10.5567      1.00000
      4     -10.5567      1.00000
      5      -0.6524      1.00000
      6      -0.6524      1.00000
      7      -0.4737      1.00000
      8      -0.4710      1.00000
      9      -0.4710      1.00000
     10      -0.4064      1.00000
     11       6.4559      0.00000
     12       6.6501      0.00000
     13       6.6501      0.00000
     14       7.5437      0.00000
     15       7.5438      0.00000
     16       7.7610      0.00000
     17       8.0008      0.00000
     18       8.6157      0.00000

 k-point   3 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8449      1.00000
      2     -10.6183      1.00000
      3     -10.5661      1.00000
      4     -10.5661      1.00000
      5      -0.6092      1.00000
      6      -0.6092      1.00000
      7      -0.4620      1.00000
      8      -0.4494      1.00000
      9      -0.4494      1.00000
     10      -0.1955      1.00000
     11       6.0132      0.00000
     12       6.5237      0.00000
     13       6.5237      0.00000
     14       7.2863      0.00000
     15       7.2863      0.00000
     16       7.6775      0.00000
     17       8.3689      0.00000
     18       8.9880      0.00000

 k-point   4 :       0.1875    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8425      1.00000
      2     -10.6883      1.00000
      3     -10.5801      1.00000
      4     -10.5801      1.00000
      5      -0.5431      1.00000
      6      -0.5431      1.00000
      7      -0.4427      1.00000
      8      -0.4155      1.00000
      9      -0.4155      1.00000
     10       0.1388      1.00000
     11       5.4976     -0.00041
     12       6.2000      0.00000
     13       6.2000      0.00000
     14       7.2863      0.00000
     15       7.2864      0.00000
     16       7.5898      0.00000
     17       8.7544      0.00000
     18       9.2962      0.00000

 k-point   5 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8398      1.00000
      2     -10.7685      1.00000
      3     -10.5965      1.00000
      4     -10.5965      1.00000
      5      -0.4640      1.00000
      6      -0.4640      1.00000
      7      -0.4180      1.00000
      8      -0.3782      1.00000
      9      -0.3782      1.00000
     10       0.5727      1.00000
     11       4.9634      0.45984
     12       5.8105      0.00000
     13       5.8105      0.00000
     14       7.4514      0.00000
     15       7.4515      0.00000
     16       7.5420      0.00000
     17       9.0963      0.00000
     18       9.5241      0.00000

 k-point   6 :       0.3125    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8371      1.00000
      2     -10.8464      1.00000
      3     -10.6128      1.00000
      4     -10.6128      1.00000
      5      -0.3878      1.00000
      6      -0.3807      1.00000
      7      -0.3807      1.00000
      8      -0.3394      1.00000
      9      -0.3394      1.00000
     10       1.0748      1.00000
     11       4.4368      1.00078
     12       5.4568     -0.00108
     13       5.4569     -0.00108
     14       7.5678      0.00000
     15       7.7017      0.00000
     16       7.7018      0.00000
     17       9.3738      0.00000
     18       9.6006      0.00000

 k-point   7 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8347      1.00000
      2     -10.9106      1.00000
      3     -10.6265      1.00000
      4     -10.6265      1.00000
      5      -0.3585      1.00000
      6      -0.3109      1.00000
      7      -0.3109      1.00000
      8      -0.3025      1.00000
      9      -0.3025      1.00000
     10       1.6058      1.00000
     11       3.9320      1.00000
     12       5.1802     -0.03393
     13       5.1802     -0.03393
     14       7.6881      0.00000
     15       8.0026      0.00000
     16       8.0027      0.00000
     17       9.4033      0.00000
     18       9.4331      0.00000

 k-point   8 :       0.4375    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8332      1.00000
      2     -10.9526      1.00000
      3     -10.6356      1.00000
      4     -10.6356      1.00000
      5      -0.3359      1.00000
      6      -0.2857      1.00000
      7      -0.2857      1.00000
      8      -0.2541      1.00000
      9      -0.2541      1.00000
     10       2.1070      1.00000
     11       3.4708      1.00000
     12       5.0042      0.29448
     13       5.0042      0.29444
     14       7.8953      0.00000
     15       8.3167      0.00000
     16       8.3167      0.00000
     17       9.1517      0.00000
     18       9.1594      0.00000

 k-point   9 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8327      1.00000
      2     -10.9672      1.00000
      3     -10.6388      1.00000
      4     -10.6388      1.00000
      5      -0.3289      1.00000
      6      -0.2780      1.00000
      7      -0.2780      1.00000
      8      -0.2361      1.00000
      9      -0.2361      1.00000
     10       2.3853      1.00000
     11       3.2107      1.00000
     12       4.9438      0.54270
     13       4.9438      0.54265
     14       8.0416      0.00000
     15       8.5083      0.00000
     16       8.5088      0.00000
     17       8.9809      0.00000
     18       8.9908      0.00000

 k-point  10 :       0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8463      1.00000
      2     -10.5735      1.00000
      3     -10.5589      1.00000
      4     -10.5589      1.00000
      5      -0.6628      1.00000
      6      -0.6396      1.00000
      7      -0.4864      1.00000
      8      -0.4620      1.00000
      9      -0.4620      1.00000
     10      -0.3751      1.00000
     11       6.5075      0.00000
     12       6.5953      0.00000
     13       6.5953      0.00000
     14       7.1215      0.00000
     15       7.9136      0.00000
     16       7.9136      0.00000
     17       8.0055      0.00000
     18       8.3763      0.00000

 k-point  11 :       0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8450      1.00000
      2     -10.6094      1.00000
      3     -10.5673      1.00000
      4     -10.5663      1.00000
      5      -0.6433      1.00000
      6      -0.6057      1.00000
      7      -0.4870      1.00000
      8      -0.4410      1.00000
      9      -0.4390      1.00000
     10      -0.2001      1.00000
     11       6.1647      0.00000
     12       6.4917      0.00000
     13       6.5058      0.00000
     14       6.8205      0.00000
     15       7.7780      0.00000
     16       7.8989      0.00000
     17       8.3095      0.00000
     18       8.6643      0.00000

 k-point  12 :       0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8430      1.00000
      2     -10.6704      1.00000
      3     -10.5806      1.00000
      4     -10.5786      1.00000
      5      -0.5975      1.00000
      6      -0.5437      1.00000
      7      -0.4758      1.00000
      8      -0.4123      1.00000
      9      -0.4060      1.00000
     10       0.0965      1.00000
     11       5.6548      0.00000
     12       6.1182      0.00000
     13       6.3075      0.00000
     14       6.9130      0.00000
     15       7.6505      0.00000
     16       7.8109      0.00000
     17       8.6735      0.00000
     18       9.0365      0.00000

 k-point  13 :       0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8404      1.00000
      2     -10.7452      1.00000
      3     -10.5965      1.00000
      4     -10.5946      1.00000
      5      -0.5300      1.00000
      6      -0.4651      1.00000
      7      -0.4525      1.00000
      8      -0.3797      1.00000
      9      -0.3681      1.00000
     10       0.4952      1.00000
     11       5.1017      0.02730
     12       5.7539      0.00000
     13       6.0005      0.00000
     14       7.0974      0.00000
     15       7.7032      0.00000
     16       7.7390      0.00000
     17       9.0145      0.00000
     18       9.3273      0.00000

 k-point  14 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8376      1.00000
      2     -10.8217      1.00000
      3     -10.6128      1.00000
      4     -10.6118      1.00000
      5      -0.4502      1.00000
      6      -0.4218      1.00000
      7      -0.3821      1.00000
      8      -0.3447      1.00000
      9      -0.3306      1.00000
     10       0.9700      1.00000
     11       4.5582      1.00856
     12       5.4402     -0.00157
     13       5.6638      0.00000
     14       7.3149      0.00000
     15       7.7508      0.00000
     16       7.8857      0.00000
     17       9.3001      0.00000
     18       9.5072      0.00000

 k-point  15 :       0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8352      1.00000
      2     -10.8886      1.00000
      3     -10.6277      1.00000
      4     -10.6269      1.00000
      5      -0.3859      1.00000
      6      -0.3687      1.00000
      7      -0.3159      1.00000
      8      -0.3106      1.00000
      9      -0.2993      1.00000
     10       1.4876      1.00000
     11       4.0418      1.00000
     12       5.1964     -0.03543
     13       5.3626     -0.00693
     14       7.5238      0.00000
     15       7.9105      0.00000
     16       8.1413      0.00000
     17       9.3682      0.00000
     18       9.5235      0.00000

 k-point  16 :       0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8334      1.00000
      2     -10.9367      1.00000
      3     -10.6399      1.00000
      4     -10.6367      1.00000
      5      -0.3518      1.00000
      6      -0.2992      1.00000
      7      -0.2949      1.00000
      8      -0.2771      1.00000
      9      -0.2652      1.00000
     10       2.0053      1.00000
     11       3.5590      1.00000
     12       5.0400      0.17051
     13       5.1358     -0.01300
     14       7.7381      0.00000
     15       8.2002      0.00000
     16       8.4147      0.00000
     17       9.1156      0.00000
     18       9.1850      0.00000

 k-point  17 :       0.5000    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8325      1.00000
      2     -10.9598      1.00000
      3     -10.6465      1.00000
      4     -10.6408      1.00000
      5      -0.3315      1.00000
      6      -0.2849      1.00000
      7      -0.2750      1.00000
      8      -0.2529      1.00000
      9      -0.2488      1.00000
     10       2.4240      1.00000
     11       3.1684      1.00000
     12       4.9813      0.38533
     13       5.0080      0.28043
     14       7.9655      0.00000
     15       8.4872      0.00000
     16       8.5178      0.00000
     17       8.8762      0.00000
     18       9.0017      0.00000

 k-point  18 :      -0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8327      1.00000
      2     -10.9551      1.00000
      3     -10.6466      1.00000
      4     -10.6387      1.00000
      5      -0.3322      1.00000
      6      -0.2847      1.00000
      7      -0.2832      1.00000
      8      -0.2752      1.00000
      9      -0.2363      1.00000
     10       2.3187      1.00000
     11       3.2702      1.00000
     12       4.9938      0.33509
     13       5.0215      0.23150
     14       7.9712      0.00000
     15       8.2496      0.00000
     16       8.6178      0.00000
     17       8.8211      0.00000
     18       9.1941      0.00000

 k-point  19 :      -0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8339      1.00000
      2     -10.9231      1.00000
      3     -10.6402      1.00000
      4     -10.6305      1.00000
      5      -0.3537      1.00000
      6      -0.3340      1.00000
      7      -0.3057      1.00000
      8      -0.2877      1.00000
      9      -0.2597      1.00000
     10       1.8431      1.00000
     11       3.7162      1.00000
     12       5.0980      0.03322
     13       5.1523     -0.02423
     14       7.7997      0.00000
     15       7.9030      0.00000
     16       8.4071      0.00000
     17       9.0938      0.00000
     18       9.4754      0.00000

 k-point  20 :      -0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8360      1.00000
      2     -10.8679      1.00000
      3     -10.6281      1.00000
      4     -10.6176      1.00000
      5      -0.4092      1.00000
      6      -0.3848      1.00000
      7      -0.3382      1.00000
      8      -0.3142      1.00000
      9      -0.3074      1.00000
     10       1.3157      1.00000
     11       4.2201      1.00000
     12       5.3155     -0.01413
     13       5.3580     -0.00749
     14       7.5728      0.00000
     15       7.6971      0.00000
     16       8.1081      0.00000
     17       9.3858      0.00000
     18       9.4584      0.00000

 k-point  21 :      -0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8386      1.00000
      2     -10.7968      1.00000
      3     -10.6121      1.00000
      4     -10.6018      1.00000
      5      -0.4898      1.00000
      6      -0.4174      1.00000
      7      -0.3901      1.00000
      8      -0.3758      1.00000
      9      -0.3379      1.00000
     10       0.8034      1.00000
     11       4.7539      1.02516
     12       5.6160     -0.00001
     13       5.6335     -0.00001
     14       7.2855      0.00000
     15       7.6951      0.00000
     16       7.8416      0.00000
     17       9.2093      0.00000
     18       9.4464      0.00000

 k-point  22 :      -0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8413      1.00000
      2     -10.7198      1.00000
      3     -10.5946      1.00000
      4     -10.5854      1.00000
      5      -0.5636      1.00000
      6      -0.4728      1.00000
      7      -0.4442      1.00000
      8      -0.4133      1.00000
      9      -0.3748      1.00000
     10       0.3459      1.00000
     11       5.3048     -0.01625
     12       5.8980      0.00000
     13       6.0337      0.00000
     14       7.0535      0.00000
     15       7.6418      0.00000
     16       7.7708      0.00000
     17       8.9093      0.00000
     18       9.2237      0.00000

 k-point  23 :      -0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8437      1.00000
      2     -10.6488      1.00000
      3     -10.5780      1.00000
      4     -10.5711      1.00000
      5      -0.6187      1.00000
      6      -0.5508      1.00000
      7      -0.4634      1.00000
      8      -0.4450      1.00000
      9      -0.4121      1.00000
     10      -0.0247      1.00000
     11       5.8405      0.00000
     12       6.1721      0.00000
     13       6.4860      0.00000
     14       6.8903      0.00000
     15       7.5388      0.00000
     16       7.8713      0.00000
     17       8.5737      0.00000
     18       8.9064      0.00000

 k-point  24 :      -0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8455      1.00000
      2     -10.5959      1.00000
      3     -10.5646      1.00000
      4     -10.5610      1.00000
      5      -0.6486      1.00000
      6      -0.6133      1.00000
      7      -0.4732      1.00000
      8      -0.4648      1.00000
      9      -0.4464      1.00000
     10      -0.2830      1.00000
     11       6.2628      0.00000
     12       6.4343      0.00000
     13       6.7100      0.00000
     14       7.0504      0.00000
     15       7.5508      0.00000
     16       7.8846      0.00000
     17       8.2412      0.00000
     18       8.6410      0.00000

 k-point  25 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8442      1.00000
      2     -10.6275      1.00000
      3     -10.5746      1.00000
      4     -10.5746      1.00000
      5      -0.6498      1.00000
      6      -0.5973      1.00000
      7      -0.5076      1.00000
      8      -0.4164      1.00000
      9      -0.4163      1.00000
     10      -0.0503      1.00000
     11       6.1640      0.00000
     12       6.1984      0.00000
     13       6.4721      0.00000
     14       6.4721      0.00000
     15       8.1948      0.00000
     16       8.1949      0.00000
     17       8.3835      0.00000
     18       8.4145      0.00000

 k-point  26 :       0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8425      1.00000
      2     -10.6728      1.00000
      3     -10.5868      1.00000
      4     -10.5863      1.00000
      5      -0.6272      1.00000
      6      -0.5585      1.00000
      7      -0.5145      1.00000
      8      -0.3864      1.00000
      9      -0.3846      1.00000
     10       0.2131      1.00000
     11       5.6323     -0.00001
     12       5.9353      0.00000
     13       6.3798      0.00000
     14       6.5764      0.00000
     15       8.0750      0.00000
     16       8.2139      0.00000
     17       8.6785      0.00000
     18       8.7507      0.00000

 k-point  27 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8402      1.00000
      2     -10.7347      1.00000
      3     -10.6022      1.00000
      4     -10.6019      1.00000
      5      -0.5798      1.00000
      6      -0.5062      1.00000
      7      -0.4920      1.00000
      8      -0.3549      1.00000
      9      -0.3489      1.00000
     10       0.5665      1.00000
     11       5.0866      0.05363
     12       5.6484     -0.00001
     13       6.1875      0.00000
     14       6.7734      0.00000
     15       8.0150      0.00000
     16       8.1452      0.00000
     17       8.9883      0.00000
     18       9.1038      0.00000

 k-point  28 :       0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8376      1.00000
      2     -10.8019      1.00000
      3     -10.6209      1.00000
      4     -10.6177      1.00000
      5      -0.5126      1.00000
      6      -0.4814      1.00000
      7      -0.4157      1.00000
      8      -0.3242      1.00000
      9      -0.3142      1.00000
     10       0.9906      1.00000
     11       4.5672      1.00985
     12       5.4021     -0.00340
     13       5.9167      0.00000
     14       7.0034      0.00000
     15       8.1027      0.00000
     16       8.1102      0.00000
     17       9.2592      0.00000
     18       9.3359      0.00000

 k-point  29 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8352      1.00000
      2     -10.8638      1.00000
      3     -10.6399      1.00000
      4     -10.6317      1.00000
      5      -0.4454      1.00000
      6      -0.4342      1.00000
      7      -0.3480      1.00000
      8      -0.2997      1.00000
      9      -0.2849      1.00000
     10       1.4609      1.00000
     11       4.0820      1.00000
     12       5.2175     -0.03429
     13       5.6290     -0.00001
     14       7.2446      0.00000
     15       8.1580      0.00000
     16       8.3087      0.00000
     17       9.3104      0.00000
     18       9.4622      0.00000

 k-point  30 :       0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8333      1.00000
      2     -10.9117      1.00000
      3     -10.6563      1.00000
      4     -10.6418      1.00000
      5      -0.4015      1.00000
      6      -0.3556      1.00000
      7      -0.3048      1.00000
      8      -0.2851      1.00000
      9      -0.2663      1.00000
     10       1.9506      1.00000
     11       3.6248      1.00000
     12       5.1038      0.02416
     13       5.3769     -0.00542
     14       7.4828      0.00000
     15       8.3485      0.00000
     16       8.5382      0.00000
     17       9.0766      0.00000
     18       9.1618      0.00000

 k-point  31 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8321      1.00000
      2     -10.9392      1.00000
      3     -10.6675      1.00000
      4     -10.6466      1.00000
      5      -0.3595      1.00000
      6      -0.2958      1.00000
      7      -0.2904      1.00000
      8      -0.2854      1.00000
      9      -0.2608      1.00000
     10       2.4340      1.00000
     11       3.1806      1.00000
     12       5.0549      0.12728
     13       5.1953     -0.03541
     14       7.7445      0.00000
     15       8.5338      0.00000
     16       8.5439      0.00000
     17       8.8981      0.00000
     18       9.0046      0.00000

 k-point  32 :      -0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8320      1.00000
      2     -10.9430      1.00000
      3     -10.6719      1.00000
      4     -10.6454      1.00000
      5      -0.3326      1.00000
      6      -0.3224      1.00000
      7      -0.2939      1.00000
      8      -0.2736      1.00000
      9      -0.2447      1.00000
     10       2.6591      1.00000
     11       2.9706      1.00000
     12       5.0570      0.12149
     13       5.1070      0.01931
     14       8.0342      0.00000
     15       8.2173      0.00000
     16       8.3781      0.00000
     17       9.0619      0.00000
     18       9.2682      0.00000

 k-point  33 :      -0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8328      1.00000
      2     -10.9226      1.00000
      3     -10.6685      1.00000
      4     -10.6383      1.00000
      5      -0.3771      1.00000
      6      -0.3440      1.00000
      7      -0.2955      1.00000
      8      -0.2898      1.00000
      9      -0.2369      1.00000
     10       2.1877      1.00000
     11       3.4285      1.00000
     12       5.1021      0.02662
     13       5.1254     -0.00324
     14       7.8503      0.00000
     15       8.0617      0.00000
     16       8.5857      0.00000
     17       8.9017      0.00000
     18       9.4604      0.00000

 k-point  34 :      -0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8345      1.00000
      2     -10.8810      1.00000
      3     -10.6577      1.00000
      4     -10.6264      1.00000
      5      -0.4465      1.00000
      6      -0.3778      1.00000
      7      -0.3269      1.00000
      8      -0.2892      1.00000
      9      -0.2632      1.00000
     10       1.6688      1.00000
     11       3.9316      1.00000
     12       5.1905     -0.03517
     13       5.2537     -0.02770
     14       7.5095      0.00000
     15       8.0294      0.00000
     16       8.5570      0.00000
     17       9.0235      0.00000
     18       9.5847      0.00000

 k-point  35 :      -0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8368      1.00000
      2     -10.8239      1.00000
      3     -10.6408      1.00000
      4     -10.6115      1.00000
      5      -0.5163      1.00000
      6      -0.4120      1.00000
      7      -0.3631      1.00000
      8      -0.3194      1.00000
      9      -0.3042      1.00000
     10       1.1541      1.00000
     11       4.4685      1.00159
     12       5.3206     -0.01319
     13       5.4860     -0.00055
     14       7.2181      0.00000
     15       8.0730      0.00000
     16       8.2504      0.00000
     17       9.2547      0.00000
     18       9.3879      0.00000

 k-point  36 :      -0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8394      1.00000
      2     -10.7596      1.00000
      3     -10.6198      1.00000
      4     -10.5957      1.00000
      5      -0.5744      1.00000
      6      -0.4395      1.00000
      7      -0.3983      1.00000
      8      -0.3947      1.00000
      9      -0.3331      1.00000
     10       0.6796      1.00000
     11       5.0375      0.17835
     12       5.4831     -0.00059
     13       5.8070      0.00000
     14       6.9901      0.00000
     15       7.9576      0.00000
     16       8.1574      0.00000
     17       9.0437      0.00000
     18       9.1747      0.00000

 k-point  37 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8418      1.00000
      2     -10.6980      1.00000
      3     -10.5976      1.00000
      4     -10.5815      1.00000
      5      -0.6104      1.00000
      6      -0.4764      1.00000
      7      -0.4569      1.00000
      8      -0.4275      1.00000
      9      -0.3712      1.00000
     10       0.2773      1.00000
     11       5.6095     -0.00002
     12       5.6752      0.00000
     13       6.1850      0.00000
     14       6.8430      0.00000
     15       7.7264      0.00000
     16       8.1200      0.00000
     17       8.8742      0.00000
     18       8.8916      0.00000

 k-point  38 :       0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8412      1.00000
      2     -10.6994      1.00000
      3     -10.5977      1.00000
      4     -10.5977      1.00000
      5      -0.6300      1.00000
      6      -0.5531      1.00000
      7      -0.5412      1.00000
      8      -0.3551      1.00000
      9      -0.3551      1.00000
     10       0.4398      1.00000
     11       5.2774     -0.02227
     12       5.8867      0.00000
     13       6.4064      0.00000
     14       6.4064      0.00000
     15       8.4835      0.00000
     16       8.5130      0.00000
     17       8.5130      0.00000
     18       8.7826      0.00000

 k-point  39 :       0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8393      1.00000
      2     -10.7441      1.00000
      3     -10.6127      1.00000
      4     -10.6117      1.00000
      5      -0.6060      1.00000
      6      -0.5509      1.00000
      7      -0.5167      1.00000
      8      -0.3234      1.00000
      9      -0.3222      1.00000
     10       0.7399      1.00000
     11       4.8789      0.79400
     12       5.6623      0.00000
     13       6.3499      0.00000
     14       6.5210      0.00000
     15       8.3476      0.00000
     16       8.5507      0.00000
     17       8.8784      0.00000
     18       9.0235      0.00000

 k-point  40 :       0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8370      1.00000
      2     -10.7959      1.00000
      3     -10.6323      1.00000
      4     -10.6266      1.00000
      5      -0.5585      1.00000
      6      -0.5414      1.00000
      7      -0.4592      1.00000
      8      -0.2956      1.00000
      9      -0.2912      1.00000
     10       1.0902      1.00000
     11       4.4962      1.00282
     12       5.4202     -0.00238
     13       6.1891      0.00000
     14       6.7513      0.00000
     15       8.3537      0.00000
     16       8.5048      0.00000
     17       9.1566      0.00000
     18       9.2650      0.00000

 k-point  41 :       0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8348      1.00000
      2     -10.8455      1.00000
      3     -10.6551      1.00000
      4     -10.6400      1.00000
      5      -0.5135      1.00000
      6      -0.4930      1.00000
      7      -0.4009      1.00000
      8      -0.2748      1.00000
      9      -0.2652      1.00000
     10       1.4712      1.00000
     11       4.1364      1.00000
     12       5.2451     -0.02958
     13       5.9566      0.00000
     14       7.0146      0.00000
     15       8.4904      0.00000
     16       8.4953      0.00000
     17       9.2283      0.00000
     18       9.4525      0.00000

 k-point  42 :       0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8328      1.00000
      2     -10.8854      1.00000
      3     -10.6776      1.00000
      4     -10.6501      1.00000
      5      -0.4710      1.00000
      6      -0.4173      1.00000
      7      -0.3610      1.00000
      8      -0.2645      1.00000
      9      -0.2498      1.00000
     10       1.8659      1.00000
     11       3.7932      1.00000
     12       5.1503     -0.02312
     13       5.7088      0.00000
     14       7.2635      0.00000
     15       8.5923      0.00000
     16       8.6811      0.00000
     17       9.0336      0.00000
     18       9.1674      0.00000

 k-point  43 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8316      1.00000
      2     -10.9105      1.00000
      3     -10.6961      1.00000
      4     -10.6552      1.00000
      5      -0.4201      1.00000
      6      -0.3512      1.00000
      7      -0.3433      1.00000
      8      -0.2694      1.00000
      9      -0.2463      1.00000
     10       2.2611      1.00000
     11       3.4519      1.00000
     12       5.1090      0.01652
     13       5.4917     -0.00048
     14       7.4803      0.00000
     15       8.5854      0.00000
     16       8.6890      0.00000
     17       8.9876      0.00000
     18       9.0343      0.00000

 k-point  44 :      -0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8312      1.00000
      2     -10.9181      1.00000
      3     -10.7071      1.00000
      4     -10.6548      1.00000
      5      -0.3787      1.00000
      6      -0.3643      1.00000
      7      -0.2879      1.00000
      8      -0.2824      1.00000
      9      -0.2554      1.00000
     10       2.6239      1.00000
     11       3.1187      1.00000
     12       5.0767      0.07391
     13       5.3361     -0.01055
     14       7.7247      0.00000
     15       8.2221      0.00000
     16       8.5110      0.00000
     17       9.2620      0.00000
     18       9.2849      0.00000

 k-point  45 :      -0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8316      1.00000
      2     -10.9079      1.00000
      3     -10.7082      1.00000
      4     -10.6487      1.00000
      5      -0.4202      1.00000
      6      -0.3341      1.00000
      7      -0.3097      1.00000
      8      -0.2783      1.00000
      9      -0.2421      1.00000
     10       2.5419      1.00000
     11       3.1932      1.00000
     12       5.0433      0.16053
     13       5.2617     -0.02590
     14       7.8512      0.00000
     15       8.0712      0.00000
     16       8.4267      0.00000
     17       9.3376      0.00000
     18       9.4942      0.00000

 k-point  46 :      -0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8329      1.00000
      2     -10.8824      1.00000
      3     -10.6981      1.00000
      4     -10.6380      1.00000
      5      -0.4748      1.00000
      6      -0.3599      1.00000
      7      -0.3074      1.00000
      8      -0.2948      1.00000
      9      -0.2375      1.00000
     10       2.0858      1.00000
     11       3.6199      1.00000
     12       5.0399      0.17077
     13       5.2786     -0.02200
     14       7.5198      0.00000
     15       8.4327      0.00000
     16       8.5190      0.00000
     17       9.0346      0.00000
     18       9.4391      0.00000

 k-point  47 :      -0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8349      1.00000
      2     -10.8457      1.00000
      3     -10.6777      1.00000
      4     -10.6242      1.00000
      5      -0.5259      1.00000
      6      -0.3948      1.00000
      7      -0.3414      1.00000
      8      -0.2892      1.00000
      9      -0.2653      1.00000
     10       1.5861      1.00000
     11       4.1037      1.00000
     12       5.0945      0.03911
     13       5.3868     -0.00454
     14       7.2527      0.00000
     15       8.4899      0.00000
     16       8.6566      0.00000
     17       8.9760      0.00000
     18       9.2501      0.00000

 k-point  48 :      -0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8371      1.00000
      2     -10.8030      1.00000
      3     -10.6497      1.00000
      4     -10.6093      1.00000
      5      -0.5612      1.00000
      6      -0.4222      1.00000
      7      -0.3722      1.00000
      8      -0.3207      1.00000
      9      -0.3023      1.00000
     10       1.1040      1.00000
     11       4.6056      1.01677
     12       5.2238     -0.03345
     13       5.5732     -0.00005
     14       7.0689      0.00000
     15       8.2971      0.00000
     16       8.4518      0.00000
     17       9.0398      0.00000
     18       9.3418      0.00000

 k-point  49 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8377      1.00000
      2     -10.7717      1.00000
      3     -10.6245      1.00000
      4     -10.6244      1.00000
      5      -0.6055      1.00000
      6      -0.5802      1.00000
      7      -0.5151      1.00000
      8      -0.2921      1.00000
      9      -0.2921      1.00000
     10       0.9674      1.00000
     11       4.6348      1.02327
     12       5.6191     -0.00001
     13       6.4498      0.00000
     14       6.4498      0.00000
     15       8.5768      0.00000
     16       8.8025      0.00000
     17       8.8027      0.00000
     18       9.1441      0.00000

 k-point  50 :       0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8359      1.00000
      2     -10.8079      1.00000
      3     -10.6411      1.00000
      4     -10.6382      1.00000
      5      -0.5905      1.00000
      6      -0.5833      1.00000
      7      -0.4888      1.00000
      8      -0.2667      1.00000
      9      -0.2655      1.00000
     10       1.2167      1.00000
     11       4.4300      1.00067
     12       5.4496     -0.00128
     13       6.4410      0.00000
     14       6.5983      0.00000
     15       8.5736      0.00000
     16       8.8438      0.00000
     17       9.0201      0.00000
     18       9.3301      0.00000

 k-point  51 :       0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8339      1.00000
      2     -10.8428      1.00000
      3     -10.6643      1.00000
      4     -10.6507      1.00000
      5      -0.5772      1.00000
      6      -0.5369      1.00000
      7      -0.4508      1.00000
      8      -0.2477      1.00000
      9      -0.2431      1.00000
     10       1.4716      1.00000
     11       4.2651      1.00001
     12       5.2740     -0.02305
     13       6.3123      0.00000
     14       6.8527      0.00000
     15       8.6594      0.00000
     16       8.8226      0.00000
     17       9.1428      0.00000
     18       9.4573      0.00000

 k-point  52 :       0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8322      1.00000
      2     -10.8695      1.00000
      3     -10.6924      1.00000
      4     -10.6602      1.00000
      5      -0.5435      1.00000
      6      -0.4745      1.00000
      7      -0.4190      1.00000
      8      -0.2396      1.00000
      9      -0.2295      1.00000
     10       1.7308      1.00000
     11       4.1029      1.00000
     12       5.1704     -0.03171
     13       6.1053      0.00000
     14       7.1005      0.00000
     15       8.8307      0.00000
     16       8.8532      0.00000
     17       8.9911      0.00000
     18       9.2001      0.00000

 k-point  53 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8309      1.00000
      2     -10.8842      1.00000
      3     -10.7210      1.00000
      4     -10.6654      1.00000
      5      -0.4936      1.00000
      6      -0.4087      1.00000
      7      -0.4036      1.00000
      8      -0.2464      1.00000
      9      -0.2278      1.00000
     10       2.0010      1.00000
     11       3.9066      1.00000
     12       5.1309     -0.00867
     13       5.8751      0.00000
     14       7.2473      0.00000
     15       8.6382      0.00000
     16       8.9014      0.00000
     17       9.0770      0.00000
     18       9.0933      0.00000

 k-point  54 :      -0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8303      1.00000
      2     -10.8866      1.00000
      3     -10.7438      1.00000
      4     -10.6653      1.00000
      5      -0.4399      1.00000
      6      -0.4159      1.00000
      7      -0.3332      1.00000
      8      -0.2655      1.00000
      9      -0.2370      1.00000
     10       2.2795      1.00000
     11       3.6645      1.00000
     12       5.0824      0.06193
     13       5.6629      0.00000
     14       7.3509      0.00000
     15       8.2672      0.00000
     16       8.8052      0.00000
     17       9.2962      0.00000
     18       9.3863      0.00000

 k-point  55 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8305      1.00000
      2     -10.8805      1.00000
      3     -10.7534      1.00000
      4     -10.6601      1.00000
      5      -0.4545      1.00000
      6      -0.3731      1.00000
      7      -0.2954      1.00000
      8      -0.2763      1.00000
      9      -0.2558      1.00000
     10       2.5064      1.00000
     11       3.4193      1.00000
     12       5.0004      0.30914
     13       5.4948     -0.00044
     14       7.5853      0.00000
     15       7.9115      0.00000
     16       8.7974      0.00000
     17       9.4477      0.00000
     18       9.4879      0.00000

 k-point  56 :      -0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8315      1.00000
      2     -10.8715      1.00000
      3     -10.7434      1.00000
      4     -10.6504      1.00000
      5      -0.4877      1.00000
      6      -0.3340      1.00000
      7      -0.3233      1.00000
      8      -0.2836      1.00000
      9      -0.2416      1.00000
     10       2.4399      1.00000
     11       3.4150      1.00000
     12       4.9472      0.52865
     13       5.3877     -0.00446
     14       7.6100      0.00000
     15       7.9851      0.00000
     16       8.8386      0.00000
     17       9.2868      0.00000
     18       9.5130      0.00000

 k-point  57 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8330      1.00000
      2     -10.8610      1.00000
      3     -10.7152      1.00000
      4     -10.6379      1.00000
      5      -0.5153      1.00000
      6      -0.3674      1.00000
      7      -0.3135      1.00000
      8      -0.2967      1.00000
      9      -0.2382      1.00000
     10       2.0498      1.00000
     11       3.7160      1.00000
     12       4.9732      0.41911
     13       5.3513     -0.00833
     14       7.3858      0.00000
     15       8.4713      0.00000
     16       8.8057      0.00000
     17       9.0400      0.00000
     18       9.2385      0.00000

 k-point  58 :       0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8344      1.00000
      2     -10.8314      1.00000
      3     -10.6506      1.00000
      4     -10.6506      1.00000
      5      -0.6206      1.00000
      6      -0.5837      1.00000
      7      -0.4952      1.00000
      8      -0.2417      1.00000
      9      -0.2417      1.00000
     10       1.3386      1.00000
     11       4.4217      1.00055
     12       5.4074     -0.00307
     13       6.6128      0.00000
     14       6.6128      0.00000
     15       8.6873      0.00000
     16       9.0323      0.00000
     17       9.0327      0.00000
     18       9.3875      0.00000

 k-point  59 :       0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8328      1.00000
      2     -10.8555      1.00000
      3     -10.6672      1.00000
      4     -10.6621      1.00000
      5      -0.6268      1.00000
      6      -0.5618      1.00000
      7      -0.4847      1.00000
      8      -0.2234      1.00000
      9      -0.2225      1.00000
     10       1.4534      1.00000
     11       4.4646      1.00146
     12       5.2885     -0.01975
     13       6.6437      0.00000
     14       6.7917      0.00000
     15       8.7613      0.00000
     16       9.0684      0.00000
     17       9.1228      0.00000
     18       9.3823      0.00000

 k-point  60 :       0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8314      1.00000
      2     -10.8716      1.00000
      3     -10.6933      1.00000
      4     -10.6708      1.00000
      5      -0.6078      1.00000
      6      -0.5190      1.00000
      7      -0.4686      1.00000
      8      -0.2158      1.00000
      9      -0.2109      1.00000
     10       1.5823      1.00000
     11       4.4954      1.00278
     12       5.1787     -0.03366
     13       6.5269      0.00000
     14       7.0081      0.00000
     15       8.9041      0.00000
     16       9.0300      0.00000
     17       9.0763      0.00000
     18       9.2617      0.00000

 k-point  61 :       0.5000    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8303      1.00000
      2     -10.8751      1.00000
      3     -10.7274      1.00000
      4     -10.6755      1.00000
      5      -0.5666      1.00000
      6      -0.4604      1.00000
      7      -0.4600      1.00000
      8      -0.2206      1.00000
      9      -0.2088      1.00000
     10       1.7499      1.00000
     11       4.4290      1.00065
     12       5.1384     -0.01510
     13       6.3135      0.00000
     14       7.0864      0.00000
     15       8.7013      0.00000
     16       9.1169      0.00000
     17       9.1339      0.00000
     18       9.1935      0.00000

 k-point  62 :      -0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8297      1.00000
      2     -10.8645      1.00000
      3     -10.7648      1.00000
      4     -10.6754      1.00000
      5      -0.5098      1.00000
      6      -0.4606      1.00000
      7      -0.3939      1.00000
      8      -0.2377      1.00000
      9      -0.2170      1.00000
     10       1.9671      1.00000
     11       4.2454      1.00000
     12       5.0966      0.03561
     13       6.0585      0.00000
     14       7.0601      0.00000
     15       8.3559      0.00000
     16       9.0882      0.00000
     17       9.3306      0.00000
     18       9.4190      0.00000

 k-point  63 :      -0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8297      1.00000
      2     -10.8460      1.00000
      3     -10.7953      1.00000
      4     -10.6707      1.00000
      5      -0.4792      1.00000
      6      -0.4361      1.00000
      7      -0.3280      1.00000
      8      -0.2658      1.00000
      9      -0.2348      1.00000
     10       2.2216      1.00000
     11       3.9441      1.00000
     12       4.9984      0.31680
     13       5.8007      0.00000
     14       7.1829      0.00000
     15       8.0374      0.00000
     16       9.1124      0.00000
     17       9.3852      0.00000
     18       9.4928      0.00000

 k-point  64 :      -0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8303      1.00000
      2     -10.8518      1.00000
      3     -10.7845      1.00000
      4     -10.6619      1.00000
      5      -0.4868      1.00000
      6      -0.3755      1.00000
      7      -0.2984      1.00000
      8      -0.2732      1.00000
      9      -0.2577      1.00000
     10       2.4525      1.00000
     11       3.5751      1.00000
     12       4.9313      0.59510
     13       5.5687     -0.00006
     14       7.5166      0.00000
     15       7.7838      0.00000
     16       9.1111      0.00000
     17       9.2498      0.00000
     18       9.5985      0.00000

 k-point  65 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8317      1.00000
      2     -10.8729      1.00000
      3     -10.6724      1.00000
      4     -10.6724      1.00000
      5      -0.6546      1.00000
      6      -0.5653      1.00000
      7      -0.4997      1.00000
      8      -0.2051      1.00000
      9      -0.2051      1.00000
     10       1.4398      1.00000
     11       4.6862      1.03375
     12       5.2569     -0.02698
     13       6.8688      0.00000
     14       6.8689      0.00000
     15       8.8096      0.00000
     16       9.1922      0.00000
     17       9.1946      0.00000
     18       9.3941      0.00000

 k-point  66 :       0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8305      1.00000
      2     -10.8847      1.00000
      3     -10.6873      1.00000
      4     -10.6801      1.00000
      5      -0.6547      1.00000
      6      -0.5453      1.00000
      7      -0.5029      1.00000
      8      -0.1961      1.00000
      9      -0.1948      1.00000
     10       1.4637      1.00000
     11       4.8693      0.82510
     12       5.1818     -0.03419
     13       6.9069      0.00000
     14       7.0234      0.00000
     15       8.8898      0.00000
     16       9.1748      0.00000
     17       9.2199      0.00000
     18       9.3426      0.00000

 k-point  67 :       0.5000    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8297      1.00000
      2     -10.8849      1.00000
      3     -10.7141      1.00000
      4     -10.6840      1.00000
      5      -0.6278      1.00000
      6      -0.5065      1.00000
      7      -0.4991      1.00000
      8      -0.1989      1.00000
      9      -0.1929      1.00000
     10       1.5501      1.00000
     11       4.9022      0.71105
     12       5.1563     -0.02630
     13       6.7564      0.00000
     14       7.0482      0.00000
     15       8.7778      0.00000
     16       9.2075      0.00000
     17       9.2735      0.00000
     18       9.2953      0.00000

 k-point  68 :      -0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8293      1.00000
      2     -10.8712      1.00000
      3     -10.7509      1.00000
      4     -10.6836      1.00000
      5      -0.5790      1.00000
      6      -0.4933      1.00000
      7      -0.4531      1.00000
      8      -0.2127      1.00000
      9      -0.1996      1.00000
     10       1.7101      1.00000
     11       4.7507      1.02674
     12       5.1500     -0.02293
     13       6.4805      0.00000
     14       6.9189      0.00000
     15       8.4926      0.00000
     16       9.2997      0.00000
     17       9.3633      0.00000
     18       9.4229      0.00000

 k-point  69 :      -0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8293      1.00000
      2     -10.8460      1.00000
      3     -10.7911      1.00000
      4     -10.6789      1.00000
      5      -0.5172      1.00000
      6      -0.4823      1.00000
      7      -0.3910      1.00000
      8      -0.2367      1.00000
      9      -0.2145      1.00000
     10       1.9400      1.00000
     11       4.4374      1.00079
     12       5.0595      0.11513
     13       6.1440      0.00000
     14       6.9336      0.00000
     15       8.2329      0.00000
     16       9.3249      0.00000
     17       9.3408      0.00000
     18       9.4627      0.00000

 k-point  70 :       0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.8299      1.00000
      2     -10.8961      1.00000
      3     -10.6867      1.00000
      4     -10.6867      1.00000
      5      -0.6770      1.00000
      6      -0.5521      1.00000
      7      -0.5212      1.00000
      8      -0.1847      1.00000
      9      -0.1847      1.00000
     10       1.4047      1.00000
     11       5.1354     -0.01264
     12       5.1673     -0.03076
     13       7.1360      0.00000
     14       7.1360      0.00000
     15       8.9196      0.00000
     16       9.2787      0.00000
     17       9.2804      0.00000
     18       9.4086      0.00000

 k-point  71 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.8293      1.00000
      2     -10.8981      1.00000
      3     -10.6982      1.00000
      4     -10.6897      1.00000
      5      -0.6697      1.00000
      6      -0.5364      1.00000
      7      -0.5241      1.00000
      8      -0.1833      1.00000
      9      -0.1822      1.00000
     10       1.4229      1.00000
     11       5.1183      0.00458
     12       5.2690     -0.02422
     13       7.1155      0.00000
     14       7.1598      0.00000
     15       8.8833      0.00000
     16       9.2776      0.00000
     17       9.3134      0.00000
     18       9.4532      0.00000

 k-point  72 :      -0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.8291      1.00000
      2     -10.8884      1.00000
      3     -10.7218      1.00000
      4     -10.6886      1.00000
      5      -0.6350      1.00000
      6      -0.5143      1.00000
      7      -0.5022      1.00000
      8      -0.1935      1.00000
      9      -0.1879      1.00000
     10       1.5253      1.00000
     11       5.0175      0.24568
     12       5.2564     -0.02710
     13       6.8641      0.00000
     14       6.9954      0.00000
     15       8.6824      0.00000
     16       9.3832      0.00000
     17       9.4009      0.00000
     18       9.4420      0.00000

 k-point  73 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation
      1     -30.8292      1.00000
      2     -10.9035      1.00000
      3     -10.6917      1.00000
      4     -10.6917      1.00000
      5      -0.6845      1.00000
      6      -0.5474      1.00000
      7      -0.5332      1.00000
      8      -0.1777      1.00000
      9      -0.1777      1.00000
     10       1.3793      1.00000
     11       5.1380     -0.01475
     12       5.3558     -0.00775
     13       7.2608      0.00000
     14       7.2608      0.00000
     15       8.9689      0.00000
     16       9.2710      0.00000
     17       9.2871      0.00000
     18       9.4331      0.00000

 k-point  74 :       0.1875    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8436      1.00000
      2     -10.6488      1.00000
      3     -10.5806      1.00000
      4     -10.5743      1.00000
      5      -0.6321      1.00000
      6      -0.5603      1.00000
      7      -0.4911      1.00000
      8      -0.4223      1.00000
      9      -0.4036      1.00000
     10       0.0231      1.00000
     11       5.9673      0.00000
     12       5.9788      0.00000
     13       6.4963      0.00000
     14       6.6744      0.00000
     15       7.7698      0.00000
     16       8.0899      0.00000
     17       8.5849      0.00000
     18       8.7390      0.00000

 k-point  75 :       0.2500    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8414      1.00000
      2     -10.7081      1.00000
      3     -10.5983      1.00000
      4     -10.5868      1.00000
      5      -0.5983      1.00000
      6      -0.4887      1.00000
      7      -0.4816      1.00000
      8      -0.3950      1.00000
      9      -0.3656      1.00000
     10       0.3561      1.00000
     11       5.4003     -0.00352
     12       5.7348      0.00000
     13       6.1903      0.00000
     14       6.8229      0.00000
     15       7.8158      0.00000
     16       8.0944      0.00000
     17       8.8723      0.00000
     18       9.0082      0.00000

 k-point  76 :       0.3125    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8388      1.00000
      2     -10.7771      1.00000
      3     -10.6173      1.00000
      4     -10.6024      1.00000
      5      -0.5416      1.00000
      6      -0.4596      1.00000
      7      -0.4074      1.00000
      8      -0.3634      1.00000
      9      -0.3298      1.00000
     10       0.7767      1.00000
     11       4.8353      0.91684
     12       5.4962     -0.00043
     13       5.8559      0.00000
     14       7.0326      0.00000
     15       7.9692      0.00000
     16       8.0211      0.00000
     17       9.1451      0.00000
     18       9.2880      0.00000

 k-point  77 :       0.3750    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8363      1.00000
      2     -10.8445      1.00000
      3     -10.6354      1.00000
      4     -10.6185      1.00000
      5      -0.4687      1.00000
      6      -0.4263      1.00000
      7      -0.3328      1.00000
      8      -0.3295      1.00000
      9      -0.3007      1.00000
     10       1.2587      1.00000
     11       4.2996      1.00002
     12       5.2867     -0.02014
     13       5.5536     -0.00009
     14       7.2809      0.00000
     15       7.9775      0.00000
     16       8.2195      0.00000
     17       9.3335      0.00000
     18       9.4325      0.00000

 k-point  78 :       0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8341      1.00000
      2     -10.9004      1.00000
      3     -10.6501      1.00000
      4     -10.6324      1.00000
      5      -0.3939      1.00000
      6      -0.3860      1.00000
      7      -0.3025      1.00000
      8      -0.2846      1.00000
      9      -0.2760      1.00000
     10       1.7703      1.00000
     11       3.7965      1.00000
     12       5.1330     -0.01057
     13       5.3120     -0.01481
     14       7.5410      0.00000
     15       8.0604      0.00000
     16       8.5028      0.00000
     17       9.0574      0.00000
     18       9.4740      0.00000

 k-point  79 :       0.5000    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8326      1.00000
      2     -10.9372      1.00000
      3     -10.6598      1.00000
      4     -10.6417      1.00000
      5      -0.3508      1.00000
      6      -0.3261      1.00000
      7      -0.2911      1.00000
      8      -0.2737      1.00000
      9      -0.2512      1.00000
     10       2.2750      1.00000
     11       3.3224      1.00000
     12       5.0513      0.13726
     13       5.1473     -0.02133
     14       7.7967      0.00000
     15       8.2558      0.00000
     16       8.6491      0.00000
     17       8.8262      0.00000
     18       9.2194      0.00000

 k-point  80 :      -0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8321      1.00000
      2     -10.9500      1.00000
      3     -10.6631      1.00000
      4     -10.6451      1.00000
      5      -0.3321      1.00000
      6      -0.2948      1.00000
      7      -0.2937      1.00000
      8      -0.2694      1.00000
      9      -0.2489      1.00000
     10       2.6358      1.00000
     11       2.9770      1.00000
     12       5.0367      0.18090
     13       5.0788      0.06947
     14       7.9967      0.00000
     15       8.2447      0.00000
     16       8.6616      0.00000
     17       8.7770      0.00000
     18       9.2265      0.00000

 k-point  81 :       0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8407      1.00000
      2     -10.7164      1.00000
      3     -10.6042      1.00000
      4     -10.5967      1.00000
      5      -0.6112      1.00000
      6      -0.5226      1.00000
      7      -0.5151      1.00000
      8      -0.3598      1.00000
      9      -0.3477      1.00000
     10       0.5034      1.00000
     11       5.2003     -0.03545
     12       5.7057      0.00000
     13       6.3087      0.00000
     14       6.6003      0.00000
     15       8.1008      0.00000
     16       8.4166      0.00000
     17       8.8304      0.00000
     18       8.9237      0.00000

 k-point  82 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8384      1.00000
      2     -10.7709      1.00000
      3     -10.6248      1.00000
      4     -10.6108      1.00000
      5      -0.5754      1.00000
      6      -0.5142      1.00000
      7      -0.4471      1.00000
      8      -0.3309      1.00000
      9      -0.3131      1.00000
     10       0.8684      1.00000
     11       4.7453      1.02905
     12       5.4623     -0.00096
     13       6.1012      0.00000
     14       6.7804      0.00000
     15       8.1819      0.00000
     16       8.4196      0.00000
     17       9.0494      0.00000
     18       9.1879      0.00000

 k-point  83 :       0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8360      1.00000
      2     -10.8269      1.00000
      3     -10.6460      1.00000
      4     -10.6264      1.00000
      5      -0.5194      1.00000
      6      -0.4886      1.00000
      7      -0.3767      1.00000
      8      -0.3021      1.00000
      9      -0.2858      1.00000
     10       1.2862      1.00000
     11       4.3010      1.00002
     12       5.2713     -0.02368
     13       5.8426      0.00000
     14       7.0219      0.00000
     15       8.3571      0.00000
     16       8.3767      0.00000
     17       9.2446      0.00000
     18       9.4005      0.00000

 k-point  84 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8339      1.00000
      2     -10.8758      1.00000
      3     -10.6656      1.00000
      4     -10.6402      1.00000
      5      -0.4552      1.00000
      6      -0.4460      1.00000
      7      -0.3230      1.00000
      8      -0.2819      1.00000
      9      -0.2680      1.00000
     10       1.7330      1.00000
     11       3.8777      1.00000
     12       5.1513     -0.02370
     13       5.5942     -0.00003
     14       7.2839      0.00000
     15       8.3724      0.00000
     16       8.6234      0.00000
     17       9.0290      0.00000
     18       9.4243      0.00000

 k-point  85 :       0.5000    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8323      1.00000
      2     -10.9108      1.00000
      3     -10.6813      1.00000
      4     -10.6497      1.00000
      5      -0.4054      1.00000
      6      -0.3829      1.00000
      7      -0.2953      1.00000
      8      -0.2803      1.00000
      9      -0.2550      1.00000
     10       2.1854      1.00000
     11       3.4699      1.00000
     12       5.0970      0.03487
     13       5.3941     -0.00397
     14       7.5369      0.00000
     15       8.4636      0.00000
     16       8.6734      0.00000
     17       8.8894      0.00000
     18       9.2076      0.00000

 k-point  86 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8315      1.00000
      2     -10.9273      1.00000
      3     -10.6906      1.00000
      4     -10.6533      1.00000
      5      -0.3604      1.00000
      6      -0.3476      1.00000
      7      -0.2986      1.00000
      8      -0.2794      1.00000
      9      -0.2508      1.00000
     10       2.6213      1.00000
     11       3.0667      1.00000
     12       5.0797      0.06757
     13       5.2666     -0.02477
     14       7.7970      0.00000
     15       8.2173      0.00000
     16       8.7136      0.00000
     17       8.8569      0.00000
     18       9.3193      0.00000

 k-point  87 :      -0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8317      1.00000
      2     -10.9234      1.00000
      3     -10.6920      1.00000
      4     -10.6505      1.00000
      5      -0.3759      1.00000
      6      -0.3422      1.00000
      7      -0.3096      1.00000
      8      -0.2644      1.00000
      9      -0.2525      1.00000
     10       2.5911      1.00000
     11       3.0976      1.00000
     12       5.0712      0.08619
     13       5.2289     -0.03266
     14       7.8976      0.00000
     15       8.1333      0.00000
     16       8.4678      0.00000
     17       9.1162      0.00000
     18       9.3791      0.00000

 k-point  88 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8327      1.00000
      2     -10.8999      1.00000
      3     -10.6848      1.00000
      4     -10.6420      1.00000
      5      -0.4318      1.00000
      6      -0.3776      1.00000
      7      -0.2934      1.00000
      8      -0.2800      1.00000
      9      -0.2521      1.00000
     10       2.1258      1.00000
     11       3.5371      1.00000
     12       5.0796      0.06779
     13       5.2878     -0.01990
     14       7.5970      0.00000
     15       8.3221      0.00000
     16       8.5589      0.00000
     17       8.9750      0.00000
     18       9.4805      0.00000

 k-point  89 :      -0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8346      1.00000
      2     -10.8602      1.00000
      3     -10.6695      1.00000
      4     -10.6290      1.00000
      5      -0.4946      1.00000
      6      -0.4179      1.00000
      7      -0.3114      1.00000
      8      -0.2872      1.00000
      9      -0.2789      1.00000
     10       1.6340      1.00000
     11       4.0051      1.00000
     12       5.1356     -0.01279
     13       5.4363     -0.00170
     14       7.3045      0.00000
     15       8.3287      0.00000
     16       8.6334      0.00000
     17       8.9982      0.00000
     18       9.4100      0.00000

 k-point  90 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8368      1.00000
      2     -10.8101      1.00000
      3     -10.6478      1.00000
      4     -10.6139      1.00000
      5      -0.5497      1.00000
      6      -0.4518      1.00000
      7      -0.3424      1.00000
      8      -0.3387      1.00000
      9      -0.2984      1.00000
     10       1.1533      1.00000
     11       4.4976      1.00290
     12       5.2535     -0.02775
     13       5.6617      0.00000
     14       7.0562      0.00000
     15       8.3074      0.00000
     16       8.3985      0.00000
     17       9.1189      0.00000
     18       9.3580      0.00000

 k-point  91 :      -0.1250    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8393      1.00000
      2     -10.7568      1.00000
      3     -10.6227      1.00000
      4     -10.5990      1.00000
      5      -0.5867      1.00000
      6      -0.4742      1.00000
      7      -0.4126      1.00000
      8      -0.3719      1.00000
      9      -0.3273      1.00000
     10       0.7174      1.00000
     11       4.9924      0.34058
     12       5.4379     -0.00165
     13       5.9377      0.00000
     14       6.8808      0.00000
     15       8.0356      0.00000
     16       8.3538      0.00000
     17       8.9688      0.00000
     18       9.1422      0.00000

 k-point  92 :       0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8374      1.00000
      2     -10.7829      1.00000
      3     -10.6315      1.00000
      4     -10.6238      1.00000
      5      -0.5873      1.00000
      6      -0.5604      1.00000
      7      -0.4814      1.00000
      8      -0.2958      1.00000
      9      -0.2910      1.00000
     10       1.0296      1.00000
     11       4.5725      1.01066
     12       5.4892     -0.00051
     13       6.3161      0.00000
     14       6.6092      0.00000
     15       8.4103      0.00000
     16       8.7368      0.00000
     17       8.9366      0.00000
     18       9.2168      0.00000

 k-point  93 :       0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8353      1.00000
      2     -10.8238      1.00000
      3     -10.6540      1.00000
      4     -10.6382      1.00000
      5      -0.5525      1.00000
      6      -0.5490      1.00000
      7      -0.4285      1.00000
      8      -0.2713      1.00000
      9      -0.2662      1.00000
     10       1.3481      1.00000
     11       4.2982      1.00002
     12       5.2958     -0.01815
     13       6.1631      0.00000
     14       6.8301      0.00000
     15       8.5369      0.00000
     16       8.7311      0.00000
     17       9.1028      0.00000
     18       9.3924      0.00000

 k-point  94 :       0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8333      1.00000
      2     -10.8595      1.00000
      3     -10.6787      1.00000
      4     -10.6515      1.00000
      5      -0.5201      1.00000
      6      -0.4992      1.00000
      7      -0.3806      1.00000
      8      -0.2577      1.00000
      9      -0.2476      1.00000
     10       1.6783      1.00000
     11       4.0435      1.00000
     12       5.1658     -0.03023
     13       5.9480      0.00000
     14       7.0965      0.00000
     15       8.6983      0.00000
     16       8.7532      0.00000
     17       9.0091      0.00000
     18       9.3465      0.00000

 k-point  95 :       0.5000    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8317      1.00000
      2     -10.8849      1.00000
      3     -10.7029      1.00000
      4     -10.6606      1.00000
      5      -0.4749      1.00000
      6      -0.4404      1.00000
      7      -0.3498      1.00000
      8      -0.2614      1.00000
      9      -0.2346      1.00000
     10       2.0083      1.00000
     11       3.7885      1.00000
     12       5.1146      0.00905
     13       5.7284      0.00000
     14       7.3300      0.00000
     15       8.6665      0.00000
     16       8.7627      0.00000
     17       8.9748      0.00000
     18       9.2105      0.00000

 k-point  96 :      -0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8308      1.00000
      2     -10.8975      1.00000
      3     -10.7220      1.00000
      4     -10.6642      1.00000
      5      -0.4243      1.00000
      6      -0.4023      1.00000
      7      -0.3247      1.00000
      8      -0.2817      1.00000
      9      -0.2328      1.00000
     10       2.3221      1.00000
     11       3.5253      1.00000
     12       5.0947      0.03887
     13       5.5457     -0.00012
     14       7.4910      0.00000
     15       8.3534      0.00000
     16       8.8222      0.00000
     17       8.9731      0.00000
     18       9.3829      0.00000

 k-point  97 :      -0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8307      1.00000
      2     -10.8972      1.00000
      3     -10.7314      1.00000
      4     -10.6618      1.00000
      5      -0.4242      1.00000
      6      -0.3647      1.00000
      7      -0.3138      1.00000
      8      -0.2840      1.00000
      9      -0.2418      1.00000
     10       2.5460      1.00000
     11       3.3108      1.00000
     12       5.0508      0.13876
     13       5.4266     -0.00209
     14       7.6739      0.00000
     15       8.0497      0.00000
     16       8.6869      0.00000
     17       9.2361      0.00000
     18       9.5638      0.00000

 k-point  98 :      -0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8314      1.00000
      2     -10.8859      1.00000
      3     -10.7276      1.00000
      4     -10.6540      1.00000
      5      -0.4627      1.00000
      6      -0.3570      1.00000
      7      -0.3185      1.00000
      8      -0.2626      1.00000
      9      -0.2531      1.00000
     10       2.4339      1.00000
     11       3.3863      1.00000
     12       5.0002      0.30978
     13       5.3795     -0.00517
     14       7.6687      0.00000
     15       8.0656      0.00000
     16       8.6726      0.00000
     17       9.3379      0.00000
     18       9.5051      0.00000

 k-point  99 :      -0.2500    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8328      1.00000
      2     -10.8663      1.00000
      3     -10.7098      1.00000
      4     -10.6420      1.00000
      5      -0.5052      1.00000
      6      -0.3961      1.00000
      7      -0.2927      1.00000
      8      -0.2866      1.00000
      9      -0.2525      1.00000
     10       2.0447      1.00000
     11       3.7127      1.00000
     12       5.0003      0.30960
     13       5.4056     -0.00318
     14       7.3963      0.00000
     15       8.4917      0.00000
     16       8.7187      0.00000
     17       9.0612      0.00000
     18       9.2973      0.00000

 k-point 100 :      -0.1875    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8347      1.00000
      2     -10.8405      1.00000
      3     -10.6811      1.00000
      4     -10.6279      1.00000
      5      -0.5370      1.00000
      6      -0.4298      1.00000
      7      -0.3165      1.00000
      8      -0.2884      1.00000
      9      -0.2798      1.00000
     10       1.5905      1.00000
     11       4.1066      1.00000
     12       5.0825      0.06167
     13       5.5027     -0.00036
     14       7.1821      0.00000
     15       8.6673      0.00000
     16       8.6769      0.00000
     17       8.9556      0.00000
     18       9.1789      0.00000

 k-point 101 :       0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8342      1.00000
      2     -10.8362      1.00000
      3     -10.6583      1.00000
      4     -10.6513      1.00000
      5      -0.5982      1.00000
      6      -0.5651      1.00000
      7      -0.4681      1.00000
      8      -0.2440      1.00000
      9      -0.2433      1.00000
     10       1.4059      1.00000
     11       4.3504      1.00008
     12       5.3193     -0.01342
     13       6.4536      0.00000
     14       6.7404      0.00000
     15       8.6759      0.00000
     16       8.9952      0.00000
     17       9.0338      0.00000
     18       9.4357      0.00000

 k-point 102 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8324      1.00000
      2     -10.8594      1.00000
      3     -10.6821      1.00000
      4     -10.6640      1.00000
      5      -0.5825      1.00000
      6      -0.5320      1.00000
      7      -0.4361      1.00000
      8      -0.2337      1.00000
      9      -0.2243      1.00000
     10       1.5953      1.00000
     11       4.3056      1.00002
     12       5.1824     -0.03429
     13       6.3229      0.00000
     14       6.9864      0.00000
     15       8.8462      0.00000
     16       8.9551      0.00000
     17       9.0407      0.00000
     18       9.2910      0.00000

 k-point 103 :       0.5000    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8310      1.00000
      2     -10.8722      1.00000
      3     -10.7124      1.00000
      4     -10.6726      1.00000
      5      -0.5458      1.00000
      6      -0.4890      1.00000
      7      -0.4084      1.00000
      8      -0.2377      1.00000
      9      -0.2134      1.00000
     10       1.7975      1.00000
     11       4.2276      1.00000
     12       5.1148      0.00880
     13       6.1045      0.00000
     14       7.2024      0.00000
     15       8.7262      0.00000
     16       8.9863      0.00000
     17       9.0803      0.00000
     18       9.2693      0.00000

 k-point 104 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8301      1.00000
      2     -10.8729      1.00000
      3     -10.7444      1.00000
      4     -10.6759      1.00000
      5      -0.4943      1.00000
      6      -0.4563      1.00000
      7      -0.3779      1.00000
      8      -0.2567      1.00000
      9      -0.2125      1.00000
     10       2.0226      1.00000
     11       4.0718      1.00000
     12       5.0961      0.03646
     13       5.8678      0.00000
     14       7.2802      0.00000
     15       8.4616      0.00000
     16       9.0095      0.00000
     17       9.0914      0.00000
     18       9.4229      0.00000

 k-point 105 :      -0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8299      1.00000
      2     -10.8648      1.00000
      3     -10.7695      1.00000
      4     -10.6737      1.00000
      5      -0.4653      1.00000
      6      -0.4259      1.00000
      7      -0.3298      1.00000
      8      -0.2876      1.00000
      9      -0.2213      1.00000
     10       2.2586      1.00000
     11       3.8408      1.00000
     12       5.0365      0.18152
     13       5.6774      0.00000
     14       7.3516      0.00000
     15       8.1407      0.00000
     16       8.9777      0.00000
     17       9.2983      0.00000
     18       9.5234      0.00000

 k-point 106 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8303      1.00000
      2     -10.8594      1.00000
      3     -10.7731      1.00000
      4     -10.6664      1.00000
      5      -0.4816      1.00000
      6      -0.3690      1.00000
      7      -0.3253      1.00000
      8      -0.2824      1.00000
      9      -0.2387      1.00000
     10       2.4380      1.00000
     11       3.5892      1.00000
     12       4.9530      0.50388
     13       5.5435     -0.00012
     14       7.5906      0.00000
     15       7.8286      0.00000
     16       9.0063      0.00000
     17       9.3309      0.00000
     18       9.5674      0.00000

 k-point 107 :      -0.2500    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8313      1.00000
      2     -10.8637      1.00000
      3     -10.7485      1.00000
      4     -10.6552      1.00000
      5      -0.4989      1.00000
      6      -0.3638      1.00000
      7      -0.3208      1.00000
      8      -0.2623      1.00000
      9      -0.2536      1.00000
     10       2.3792      1.00000
     11       3.5184      1.00000
     12       4.9323      0.59080
     13       5.4490     -0.00129
     14       7.5676      0.00000
     15       8.0068      0.00000
     16       8.9905      0.00000
     17       9.1919      0.00000
     18       9.5155      0.00000

 k-point 108 :       0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8315      1.00000
      2     -10.8716      1.00000
      3     -10.6805      1.00000
      4     -10.6751      1.00000
      5      -0.6303      1.00000
      6      -0.5464      1.00000
      7      -0.4786      1.00000
      8      -0.2126      1.00000
      9      -0.2057      1.00000
     10       1.5118      1.00000
     11       4.6049      1.01662
     12       5.1964     -0.03543
     13       6.6569      0.00000
     14       6.9751      0.00000
     15       8.8633      0.00000
     16       9.0781      0.00000
     17       9.1740      0.00000
     18       9.3154      0.00000

 k-point 109 :       0.5000    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8304      1.00000
      2     -10.8777      1.00000
      3     -10.7055      1.00000
      4     -10.6838      1.00000
      5      -0.6077      1.00000
      6      -0.5220      1.00000
      7      -0.4613      1.00000
      8      -0.2148      1.00000
      9      -0.1957      1.00000
     10       1.6093      1.00000
     11       4.6920      1.03447
     12       5.1150      0.00857
     13       6.4648      0.00000
     14       7.1839      0.00000
     15       8.7736      0.00000
     16       9.1470      0.00000
     17       9.2038      0.00000
     18       9.2807      0.00000

 k-point 110 :      -0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8296      1.00000
      2     -10.8705      1.00000
      3     -10.7410      1.00000
      4     -10.6865      1.00000
      5      -0.5633      1.00000
      6      -0.4986      1.00000
      7      -0.4308      1.00000
      8      -0.2305      1.00000
      9      -0.1947      1.00000
     10       1.7639      1.00000
     11       4.6236      1.02068
     12       5.1075      0.01865
     13       6.1658      0.00000
     14       7.2313      0.00000
     15       8.5632      0.00000
     16       9.1768      0.00000
     17       9.2317      0.00000
     18       9.4353      0.00000

 k-point 111 :      -0.3750    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8293      1.00000
      2     -10.8492      1.00000
      3     -10.7820      1.00000
      4     -10.6841      1.00000
      5      -0.5083      1.00000
      6      -0.4834      1.00000
      7      -0.3828      1.00000
      8      -0.2572      1.00000
      9      -0.2023      1.00000
     10       1.9748      1.00000
     11       4.4007      1.00032
     12       5.0599      0.11389
     13       5.9074      0.00000
     14       7.1954      0.00000
     15       8.2795      0.00000
     16       9.2268      0.00000
     17       9.3467      0.00000
     18       9.5516      0.00000

 k-point 112 :      -0.3125    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8296      1.00000
      2     -10.8244      1.00000
      3     -10.8143      1.00000
      4     -10.6769      1.00000
      5      -0.4904      1.00000
      6      -0.4306      1.00000
      7      -0.3292      1.00000
      8      -0.2904      1.00000
      9      -0.2181      1.00000
     10       2.2205      1.00000
     11       4.0208      1.00000
     12       4.9740      0.41550
     13       5.7252      0.00000
     14       7.2981      0.00000
     15       8.0145      0.00000
     16       9.2368      0.00000
     17       9.2979      0.00000
     18       9.5292      0.00000

 k-point 113 :       0.5000    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.8298      1.00000
      2     -10.8903      1.00000
      3     -10.6951      1.00000
      4     -10.6914      1.00000
      5      -0.6515      1.00000
      6      -0.5368      1.00000
      7      -0.5018      1.00000
      8      -0.1953      1.00000
      9      -0.1846      1.00000
     10       1.4780      1.00000
     11       5.0638      0.10415
     12       5.1220      0.00035
     13       6.7961      0.00000
     14       7.2328      0.00000
     15       8.8434      0.00000
     16       9.2416      0.00000
     17       9.2686      0.00000
     18       9.3628      0.00000

 k-point 114 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.8292      1.00000
      2     -10.8841      1.00000
      3     -10.7193      1.00000
      4     -10.6944      1.00000
      5      -0.6212      1.00000
      6      -0.5265      1.00000
      7      -0.4767      1.00000
      8      -0.2077      1.00000
      9      -0.1827      1.00000
     10       1.5690      1.00000
     11       5.0088      0.27727
     12       5.1792     -0.03376
     13       6.4472      0.00000
     14       7.3285      0.00000
     15       8.6940      0.00000
     16       9.2744      0.00000
     17       9.3702      0.00000
     18       9.4265      0.00000

 k-point 115 :      -0.3750    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.8291      1.00000
      2     -10.8668      1.00000
      3     -10.7534      1.00000
      4     -10.6914      1.00000
      5      -0.5694      1.00000
      6      -0.5103      1.00000
      7      -0.4348      1.00000
      8      -0.2287      1.00000
      9      -0.1885      1.00000
     10       1.7381      1.00000
     11       4.8184      0.95178
     12       5.1424     -0.01808
     13       6.1162      0.00000
     14       7.2411      0.00000
     15       8.4765      0.00000
     16       9.3714      0.00000
     17       9.3865      0.00000
     18       9.4094      0.00000

 k-point 116 :      -0.4375    0.5000    0.0625
  band No.  band energies     occupation
      1     -30.8292      1.00000
      2     -10.8959      1.00000
      3     -10.7002      1.00000
      4     -10.6972      1.00000
      5      -0.6592      1.00000
      6      -0.5377      1.00000
      7      -0.5106      1.00000
      8      -0.1906      1.00000
      9      -0.1788      1.00000
     10       1.4530      1.00000
     11       5.0969      0.03499
     12       5.3033     -0.01655
     13       6.8125      0.00000
     14       7.3562      0.00000
     15       8.8310      0.00000
     16       9.3614      0.00000
     17       9.4165      0.00000
     18       9.4517      0.00000

 k-point 117 :       0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8363      1.00000
      2     -10.8102      1.00000
      3     -10.6516      1.00000
      4     -10.6239      1.00000
      5      -0.5608      1.00000
      6      -0.5052      1.00000
      7      -0.3826      1.00000
      8      -0.3048      1.00000
      9      -0.2852      1.00000
     10       1.2315      1.00000
     11       4.3993      1.00031
     12       5.2656     -0.02499
     13       5.9206      0.00000
     14       6.9092      0.00000
     15       8.4177      0.00000
     16       8.6602      0.00000
     17       9.0269      0.00000
     18       9.3903      0.00000

 k-point 118 :       0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8342      1.00000
      2     -10.8472      1.00000
      3     -10.6783      1.00000
      4     -10.6388      1.00000
      5      -0.5267      1.00000
      6      -0.4789      1.00000
      7      -0.3276      1.00000
      8      -0.2797      1.00000
      9      -0.2716      1.00000
     10       1.6290      1.00000
     11       4.0570      1.00000
     12       5.1220      0.00030
     13       5.7193      0.00000
     14       7.1288      0.00000
     15       8.6663      0.00000
     16       8.7218      0.00000
     17       8.9738      0.00000
     18       9.2648      0.00000

 k-point 119 :       0.5000    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8324      1.00000
      2     -10.8771      1.00000
      3     -10.7007      1.00000
      4     -10.6523      1.00000
      5      -0.4793      1.00000
      6      -0.4383      1.00000
      7      -0.2966      1.00000
      8      -0.2776      1.00000
      9      -0.2544      1.00000
     10       2.0287      1.00000
     11       3.7259      1.00000
     12       5.0598      0.11434
     13       5.5486     -0.00011
     14       7.3931      0.00000
     15       8.5637      0.00000
     16       8.6542      0.00000
     17       9.0358      0.00000
     18       9.3644      0.00000

 k-point 120 :      -0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8312      1.00000
      2     -10.8966      1.00000
      3     -10.7157      1.00000
      4     -10.6617      1.00000
      5      -0.4316      1.00000
      6      -0.3903      1.00000
      7      -0.3052      1.00000
      8      -0.2863      1.00000
      9      -0.2387      1.00000
     10       2.3827      1.00000
     11       3.4278      1.00000
     12       5.0618      0.10914
     13       5.4347     -0.00176
     14       7.6292      0.00000
     15       8.2387      0.00000
     16       8.6869      0.00000
     17       9.1234      0.00000
     18       9.4445      0.00000

 k-point 121 :      -0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8307      1.00000
      2     -10.9033      1.00000
      3     -10.7209      1.00000
      4     -10.6650      1.00000
      5      -0.4078      1.00000
      6      -0.3514      1.00000
      7      -0.3325      1.00000
      8      -0.2913      1.00000
      9      -0.2326      1.00000
     10       2.5602      1.00000
     11       3.2719      1.00000
     12       5.0743      0.07909
     13       5.3940     -0.00397
     14       7.7273      0.00000
     15       8.1057      0.00000
     16       8.8521      0.00000
     17       8.8955      0.00000
     18       9.6018      0.00000

 k-point 122 :       0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8334      1.00000
      2     -10.8481      1.00000
      3     -10.6799      1.00000
      4     -10.6525      1.00000
      5      -0.5390      1.00000
      6      -0.5371      1.00000
      7      -0.3839      1.00000
      8      -0.2547      1.00000
      9      -0.2480      1.00000
     10       1.6182      1.00000
     11       4.1513      1.00000
     12       5.1481     -0.02180
     13       6.0369      0.00000
     14       7.0197      0.00000
     15       8.7938      0.00000
     16       8.9352      0.00000
     17       8.9368      0.00000
     18       9.2262      0.00000

 k-point 123 :       0.5000    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8318      1.00000
      2     -10.8650      1.00000
      3     -10.7073      1.00000
      4     -10.6666      1.00000
      5      -0.5120      1.00000
      6      -0.5036      1.00000
      7      -0.3504      1.00000
      8      -0.2595      1.00000
      9      -0.2284      1.00000
     10       1.8848      1.00000
     11       4.0232      1.00000
     12       5.0532      0.13206
     13       5.8573      0.00000
     14       7.2730      0.00000
     15       8.6059      0.00000
     16       8.9515      0.00000
     17       9.0851      0.00000
     18       9.2870      0.00000

 k-point 124 :      -0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8306      1.00000
      2     -10.8727      1.00000
      3     -10.7330      1.00000
      4     -10.6765      1.00000
      5      -0.4797      1.00000
      6      -0.4561      1.00000
      7      -0.3350      1.00000
      8      -0.2826      1.00000
      9      -0.2160      1.00000
     10       2.1311      1.00000
     11       3.8796      1.00000
     12       5.0398      0.17110
     13       5.6724      0.00000
     14       7.4800      0.00000
     15       8.3428      0.00000
     16       8.9357      0.00000
     17       9.1493      0.00000
     18       9.4810      0.00000

 k-point 125 :      -0.3750    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8301      1.00000
      2     -10.8731      1.00000
      3     -10.7511      1.00000
      4     -10.6798      1.00000
      5      -0.4598      1.00000
      6      -0.4017      1.00000
      7      -0.3257      1.00000
      8      -0.3174      1.00000
      9      -0.2128      1.00000
     10       2.3244      1.00000
     11       3.7301      1.00000
     12       5.0489      0.14400
     13       5.5383     -0.00014
     14       7.5589      0.00000
     15       8.2157      0.00000
     16       8.9837      0.00000
     17       9.0240      0.00000
     18       9.6488      0.00000

 k-point 126 :      -0.3125    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8302      1.00000
      2     -10.8702      1.00000
      3     -10.7544      1.00000
      4     -10.6762      1.00000
      5      -0.4686      1.00000
      6      -0.3672      1.00000
      7      -0.3480      1.00000
      8      -0.3027      1.00000
      9      -0.2187      1.00000
     10       2.3928      1.00000
     11       3.6397      1.00000
     12       5.0072      0.28324
     13       5.5060     -0.00033
     14       7.6460      0.00000
     15       8.0305      0.00000
     16       8.9247      0.00000
     17       9.2218      0.00000
     18       9.6738      0.00000

 k-point 127 :      -0.2500    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8310      1.00000
      2     -10.8669      1.00000
      3     -10.7397      1.00000
      4     -10.6667      1.00000
      5      -0.4941      1.00000
      6      -0.4126      1.00000
      7      -0.3078      1.00000
      8      -0.2853      1.00000
      9      -0.2336      1.00000
     10       2.2637      1.00000
     11       3.6840      1.00000
     12       4.9679      0.44118
     13       5.5439     -0.00012
     14       7.5563      0.00000
     15       8.1264      0.00000
     16       8.9450      0.00000
     17       9.2599      0.00000
     18       9.5314      0.00000

 k-point 128 :      -0.1875    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8324      1.00000
      2     -10.8603      1.00000
      3     -10.7117      1.00000
      4     -10.6533      1.00000
      5      -0.5172      1.00000
      6      -0.4525      1.00000
      7      -0.2975      1.00000
      8      -0.2765      1.00000
      9      -0.2548      1.00000
     10       1.9772      1.00000
     11       3.8430      1.00000
     12       5.0046      0.29290
     13       5.6163     -0.00001
     14       7.3162      0.00000
     15       8.5271      0.00000
     16       8.9257      0.00000
     17       9.0624      0.00000
     18       9.2324      0.00000

 k-point 129 :       0.5000    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8311      1.00000
      2     -10.8678      1.00000
      3     -10.7035      1.00000
      4     -10.6805      1.00000
      5      -0.5643      1.00000
      6      -0.5253      1.00000
      7      -0.4093      1.00000
      8      -0.2372      1.00000
      9      -0.2079      1.00000
     10       1.7308      1.00000
     11       4.3769      1.00017
     12       5.0713      0.08603
     13       6.1620      0.00000
     14       7.2291      0.00000
     15       8.6744      0.00000
     16       9.1297      0.00000
     17       9.1405      0.00000
     18       9.2597      0.00000

 k-point 130 :      -0.4375    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8300      1.00000
      2     -10.8654      1.00000
      3     -10.7323      1.00000
      4     -10.6919      1.00000
      5      -0.5260      1.00000
      6      -0.5095      1.00000
      7      -0.3856      1.00000
      8      -0.2573      1.00000
      9      -0.1969      1.00000
     10       1.8906      1.00000
     11       4.3911      1.00025
     12       5.0224      0.22815
     13       5.8867      0.00000
     14       7.4598      0.00000
     15       8.4537      0.00000
     16       9.1499      0.00000
     17       9.2095      0.00000
     18       9.6461      0.00000

 k-point 131 :      -0.3750    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8295      1.00000
      2     -10.8521      1.00000
      3     -10.7660      1.00000
      4     -10.6949      1.00000
      5      -0.4998      1.00000
      6      -0.4686      1.00000
      7      -0.3628      1.00000
      8      -0.2900      1.00000
      9      -0.1947      1.00000
     10       2.0701      1.00000
     11       4.2811      1.00001
     12       5.0329      0.19288
     13       5.6262     -0.00001
     14       7.5390      0.00000
     15       8.3371      0.00000
     16       9.1244      0.00000
     17       9.1885      0.00000
     18       9.5700      0.00000

 k-point 132 :      -0.3125    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8294      1.00000
      2     -10.8364      1.00000
      3     -10.7912      1.00000
      4     -10.6905      1.00000
      5      -0.4956      1.00000
      6      -0.4084      1.00000
      7      -0.3339      1.00000
      8      -0.3310      1.00000
      9      -0.2005      1.00000
     10       2.2390      1.00000
     11       4.0641      1.00000
     12       4.9828      0.37941
     13       5.5349     -0.00016
     14       7.5932      0.00000
     15       8.0832      0.00000
     16       9.1667      0.00000
     17       9.2878      0.00000
     18       9.5175      0.00000

 k-point 133 :      -0.2500    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8300      1.00000
      2     -10.8477      1.00000
      3     -10.7762      1.00000
      4     -10.6804      1.00000
      5      -0.4978      1.00000
      6      -0.3752      1.00000
      7      -0.3517      1.00000
      8      -0.3039      1.00000
      9      -0.2146      1.00000
     10       2.3330      1.00000
     11       3.8165      1.00000
     12       4.9344      0.58237
     13       5.5437     -0.00012
     14       7.7808      0.00000
     15       7.7897      0.00000
     16       9.1609      0.00000
     17       9.2536      0.00000
     18       9.6286      0.00000

 k-point 134 :      -0.4375    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.8296      1.00000
      2     -10.8736      1.00000
      3     -10.7189      1.00000
      4     -10.7022      1.00000
      5      -0.5822      1.00000
      6      -0.5267      1.00000
      7      -0.4348      1.00000
      8      -0.2311      1.00000
      9      -0.1849      1.00000
     10       1.6955      1.00000
     11       4.8596      0.85426
     12       5.0269      0.21296
     13       6.1005      0.00000
     14       7.4753      0.00000
     15       8.5948      0.00000
     16       9.2589      0.00000
     17       9.2914      0.00000
     18       9.4415      0.00000

 k-point 135 :      -0.3750    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.8291      1.00000
      2     -10.8583      1.00000
      3     -10.7492      1.00000
      4     -10.7070      1.00000
      5      -0.5376      1.00000
      6      -0.5218      1.00000
      7      -0.4040      1.00000
      8      -0.2581      1.00000
      9      -0.1827      1.00000
     10       1.8427      1.00000
     11       4.8164      0.95551
     12       5.0538      0.13026
     13       5.6752      0.00000
     14       7.6216      0.00000
     15       8.4891      0.00000
     16       9.2424      0.00000
     17       9.3538      0.00000
     18       9.4444      0.00000

 k-point 136 :      -0.3125    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.8291      1.00000
      2     -10.8340      1.00000
      3     -10.7873      1.00000
      4     -10.7016      1.00000
      5      -0.5143      1.00000
      6      -0.4737      1.00000
      7      -0.3700      1.00000
      8      -0.2941      1.00000
      9      -0.1884      1.00000
     10       2.0349      1.00000
     11       4.5268      1.00504
     12       5.0216      0.23114
     13       5.5140     -0.00027
     14       7.6070      0.00000
     15       8.2792      0.00000
     16       9.3241      0.00000
     17       9.3375      0.00000
     18       9.4528      0.00000

 k-point 137 :      -0.3750    0.5000    0.1250
  band No.  band energies     occupation
      1     -30.8290      1.00000
      2     -10.8740      1.00000
      3     -10.7243      1.00000
      4     -10.7106      1.00000
      5      -0.5886      1.00000
      6      -0.5327      1.00000
      7      -0.4430      1.00000
      8      -0.2295      1.00000
      9      -0.1781      1.00000
     10       1.6695      1.00000
     11       5.0122      0.26487
     12       5.1764     -0.03320
     13       5.9381      0.00000
     14       7.5991      0.00000
     15       8.6403      0.00000
     16       9.2663      0.00000
     17       9.3945      0.00000
     18       9.4206      0.00000

 k-point 138 :      -0.4375    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.8306      1.00000
      2     -10.8609      1.00000
      3     -10.7372      1.00000
      4     -10.6828      1.00000
      5      -0.5102      1.00000
      6      -0.4727      1.00000
      7      -0.3366      1.00000
      8      -0.2834      1.00000
      9      -0.2112      1.00000
     10       2.0684      1.00000
     11       4.0464      1.00000
     12       4.9685      0.43871
     13       5.7097      0.00000
     14       7.5236      0.00000
     15       8.2522      0.00000
     16       9.1292      0.00000
     17       9.2169      0.00000
     18       9.4967      0.00000

 k-point 139 :      -0.3750    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.8297      1.00000
      2     -10.8498      1.00000
      3     -10.7644      1.00000
      4     -10.6950      1.00000
      5      -0.5021      1.00000
      6      -0.4266      1.00000
      7      -0.3368      1.00000
      8      -0.3215      1.00000
      9      -0.1990      1.00000
     10       2.2007      1.00000
     11       4.0705      1.00000
     12       4.9668      0.44570
     13       5.5347     -0.00016
     14       7.7206      0.00000
     15       8.1113      0.00000
     16       9.1401      0.00000
     17       9.2360      0.00000
     18       9.6173      0.00000

 k-point 140 :      -0.3125    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.8294      1.00000
      2     -10.8420      1.00000
      3     -10.7776      1.00000
      4     -10.6995      1.00000
      5      -0.4976      1.00000
      6      -0.3768      1.00000
      7      -0.3720      1.00000
      8      -0.3365      1.00000
      9      -0.1942      1.00000
     10       2.2497      1.00000
     11       4.0772      1.00000
     12       5.0004      0.30901
     13       5.4371     -0.00167
     14       7.7274      0.00000
     15       8.1893      0.00000
     16       9.1080      0.00000
     17       9.1697      0.00000
     18       9.5788      0.00000

 k-point 141 :      -0.3750    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.8293      1.00000
      2     -10.8491      1.00000
      3     -10.7540      1.00000
      4     -10.7108      1.00000
      5      -0.5200      1.00000
      6      -0.4865      1.00000
      7      -0.3698      1.00000
      8      -0.2911      1.00000
      9      -0.1863      1.00000
     10       2.0061      1.00000
     11       4.5416      1.00651
     12       4.9540      0.49990
     13       5.5380     -0.00014
     14       7.7719      0.00000
     15       8.3067      0.00000
     16       9.2534      0.00000
     17       9.2916      0.00000
     18       9.5257      0.00000

 k-point 142 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.8290      1.00000
      2     -10.8255      1.00000
      3     -10.7834      1.00000
      4     -10.7175      1.00000
      5      -0.5212      1.00000
      6      -0.4343      1.00000
      7      -0.3577      1.00000
      8      -0.3361      1.00000
      9      -0.1825      1.00000
     10       2.1194      1.00000
     11       4.5410      1.00645
     12       4.9776      0.40065
     13       5.2614     -0.02597
     14       7.9253      0.00000
     15       8.2698      0.00000
     16       9.2223      0.00000
     17       9.3449      0.00000
     18       9.4812      0.00000

 k-point 143 :      -0.2500    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.8292      1.00000
      2     -10.8197      1.00000
      3     -10.7945      1.00000
      4     -10.7106      1.00000
      5      -0.5157      1.00000
      6      -0.3835      1.00000
      7      -0.3770      1.00000
      8      -0.3444      1.00000
      9      -0.1871      1.00000
     10       2.1946      1.00000
     11       4.3317      1.00005
     12       4.9496      0.51847
     13       5.3401     -0.00993
     14       7.9749      0.00000
     15       8.0506      0.00000
     16       9.2688      0.00000
     17       9.3198      0.00000
     18       9.4918      0.00000

 k-point 144 :      -0.3125    0.5000    0.1875
  band No.  band energies     occupation
      1     -30.8289      1.00000
      2     -10.8408      1.00000
      3     -10.7598      1.00000
      4     -10.7240      1.00000
      5      -0.5299      1.00000
      6      -0.4914      1.00000
      7      -0.3804      1.00000
      8      -0.2958      1.00000
      9      -0.1780      1.00000
     10       1.9712      1.00000
     11       4.9502      0.51583
     12       5.0414      0.16629
     13       5.1418     -0.01765
     14       7.9043      0.00000
     15       8.4432      0.00000
     16       9.2645      0.00000
     17       9.3634      0.00000
     18       9.3973      0.00000

 k-point 145 :      -0.2500    0.5000    0.2500
  band No.  band energies     occupation
      1     -30.8289      1.00000
      2     -10.8008      1.00000
      3     -10.8008      1.00000
      4     -10.7294      1.00000
      5      -0.5289      1.00000
      6      -0.3871      1.00000
      7      -0.3871      1.00000
      8      -0.3570      1.00000
      9      -0.1780      1.00000
     10       2.1405      1.00000
     11       4.7954      0.98811
     12       4.9568      0.48788
     13       4.9568      0.48785
     14       8.1991      0.00000
     15       8.1991      0.00000
     16       9.3408      0.00000
     17       9.3676      0.00000
     18       9.3701      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8504      1.00000
      2     -10.5588      1.00000
      3     -10.5588      1.00000
      4     -10.5588      1.00000
      5      -0.6691      1.00000
      6      -0.6691      1.00000
      7      -0.4935      1.00000
      8      -0.4818      1.00000
      9      -0.4818      1.00000
     10      -0.4818      1.00000
     11       6.6515      0.00000
     12       6.6515      0.00000
     13       6.6515      0.00000
     14       7.7828      0.00000
     15       7.7828      0.00000
     16       7.7830      0.00000
     17       7.8003      0.00000
     18       8.3506      0.00000

 k-point   2 :       0.0625    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8498      1.00000
      2     -10.5759      1.00000
      3     -10.5621      1.00000
      4     -10.5621      1.00000
      5      -0.6541      1.00000
      6      -0.6541      1.00000
      7      -0.4769      1.00000
      8      -0.4741      1.00000
      9      -0.4741      1.00000
     10      -0.4214      1.00000
     11       6.4406      0.00000
     12       6.6357      0.00000
     13       6.6357      0.00000
     14       7.5366      0.00000
     15       7.5367      0.00000
     16       7.7513      0.00000
     17       7.9841      0.00000
     18       8.6090      0.00000

 k-point   3 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8483      1.00000
      2     -10.6239      1.00000
      3     -10.5715      1.00000
      4     -10.5715      1.00000
      5      -0.6108      1.00000
      6      -0.6108      1.00000
      7      -0.4652      1.00000
      8      -0.4525      1.00000
      9      -0.4525      1.00000
     10      -0.2105      1.00000
     11       5.9974      0.00000
     12       6.5108      0.00000
     13       6.5108      0.00000
     14       7.2774      0.00000
     15       7.2774      0.00000
     16       7.6665      0.00000
     17       8.3545      0.00000
     18       8.9820      0.00000

 k-point   4 :       0.1875    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8459      1.00000
      2     -10.6940      1.00000
      3     -10.5856      1.00000
      4     -10.5855      1.00000
      5      -0.5447      1.00000
      6      -0.5447      1.00000
      7      -0.4459      1.00000
      8      -0.4185      1.00000
      9      -0.4185      1.00000
     10       0.1241      1.00000
     11       5.4818     -0.00061
     12       6.1890      0.00000
     13       6.1890      0.00000
     14       7.2754      0.00000
     15       7.2754      0.00000
     16       7.5776      0.00000
     17       8.7417      0.00000
     18       9.2908      0.00000

 k-point   5 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8432      1.00000
      2     -10.7744      1.00000
      3     -10.6020      1.00000
      4     -10.6020      1.00000
      5      -0.4655      1.00000
      6      -0.4655      1.00000
      7      -0.4212      1.00000
      8      -0.3810      1.00000
      9      -0.3810      1.00000
     10       0.5580      1.00000
     11       4.9480      0.52531
     12       5.8002      0.00000
     13       5.8002      0.00000
     14       7.4399      0.00000
     15       7.4399      0.00000
     16       7.5286      0.00000
     17       9.0882      0.00000
     18       9.5140      0.00000

 k-point   6 :       0.3125    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8404      1.00000
      2     -10.8523      1.00000
      3     -10.6183      1.00000
      4     -10.6183      1.00000
      5      -0.3910      1.00000
      6      -0.3821      1.00000
      7      -0.3821      1.00000
      8      -0.3421      1.00000
      9      -0.3421      1.00000
     10       1.0600      1.00000
     11       4.4221      1.00055
     12       5.4467     -0.00136
     13       5.4467     -0.00136
     14       7.5532      0.00000
     15       7.6901      0.00000
     16       7.6902      0.00000
     17       9.3638      0.00000
     18       9.6117      0.00000

 k-point   7 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8381      1.00000
      2     -10.9167      1.00000
      3     -10.6320      1.00000
      4     -10.6320      1.00000
      5      -0.3616      1.00000
      6      -0.3129      1.00000
      7      -0.3129      1.00000
      8      -0.3044      1.00000
      9      -0.3044      1.00000
     10       1.5904      1.00000
     11       3.9185      1.00000
     12       5.1700     -0.03159
     13       5.1700     -0.03159
     14       7.6725      0.00000
     15       7.9914      0.00000
     16       7.9915      0.00000
     17       9.3974      0.00000
     18       9.4279      0.00000

 k-point   8 :       0.4375    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8365      1.00000
      2     -10.9588      1.00000
      3     -10.6411      1.00000
      4     -10.6411      1.00000
      5      -0.3389      1.00000
      6      -0.2881      1.00000
      7      -0.2881      1.00000
      8      -0.2554      1.00000
      9      -0.2554      1.00000
     10       2.0900      1.00000
     11       3.4593      1.00000
     12       4.9941      0.33397
     13       4.9941      0.33395
     14       7.8788      0.00000
     15       8.3060      0.00000
     16       8.3060      0.00000
     17       9.1442      0.00000
     18       9.1646      0.00000

 k-point   9 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation
      1     -30.8360      1.00000
      2     -10.9734      1.00000
      3     -10.6443      1.00000
      4     -10.6443      1.00000
      5      -0.3318      1.00000
      6      -0.2805      1.00000
      7      -0.2805      1.00000
      8      -0.2373      1.00000
      9      -0.2373      1.00000
     10       2.3659      1.00000
     11       3.2019      1.00000
     12       4.9336      0.58540
     13       4.9336      0.58538
     14       8.0243      0.00000
     15       8.4978      0.00000
     16       8.4979      0.00000
     17       8.9731      0.00000
     18       8.9805      0.00000

 k-point  10 :       0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8496      1.00000
      2     -10.5790      1.00000
      3     -10.5644      1.00000
      4     -10.5644      1.00000
      5      -0.6645      1.00000
      6      -0.6417      1.00000
      7      -0.4897      1.00000
      8      -0.4651      1.00000
      9      -0.4651      1.00000
     10      -0.3897      1.00000
     11       6.4915      0.00000
     12       6.5811      0.00000
     13       6.5811      0.00000
     14       7.1142      0.00000
     15       7.9070      0.00000
     16       7.9071      0.00000
     17       7.9865      0.00000
     18       8.3664      0.00000

 k-point  11 :       0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8484      1.00000
      2     -10.6149      1.00000
      3     -10.5728      1.00000
      4     -10.5718      1.00000
      5      -0.6449      1.00000
      6      -0.6079      1.00000
      7      -0.4903      1.00000
      8      -0.4441      1.00000
      9      -0.4420      1.00000
     10      -0.2143      1.00000
     11       6.1488      0.00000
     12       6.4795      0.00000
     13       6.4921      0.00000
     14       6.8101      0.00000
     15       7.7703      0.00000
     16       7.8891      0.00000
     17       8.2948      0.00000
     18       8.6576      0.00000

 k-point  12 :       0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8464      1.00000
      2     -10.6760      1.00000
      3     -10.5860      1.00000
      4     -10.5840      1.00000
      5      -0.5991      1.00000
      6      -0.5458      1.00000
      7      -0.4791      1.00000
      8      -0.4153      1.00000
      9      -0.4090      1.00000
     10       0.0823      1.00000
     11       5.6396     -0.00001
     12       6.1069      0.00000
     13       6.2951      0.00000
     14       6.9006      0.00000
     15       7.6414      0.00000
     16       7.8000      0.00000
     17       8.6609      0.00000
     18       9.0447      0.00000

 k-point  13 :       0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8438      1.00000
      2     -10.7510      1.00000
      3     -10.6020      1.00000
      4     -10.6000      1.00000
      5      -0.5316      1.00000
      6      -0.4670      1.00000
      7      -0.4557      1.00000
      8      -0.3825      1.00000
      9      -0.3709      1.00000
     10       0.4809      1.00000
     11       5.0871      0.05265
     12       5.7424      0.00000
     13       5.9891      0.00000
     14       7.0850      0.00000
     15       7.6929      0.00000
     16       7.7268      0.00000
     17       9.0038      0.00000
     18       9.3424      0.00000

 k-point  14 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8410      1.00000
      2     -10.8276      1.00000
      3     -10.6183      1.00000
      4     -10.6173      1.00000
      5      -0.4516      1.00000
      6      -0.4251      1.00000
      7      -0.3837      1.00000
      8      -0.3475      1.00000
      9      -0.3333      1.00000
     10       0.9556      1.00000
     11       4.5440      1.00679
     12       5.4287     -0.00200
     13       5.6530      0.00000
     14       7.3027      0.00000
     15       7.7374      0.00000
     16       7.8751      0.00000
     17       9.2902      0.00000
     18       9.4928      0.00000

 k-point  15 :       0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8386      1.00000
      2     -10.8947      1.00000
      3     -10.6332      1.00000
      4     -10.6324      1.00000
      5      -0.3891      1.00000
      6      -0.3701      1.00000
      7      -0.3184      1.00000
      8      -0.3122      1.00000
      9      -0.3018      1.00000
     10       1.4729      1.00000
     11       4.0283      1.00000
     12       5.1851     -0.03466
     13       5.3521     -0.00824
     14       7.5112      0.00000
     15       7.8968      0.00000
     16       8.1307      0.00000
     17       9.3600      0.00000
     18       9.4746      0.00000

 k-point  16 :       0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8367      1.00000
      2     -10.9428      1.00000
      3     -10.6454      1.00000
      4     -10.6422      1.00000
      5      -0.3549      1.00000
      6      -0.3006      1.00000
      7      -0.2974      1.00000
      8      -0.2795      1.00000
      9      -0.2665      1.00000
     10       1.9896      1.00000
     11       3.5468      1.00000
     12       5.0289      0.20623
     13       5.1255     -0.00339
     14       7.7244      0.00000
     15       8.1872      0.00000
     16       8.4043      0.00000
     17       9.1082      0.00000
     18       9.1747      0.00000

 k-point  17 :       0.5000    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8359      1.00000
      2     -10.9660      1.00000
      3     -10.6520      1.00000
      4     -10.6464      1.00000
      5      -0.3345      1.00000
      6      -0.2874      1.00000
      7      -0.2774      1.00000
      8      -0.2541      1.00000
      9      -0.2501      1.00000
     10       2.4056      1.00000
     11       3.1591      1.00000
     12       4.9702      0.43162
     13       4.9978      0.31941
     14       7.9507      0.00000
     15       8.4748      0.00000
     16       8.5069      0.00000
     17       8.8641      0.00000
     18       8.9795      0.00000

 k-point  18 :      -0.4375    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8361      1.00000
      2     -10.9613      1.00000
      3     -10.6521      1.00000
      4     -10.6442      1.00000
      5      -0.3352      1.00000
      6      -0.2868      1.00000
      7      -0.2857      1.00000
      8      -0.2769      1.00000
      9      -0.2375      1.00000
     10       2.3013      1.00000
     11       3.2598      1.00000
     12       4.9838      0.37536
     13       5.0101      0.27251
     14       7.9560      0.00000
     15       8.2385      0.00000
     16       8.6067      0.00000
     17       8.8109      0.00000
     18       9.1814      0.00000

 k-point  19 :      -0.3750    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8373      1.00000
      2     -10.9292      1.00000
      3     -10.6457      1.00000
      4     -10.6360      1.00000
      5      -0.3568      1.00000
      6      -0.3354      1.00000
      7      -0.3083      1.00000
      8      -0.2902      1.00000
      9      -0.2609      1.00000
     10       1.8278      1.00000
     11       3.7035      1.00000
     12       5.0882      0.05052
     13       5.1405     -0.01666
     14       7.7854      0.00000
     15       7.8912      0.00000
     16       8.3962      0.00000
     17       9.0857      0.00000
     18       9.5119      0.00000

 k-point  20 :      -0.3125    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8393      1.00000
      2     -10.8740      1.00000
      3     -10.6336      1.00000
      4     -10.6231      1.00000
      5      -0.4107      1.00000
      6      -0.3880      1.00000
      7      -0.3409      1.00000
      8      -0.3156      1.00000
      9      -0.3100      1.00000
     10       1.3011      1.00000
     11       4.2062      1.00000
     12       5.3060     -0.01601
     13       5.3457     -0.00911
     14       7.5605      0.00000
     15       7.6839      0.00000
     16       8.0970      0.00000
     17       9.4103      0.00000
     18       9.4540      0.00000

 k-point  21 :      -0.2500    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8419      1.00000
      2     -10.8027      1.00000
      3     -10.6176      1.00000
      4     -10.6072      1.00000
      5      -0.4914      1.00000
      6      -0.4206      1.00000
      7      -0.3915      1.00000
      8      -0.3786      1.00000
      9      -0.3406      1.00000
     10       0.7889      1.00000
     11       4.7393      1.03115
     12       5.6034     -0.00002
     13       5.6241     -0.00001
     14       7.2728      0.00000
     15       7.6829      0.00000
     16       7.8304      0.00000
     17       9.2008      0.00000
     18       9.4395      0.00000

 k-point  22 :      -0.1875    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8447      1.00000
      2     -10.7256      1.00000
      3     -10.6001      1.00000
      4     -10.5909      1.00000
      5      -0.5654      1.00000
      6      -0.4743      1.00000
      7      -0.4475      1.00000
      8      -0.4162      1.00000
      9      -0.3776      1.00000
     10       0.3314      1.00000
     11       5.2897     -0.01949
     12       5.8851      0.00000
     13       6.0245      0.00000
     14       7.0405      0.00000
     15       7.6307      0.00000
     16       7.7599      0.00000
     17       8.8987      0.00000
     18       9.2110      0.00000

 k-point  23 :      -0.1250    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8471      1.00000
      2     -10.6545      1.00000
      3     -10.5835      1.00000
      4     -10.5765      1.00000
      5      -0.6206      1.00000
      6      -0.5524      1.00000
      7      -0.4667      1.00000
      8      -0.4480      1.00000
      9      -0.4151      1.00000
     10      -0.0392      1.00000
     11       5.8247      0.00000
     12       6.1592      0.00000
     13       6.4762      0.00000
     14       6.8780      0.00000
     15       7.5285      0.00000
     16       7.8610      0.00000
     17       8.5611      0.00000
     18       8.9004      0.00000

 k-point  24 :      -0.0625    0.0625    0.0000
  band No.  band energies     occupation
      1     -30.8489      1.00000
      2     -10.6015      1.00000
      3     -10.5701      1.00000
      4     -10.5664      1.00000
      5      -0.6505      1.00000
      6      -0.6150      1.00000
      7      -0.4764      1.00000
      8      -0.4680      1.00000
      9      -0.4494      1.00000
     10      -0.2978      1.00000
     11       6.2466      0.00000
     12       6.4211      0.00000
     13       6.6954      0.00000
     14       7.0431      0.00000
     15       7.5421      0.00000
     16       7.8739      0.00000
     17       8.2275      0.00000
     18       8.6308      0.00000

 k-point  25 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8476      1.00000
      2     -10.6331      1.00000
      3     -10.5801      1.00000
      4     -10.5801      1.00000
      5      -0.6514      1.00000
      6      -0.6003      1.00000
      7      -0.5110      1.00000
      8      -0.4193      1.00000
      9      -0.4193      1.00000
     10      -0.0637      1.00000
     11       6.1558      0.00000
     12       6.1807      0.00000
     13       6.4584      0.00000
     14       6.4584      0.00000
     15       8.1880      0.00000
     16       8.1881      0.00000
     17       8.3676      0.00000
     18       8.4077      0.00000

 k-point  26 :       0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8459      1.00000
      2     -10.6784      1.00000
      3     -10.5923      1.00000
      4     -10.5918      1.00000
      5      -0.6288      1.00000
      6      -0.5614      1.00000
      7      -0.5180      1.00000
      8      -0.3893      1.00000
      9      -0.3875      1.00000
     10       0.1998      1.00000
     11       5.6225     -0.00001
     12       5.9184      0.00000
     13       6.3665      0.00000
     14       6.5628      0.00000
     15       8.0672      0.00000
     16       8.2050      0.00000
     17       8.6658      0.00000
     18       8.7445      0.00000

 k-point  27 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8436      1.00000
      2     -10.7405      1.00000
      3     -10.6077      1.00000
      4     -10.6074      1.00000
      5      -0.5813      1.00000
      6      -0.5097      1.00000
      7      -0.4945      1.00000
      8      -0.3577      1.00000
      9      -0.3516      1.00000
     10       0.5532      1.00000
     11       5.0753      0.07703
     12       5.6324     -0.00001
     13       6.1751      0.00000
     14       6.7603      0.00000
     15       8.0061      0.00000
     16       8.1351      0.00000
     17       8.9775      0.00000
     18       9.0979      0.00000

 k-point  28 :       0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8410      1.00000
      2     -10.8078      1.00000
      3     -10.6264      1.00000
      4     -10.6232      1.00000
      5      -0.5140      1.00000
      6      -0.4850      1.00000
      7      -0.4178      1.00000
      8      -0.3269      1.00000
      9      -0.3168      1.00000
     10       0.9772      1.00000
     11       4.5548      1.00811
     12       5.3871     -0.00451
     13       5.9052      0.00000
     14       6.9909      0.00000
     15       8.0913      0.00000
     16       8.1006      0.00000
     17       9.2495      0.00000
     18       9.3357      0.00000

 k-point  29 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8386      1.00000
      2     -10.8698      1.00000
      3     -10.6455      1.00000
      4     -10.6372      1.00000
      5      -0.4488      1.00000
      6      -0.4356      1.00000
      7      -0.3498      1.00000
      8      -0.3023      1.00000
      9      -0.2874      1.00000
     10       1.4475      1.00000
     11       4.0688      1.00000
     12       5.2032     -0.03539
     13       5.6181     -0.00001
     14       7.2327      0.00000
     15       8.1455      0.00000
     16       8.2989      0.00000
     17       9.3230      0.00000
     18       9.4625      0.00000

 k-point  30 :       0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8366      1.00000
      2     -10.9178      1.00000
      3     -10.6619      1.00000
      4     -10.6474      1.00000
      5      -0.4048      1.00000
      6      -0.3569      1.00000
      7      -0.3063      1.00000
      8      -0.2877      1.00000
      9      -0.2687      1.00000
     10       1.9369      1.00000
     11       3.6115      1.00000
     12       5.0901      0.04703
     13       5.3664     -0.00651
     14       7.4710      0.00000
     15       8.3354      0.00000
     16       8.5285      0.00000
     17       9.0688      0.00000
     18       9.1522      0.00000

 k-point  31 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8355      1.00000
      2     -10.9453      1.00000
      3     -10.6732      1.00000
      4     -10.6522      1.00000
      5      -0.3625      1.00000
      6      -0.2973      1.00000
      7      -0.2918      1.00000
      8      -0.2880      1.00000
      9      -0.2632      1.00000
     10       2.4195      1.00000
     11       3.1682      1.00000
     12       5.0414      0.16617
     13       5.1851     -0.03466
     14       7.7324      0.00000
     15       8.5208      0.00000
     16       8.5337      0.00000
     17       8.8941      0.00000
     18       9.0189      0.00000

 k-point  32 :      -0.4375    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8353      1.00000
      2     -10.9491      1.00000
      3     -10.6775      1.00000
      4     -10.6509      1.00000
      5      -0.3356      1.00000
      6      -0.3239      1.00000
      7      -0.2965      1.00000
      8      -0.2760      1.00000
      9      -0.2460      1.00000
     10       2.6418      1.00000
     11       2.9610      1.00000
     12       5.0432      0.16079
     13       5.0972      0.03456
     14       8.0220      0.00000
     15       8.2058      0.00000
     16       8.3658      0.00000
     17       9.0549      0.00000
     18       9.2196      0.00000

 k-point  33 :      -0.3750    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8362      1.00000
      2     -10.9287      1.00000
      3     -10.6742      1.00000
      4     -10.6439      1.00000
      5      -0.3786      1.00000
      6      -0.3471      1.00000
      7      -0.2980      1.00000
      8      -0.2924      1.00000
      9      -0.2381      1.00000
     10       2.1732      1.00000
     11       3.4163      1.00000
     12       5.0875      0.05180
     13       5.1159      0.00752
     14       7.8381      0.00000
     15       8.0498      0.00000
     16       8.5744      0.00000
     17       8.8918      0.00000
     18       9.4563      0.00000

 k-point  34 :      -0.3125    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8379      1.00000
      2     -10.8870      1.00000
      3     -10.6633      1.00000
      4     -10.6320      1.00000
      5      -0.4481      1.00000
      6      -0.3810      1.00000
      7      -0.3295      1.00000
      8      -0.2917      1.00000
      9      -0.2645      1.00000
     10       1.6547      1.00000
     11       3.9189      1.00000
     12       5.1751     -0.03291
     13       5.2446     -0.02966
     14       7.4966      0.00000
     15       8.0183      0.00000
     16       8.5464      0.00000
     17       9.0141      0.00000
     18       9.5601      0.00000

 k-point  35 :      -0.2500    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8402      1.00000
      2     -10.8298      1.00000
      3     -10.6463      1.00000
      4     -10.6170      1.00000
      5      -0.5182      1.00000
      6      -0.4153      1.00000
      7      -0.3659      1.00000
      8      -0.3208      1.00000
      9      -0.3068      1.00000
     10       1.1401      1.00000
     11       4.4557      1.00121
     12       5.3045     -0.01630
     13       5.4774     -0.00067
     14       7.2045      0.00000
     15       8.0623      0.00000
     16       8.2400      0.00000
     17       9.2935      0.00000
     18       9.3826      0.00000

 k-point  36 :      -0.1875    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8428      1.00000
      2     -10.7654      1.00000
      3     -10.6253      1.00000
      4     -10.6012      1.00000
      5      -0.5764      1.00000
      6      -0.4428      1.00000
      7      -0.4012      1.00000
      8      -0.3961      1.00000
      9      -0.3358      1.00000
     10       0.6655      1.00000
     11       5.0249      0.21978
     12       5.4667     -0.00087
     13       5.7988      0.00000
     14       6.9759      0.00000
     15       7.9462      0.00000
     16       8.1479      0.00000
     17       9.0355      0.00000
     18       9.1682      0.00000

 k-point  37 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation
      1     -30.8452      1.00000
      2     -10.7037      1.00000
      3     -10.6031      1.00000
      4     -10.5870      1.00000
      5      -0.6124      1.00000
      6      -0.4779      1.00000
      7      -0.4602      1.00000
      8      -0.4305      1.00000
      9      -0.3740      1.00000
     10       0.2631      1.00000
     11       5.5980     -0.00003
     12       5.6577      0.00000
     13       6.1773      0.00000
     14       6.8285      0.00000
     15       7.7154      0.00000
     16       8.1101      0.00000
     17       8.8635      0.00000
     18       8.8838      0.00000

 k-point  38 :       0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8446      1.00000
      2     -10.7052      1.00000
      3     -10.6033      1.00000
      4     -10.6032      1.00000
      5      -0.6316      1.00000
      6      -0.5563      1.00000
      7      -0.5449      1.00000
      8      -0.3578      1.00000
      9      -0.3578      1.00000
     10       0.4272      1.00000
     11       5.2682     -0.02439
     12       5.8680      0.00000
     13       6.3930      0.00000
     14       6.3930      0.00000
     15       8.4757      0.00000
     16       8.5063      0.00000
     17       8.5064      0.00000
     18       8.7694      0.00000

 k-point  39 :       0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8426      1.00000
      2     -10.7498      1.00000
      3     -10.6182      1.00000
      4     -10.6173      1.00000
      5      -0.6075      1.00000
      6      -0.5547      1.00000
      7      -0.5197      1.00000
      8      -0.3261      1.00000
      9      -0.3249      1.00000
     10       0.7274      1.00000
     11       4.8688      0.82664
     12       5.6439     -0.00001
     13       6.3369      0.00000
     14       6.5076      0.00000
     15       8.3398      0.00000
     16       8.5429      0.00000
     17       8.8718      0.00000
     18       9.0164      0.00000

 k-point  40 :       0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8404      1.00000
      2     -10.8018      1.00000
      3     -10.6379      1.00000
      4     -10.6321      1.00000
      5      -0.5600      1.00000
      6      -0.5452      1.00000
      7      -0.4617      1.00000
      8      -0.2981      1.00000
      9      -0.2937      1.00000
     10       1.0779      1.00000
     11       4.4846      1.00223
     12       5.4023     -0.00339
     13       6.1769      0.00000
     14       6.7385      0.00000
     15       8.3452      0.00000
     16       8.4958      0.00000
     17       9.1528      0.00000
     18       9.2584      0.00000

 k-point  41 :       0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8381      1.00000
      2     -10.8515      1.00000
      3     -10.6607      1.00000
      4     -10.6456      1.00000
      5      -0.5172      1.00000
      6      -0.4944      1.00000
      7      -0.4029      1.00000
      8      -0.2773      1.00000
      9      -0.2676      1.00000
     10       1.4592      1.00000
     11       4.1231      1.00000
     12       5.2280     -0.03280
     13       5.9452      0.00000
     14       7.0026      0.00000
     15       8.4813      0.00000
     16       8.4850      0.00000
     17       9.2198      0.00000
     18       9.4534      0.00000

 k-point  42 :       0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8362      1.00000
      2     -10.8915      1.00000
      3     -10.6832      1.00000
      4     -10.6557      1.00000
      5      -0.4746      1.00000
      6      -0.4187      1.00000
      7      -0.3627      1.00000
      8      -0.2670      1.00000
      9      -0.2522      1.00000
     10       1.8544      1.00000
     11       3.7785      1.00000
     12       5.1340     -0.01141
     13       5.6981      0.00000
     14       7.2521      0.00000
     15       8.5810      0.00000
     16       8.6718      0.00000
     17       9.0264      0.00000
     18       9.1567      0.00000

 k-point  43 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8349      1.00000
      2     -10.9166      1.00000
      3     -10.7018      1.00000
      4     -10.6608      1.00000
      5      -0.4235      1.00000
      6      -0.3528      1.00000
      7      -0.3446      1.00000
      8      -0.2720      1.00000
      9      -0.2486      1.00000
     10       2.2506      1.00000
     11       3.4361      1.00000
     12       5.0930      0.04177
     13       5.4815     -0.00061
     14       7.4686      0.00000
     15       8.5751      0.00000
     16       8.6779      0.00000
     17       8.9762      0.00000
     18       9.0267      0.00000

 k-point  44 :      -0.4375    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8345      1.00000
      2     -10.9242      1.00000
      3     -10.7128      1.00000
      4     -10.6603      1.00000
      5      -0.3808      1.00000
      6      -0.3668      1.00000
      7      -0.2906      1.00000
      8      -0.2837      1.00000
      9      -0.2578      1.00000
     10       2.6157      1.00000
     11       3.1008      1.00000
     12       5.0604      0.11278
     13       5.3265     -0.01214
     14       7.7122      0.00000
     15       8.2106      0.00000
     16       8.5005      0.00000
     17       9.2536      0.00000
     18       9.2757      0.00000

 k-point  45 :      -0.3750    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8350      1.00000
      2     -10.9140      1.00000
      3     -10.7139      1.00000
      4     -10.6543      1.00000
      5      -0.4218      1.00000
      6      -0.3371      1.00000
      7      -0.3125      1.00000
      8      -0.2808      1.00000
      9      -0.2433      1.00000
     10       2.5309      1.00000
     11       3.1784      1.00000
     12       5.0262      0.21524
     13       5.2525     -0.02798
     14       7.8388      0.00000
     15       8.0586      0.00000
     16       8.4171      0.00000
     17       9.3263      0.00000
     18       9.4991      0.00000

 k-point  46 :      -0.3125    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8363      1.00000
      2     -10.8884      1.00000
      3     -10.7039      1.00000
      4     -10.6435      1.00000
      5      -0.4765      1.00000
      6      -0.3630      1.00000
      7      -0.3100      1.00000
      8      -0.2975      1.00000
      9      -0.2387      1.00000
     10       2.0730      1.00000
     11       3.6074      1.00000
     12       5.0221      0.22940
     13       5.2698     -0.02401
     14       7.5065      0.00000
     15       8.4231      0.00000
     16       8.5081      0.00000
     17       9.0247      0.00000
     18       9.4286      0.00000

 k-point  47 :      -0.2500    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8382      1.00000
      2     -10.8516      1.00000
      3     -10.6834      1.00000
      4     -10.6297      1.00000
      5      -0.5278      1.00000
      6      -0.3981      1.00000
      7      -0.3441      1.00000
      8      -0.2918      1.00000
      9      -0.2666      1.00000
     10       1.5727      1.00000
     11       4.0919      1.00000
     12       5.0762      0.07508
     13       5.3784     -0.00527
     14       7.2387      0.00000
     15       8.4808      0.00000
     16       8.6465      0.00000
     17       8.9670      0.00000
     18       9.2431      0.00000

 k-point  48 :      -0.1875    0.1875    0.0000
  band No.  band energies     occupation
      1     -30.8405      1.00000
      2     -10.8089      1.00000
      3     -10.6554      1.00000
      4     -10.6148      1.00000
      5      -0.5631      1.00000
      6      -0.4255      1.00000
      7      -0.3750      1.00000
      8      -0.3220      1.00000
      9      -0.3049      1.00000
     10       1.0903      1.00000
     11       4.5943      1.01451
     12       5.2053     -0.03531
     13       5.5652     -0.00007
     14       7.0546      0.00000
     15       8.2855      0.00000
     16       8.4432      0.00000
     17       9.0322      0.00000
     18       9.3571      0.00000

 k-point  49 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8411      1.00000
      2     -10.7775      1.00000
      3     -10.6300      1.00000
      4     -10.6300      1.00000
      5      -0.6070      1.00000
      6      -0.5842      1.00000
      7      -0.5181      1.00000
      8      -0.2947      1.00000
      9      -0.2947      1.00000
     10       0.9557      1.00000
     11       4.6239      1.02076
     12       5.5999     -0.00002
     13       6.4366      0.00000
     14       6.4366      0.00000
     15       8.5695      0.00000
     16       8.7962      0.00000
     17       8.7964      0.00000
     18       9.1206      0.00000

 k-point  50 :       0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8393      1.00000
      2     -10.8138      1.00000
      3     -10.6467      1.00000
      4     -10.6437      1.00000
      5      -0.5946      1.00000
      6      -0.5848      1.00000
      7      -0.4914      1.00000
      8      -0.2692      1.00000
      9      -0.2679      1.00000
     10       1.2055      1.00000
     11       4.4177      1.00050
     12       5.4305     -0.00192
     13       6.4283      0.00000
     14       6.5854      0.00000
     15       8.5659      0.00000
     16       8.8367      0.00000
     17       9.0125      0.00000
     18       9.3503      0.00000

 k-point  51 :       0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8373      1.00000
      2     -10.8489      1.00000
      3     -10.6699      1.00000
      4     -10.6563      1.00000
      5      -0.5813      1.00000
      6      -0.5383      1.00000
      7      -0.4530      1.00000
      8      -0.2501      1.00000
      9      -0.2455      1.00000
     10       1.4612      1.00000
     11       4.2509      1.00000
     12       5.2553     -0.02735
     13       6.3005      0.00000
     14       6.8405      0.00000
     15       8.6512      0.00000
     16       8.8145      0.00000
     17       9.1385      0.00000
     18       9.4604      0.00000

 k-point  52 :       0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8355      1.00000
      2     -10.8756      1.00000
      3     -10.6981      1.00000
      4     -10.6659      1.00000
      5      -0.5475      1.00000
      6      -0.4759      1.00000
      7      -0.4209      1.00000
      8      -0.2420      1.00000
      9      -0.2318      1.00000
     10       1.7211      1.00000
     11       4.0868      1.00000
     12       5.1522     -0.02422
     13       6.0944      0.00000
     14       7.0889      0.00000
     15       8.8221      0.00000
     16       8.8439      0.00000
     17       8.9833      0.00000
     18       9.1902      0.00000

 k-point  53 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8343      1.00000
      2     -10.8903      1.00000
      3     -10.7268      1.00000
      4     -10.6710      1.00000
      5      -0.4973      1.00000
      6      -0.4104      1.00000
      7      -0.4049      1.00000
      8      -0.2489      1.00000
      9      -0.2301      1.00000
     10       1.9921      1.00000
     11       3.8893      1.00000
     12       5.1129      0.01129
     13       5.8649      0.00000
     14       7.2353      0.00000
     15       8.6282      0.00000
     16       8.8927      0.00000
     17       9.0694      0.00000
     18       9.0826      0.00000

 k-point  54 :      -0.4375    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8337      1.00000
      2     -10.8927      1.00000
      3     -10.7496      1.00000
      4     -10.6709      1.00000
      5      -0.4429      1.00000
      6      -0.4179      1.00000
      7      -0.3345      1.00000
      8      -0.2681      1.00000
      9      -0.2393      1.00000
     10       2.2716      1.00000
     11       3.6466      1.00000
     12       5.0641      0.10324
     13       5.6534      0.00000
     14       7.3378      0.00000
     15       8.2557      0.00000
     16       8.7971      0.00000
     17       9.2894      0.00000
     18       9.3762      0.00000

 k-point  55 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8339      1.00000
      2     -10.8865      1.00000
      3     -10.7592      1.00000
      4     -10.6656      1.00000
      5      -0.4562      1.00000
      6      -0.3762      1.00000
      7      -0.2982      1.00000
      8      -0.2776      1.00000
      9      -0.2581      1.00000
     10       2.4992      1.00000
     11       3.4013      1.00000
     12       4.9815      0.38447
     13       5.4858     -0.00055
     14       7.5717      0.00000
     15       7.8989      0.00000
     16       8.7898      0.00000
     17       9.4631      0.00000
     18       9.4828      0.00000

 k-point  56 :      -0.3125    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8348      1.00000
      2     -10.8775      1.00000
      3     -10.7492      1.00000
      4     -10.6560      1.00000
      5      -0.4894      1.00000
      6      -0.3370      1.00000
      7      -0.3261      1.00000
      8      -0.2861      1.00000
      9      -0.2428      1.00000
     10       2.4301      1.00000
     11       3.4001      1.00000
     12       4.9278      0.60941
     13       5.3792     -0.00520
     14       7.5966      0.00000
     15       7.9720      0.00000
     16       8.8314      0.00000
     17       9.2789      0.00000
     18       9.5097      0.00000

 k-point  57 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation
      1     -30.8364      1.00000
      2     -10.8670      1.00000
      3     -10.7209      1.00000
      4     -10.6434      1.00000
      5      -0.5171      1.00000
      6      -0.3706      1.00000
      7      -0.3161      1.00000
      8      -0.2994      1.00000
      9      -0.2394      1.00000
     10       2.0375      1.00000
     11       3.7038      1.00000
     12       4.9539      0.50024
     13       5.3430     -0.00950
     14       7.3719      0.00000
     15       8.4594      0.00000
     16       8.7985      0.00000
     17       9.0298      0.00000
     18       9.2252      0.00000

 k-point  58 :       0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8378      1.00000
      2     -10.8374      1.00000
      3     -10.6562      1.00000
      4     -10.6562      1.00000
      5      -0.6249      1.00000
      6      -0.5852      1.00000
      7      -0.4977      1.00000
      8      -0.2441      1.00000
      9      -0.2441      1.00000
     10       1.3284      1.00000
     11       4.4078      1.00039
     12       5.3879     -0.00444
     13       6.6001      0.00000
     14       6.6001      0.00000
     15       8.6801      0.00000
     16       9.0259      0.00000
     17       9.0263      0.00000
     18       9.3903      0.00000

 k-point  59 :       0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8362      1.00000
      2     -10.8615      1.00000
      3     -10.6728      1.00000
      4     -10.6677      1.00000
      5      -0.6311      1.00000
      6      -0.5632      1.00000
      7      -0.4869      1.00000
      8      -0.2257      1.00000
      9      -0.2247      1.00000
     10       1.4441      1.00000
     11       4.4489      1.00103
     12       5.2691     -0.02419
     13       6.6316      0.00000
     14       6.7794      0.00000
     15       8.7555      0.00000
     16       9.0640      0.00000
     17       9.1171      0.00000
     18       9.3884      0.00000

 k-point  60 :       0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8347      1.00000
      2     -10.8777      1.00000
      3     -10.6990      1.00000
      4     -10.6764      1.00000
      5      -0.6121      1.00000
      6      -0.5204      1.00000
      7      -0.4705      1.00000
      8      -0.2182      1.00000
      9      -0.2132      1.00000
     10       1.5736      1.00000
     11       4.4780      1.00195
     12       5.1595     -0.02777
     13       6.5158      0.00000
     14       6.9963      0.00000
     15       8.8965      0.00000
     16       9.0221      0.00000
     17       9.0679      0.00000
     18       9.2569      0.00000

 k-point  61 :       0.5000    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8336      1.00000
      2     -10.8812      1.00000
      3     -10.7331      1.00000
      4     -10.6811      1.00000
      5      -0.5707      1.00000
      6      -0.4618      1.00000
      7      -0.4617      1.00000
      8      -0.2230      1.00000
      9      -0.2110      1.00000
     10       1.7417      1.00000
     11       4.4107      1.00042
     12       5.1192      0.00348
     13       6.3034      0.00000
     14       7.0742      0.00000
     15       8.6915      0.00000
     16       9.1102      0.00000
     17       9.1265      0.00000
     18       9.1829      0.00000

 k-point  62 :      -0.4375    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8330      1.00000
      2     -10.8706      1.00000
      3     -10.7707      1.00000
      4     -10.6810      1.00000
      5      -0.5135      1.00000
      6      -0.4623      1.00000
      7      -0.3951      1.00000
      8      -0.2402      1.00000
      9      -0.2193      1.00000
     10       1.9594      1.00000
     11       4.2271      1.00000
     12       5.0769      0.07337
     13       6.0491      0.00000
     14       7.0469      0.00000
     15       8.3442      0.00000
     16       9.0813      0.00000
     17       9.3238      0.00000
     18       9.4107      0.00000

 k-point  63 :      -0.3750    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8331      1.00000
      2     -10.8520      1.00000
      3     -10.8012      1.00000
      4     -10.6763      1.00000
      5      -0.4811      1.00000
      6      -0.4394      1.00000
      7      -0.3292      1.00000
      8      -0.2685      1.00000
      9      -0.2372      1.00000
     10       2.2143      1.00000
     11       3.9264      1.00000
     12       4.9783      0.39760
     13       5.7918      0.00000
     14       7.1690      0.00000
     15       8.0248      0.00000
     16       9.1065      0.00000
     17       9.3985      0.00000
     18       9.4917      0.00000

 k-point  64 :      -0.3125    0.3125    0.0000
  band No.  band energies     occupation
      1     -30.8337      1.00000
      2     -10.8578      1.00000
      3     -10.7904      1.00000
      4     -10.6675      1.00000
      5      -0.4885      1.00000
      6      -0.3786      1.00000
      7      -0.3013      1.00000
      8      -0.2744      1.00000
      9      -0.2601      1.00000
     10       2.4453      1.00000
     11       3.5577      1.00000
     12       4.9113      0.67611
     13       5.5601     -0.00008
     14       7.5028      0.00000
     15       7.7706      0.00000
     16       9.1053      0.00000
     17       9.2426      0.00000
     18       9.5868      0.00000

 k-point  65 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8350      1.00000
      2     -10.8790      1.00000
      3     -10.6780      1.00000
      4     -10.6780      1.00000
      5      -0.6591      1.00000
      6      -0.5667      1.00000
      7      -0.5018      1.00000
      8      -0.2073      1.00000
      9      -0.2073      1.00000
     10       1.4313      1.00000
     11       4.6687      1.03079
     12       5.2374     -0.03113
     13       6.8568      0.00000
     14       6.8568      0.00000
     15       8.8024      0.00000
     16       9.1852      0.00000
     17       9.1873      0.00000
     18       9.3985      0.00000

 k-point  66 :       0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8339      1.00000
      2     -10.8909      1.00000
      3     -10.6929      1.00000
      4     -10.6857      1.00000
      5      -0.6593      1.00000
      6      -0.5467      1.00000
      7      -0.5048      1.00000
      8      -0.1984      1.00000
      9      -0.1970      1.00000
     10       1.4556      1.00000
     11       4.8503      0.87980
     12       5.1622     -0.02892
     13       6.8956      0.00000
     14       7.0118      0.00000
     15       8.8824      0.00000
     16       9.1676      0.00000
     17       9.2096      0.00000
     18       9.3460      0.00000

 k-point  67 :       0.5000    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8331      1.00000
      2     -10.8911      1.00000
      3     -10.7198      1.00000
      4     -10.6897      1.00000
      5      -0.6322      1.00000
      6      -0.5078      1.00000
      7      -0.5009      1.00000
      8      -0.2012      1.00000
      9      -0.1951      1.00000
     10       1.5422      1.00000
     11       4.8827      0.78122
     12       5.1364     -0.01344
     13       6.7462      0.00000
     14       7.0364      0.00000
     15       8.7685      0.00000
     16       9.1987      0.00000
     17       9.2639      0.00000
     18       9.2935      0.00000

 k-point  68 :      -0.4375    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8326      1.00000
      2     -10.8773      1.00000
      3     -10.7567      1.00000
      4     -10.6892      1.00000
      5      -0.5832      1.00000
      6      -0.4949      1.00000
      7      -0.4544      1.00000
      8      -0.2151      1.00000
      9      -0.2018      1.00000
     10       1.7025      1.00000
     11       4.7318      1.03312
     12       5.1292     -0.00712
     13       6.4711      0.00000
     14       6.9064      0.00000
     15       8.4815      0.00000
     16       9.2943      0.00000
     17       9.3561      0.00000
     18       9.4171      0.00000

 k-point  69 :      -0.3750    0.3750    0.0000
  band No.  band energies     occupation
      1     -30.8326      1.00000
      2     -10.8520      1.00000
      3     -10.7970      1.00000
      4     -10.6846      1.00000
      5      -0.5208      1.00000
      6      -0.4841      1.00000
      7      -0.3923      1.00000
      8      -0.2393      1.00000
      9      -0.2168      1.00000
     10       1.9325      1.00000
     11       4.4194      1.00052
     12       5.0387      0.17471
     13       6.1350      0.00000
     14       6.9201      0.00000
     15       8.2209      0.00000
     16       9.3205      0.00000
     17       9.3338      0.00000
     18       9.4592      0.00000

 k-point  70 :       0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.8332      1.00000
      2     -10.9023      1.00000
      3     -10.6924      1.00000
      4     -10.6924      1.00000
      5      -0.6816      1.00000
      6      -0.5535      1.00000
      7      -0.5230      1.00000
      8      -0.1868      1.00000
      9      -0.1868      1.00000
     10       1.3969      1.00000
     11       5.1150      0.00865
     12       5.1478     -0.02162
     13       7.1249      0.00000
     14       7.1249      0.00000
     15       8.9131      0.00000
     16       9.2698      0.00000
     17       9.2703      0.00000
     18       9.4094      0.00000

 k-point  71 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.8327      1.00000
      2     -10.9043      1.00000
      3     -10.7039      1.00000
      4     -10.6954      1.00000
      5      -0.6743      1.00000
      6      -0.5377      1.00000
      7      -0.5258      1.00000
      8      -0.1855      1.00000
      9      -0.1844      1.00000
     10       1.4152      1.00000
     11       5.0987      0.03204
     12       5.2476     -0.02903
     13       7.1051      0.00000
     14       7.1489      0.00000
     15       8.8729      0.00000
     16       9.2738      0.00000
     17       9.2987      0.00000
     18       9.4481      0.00000

 k-point  72 :      -0.4375    0.4375    0.0000
  band No.  band energies     occupation
      1     -30.8325      1.00000
      2     -10.8946      1.00000
      3     -10.7276      1.00000
      4     -10.6943      1.00000
      5      -0.6395      1.00000
      6      -0.5159      1.00000
      7      -0.5035      1.00000
      8      -0.1958      1.00000
      9      -0.1901      1.00000
     10       1.5177      1.00000
     11       4.9981      0.31798
     12       5.2349     -0.03159
     13       6.8544      0.00000
     14       6.9840      0.00000
     15       8.6718      0.00000
     16       9.3779      0.00000
     17       9.4021      0.00000
     18       9.4399      0.00000

 k-point  73 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation
      1     -30.8326      1.00000
      2     -10.9097      1.00000
      3     -10.6974      1.00000
      4     -10.6974      1.00000
      5      -0.6893      1.00000
      6      -0.5488      1.00000
      7      -0.5349      1.00000
      8      -0.1799      1.00000
      9      -0.1799      1.00000
     10       1.3717      1.00000
     11       5.1184      0.00447
     12       5.3340     -0.01088
     13       7.2503      0.00000
     14       7.2503      0.00000
     15       8.9619      0.00000
     16       9.2583      0.00000
     17       9.2764      0.00000
     18       9.4178      0.00000

 k-point  74 :       0.1875    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8469      1.00000
      2     -10.6544      1.00000
      3     -10.5861      1.00000
      4     -10.5798      1.00000
      5      -0.6339      1.00000
      6      -0.5625      1.00000
      7      -0.4945      1.00000
      8      -0.4253      1.00000
      9      -0.4066      1.00000
     10       0.0092      1.00000
     11       5.9502      0.00000
     12       5.9684      0.00000
     13       6.4861      0.00000
     14       6.6599      0.00000
     15       7.7608      0.00000
     16       8.0801      0.00000
     17       8.5730      0.00000
     18       8.7326      0.00000

 k-point  75 :       0.2500    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8448      1.00000
      2     -10.7138      1.00000
      3     -10.6038      1.00000
      4     -10.5923      1.00000
      5      -0.6002      1.00000
      6      -0.4907      1.00000
      7      -0.4850      1.00000
      8      -0.3979      1.00000
      9      -0.3684      1.00000
     10       0.3422      1.00000
     11       5.3878     -0.00445
     12       5.7196      0.00000
     13       6.1800      0.00000
     14       6.8091      0.00000
     15       7.8055      0.00000
     16       8.0846      0.00000
     17       8.8616      0.00000
     18       9.0037      0.00000

 k-point  76 :       0.3125    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8422      1.00000
      2     -10.7829      1.00000
      3     -10.6229      1.00000
      4     -10.6079      1.00000
      5      -0.5433      1.00000
      6      -0.4629      1.00000
      7      -0.4091      1.00000
      8      -0.3662      1.00000
      9      -0.3324      1.00000
     10       0.7628      1.00000
     11       4.8224      0.94420
     12       5.4816     -0.00061
     13       5.8455      0.00000
     14       7.0194      0.00000
     15       7.9577      0.00000
     16       8.0114      0.00000
     17       9.1359      0.00000
     18       9.2835      0.00000

 k-point  77 :       0.3750    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8396      1.00000
      2     -10.8505      1.00000
      3     -10.6410      1.00000
      4     -10.6240      1.00000
      5      -0.4704      1.00000
      6      -0.4296      1.00000
      7      -0.3346      1.00000
      8      -0.3319      1.00000
      9      -0.3032      1.00000
     10       1.2447      1.00000
     11       4.2865      1.00001
     12       5.2731     -0.02327
     13       5.5430     -0.00013
     14       7.2682      0.00000
     15       7.9658      0.00000
     16       8.2090      0.00000
     17       9.3272      0.00000
     18       9.4123      0.00000

 k-point  78 :       0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8374      1.00000
      2     -10.9065      1.00000
      3     -10.6557      1.00000
      4     -10.6379      1.00000
      5      -0.3959      1.00000
      6      -0.3887      1.00000
      7      -0.3051      1.00000
      8      -0.2869      1.00000
      9      -0.2775      1.00000
     10       1.7560      1.00000
     11       3.7836      1.00000
     12       5.1202      0.00241
     13       5.3011     -0.01701
     14       7.5288      0.00000
     15       8.0479      0.00000
     16       8.4923      0.00000
     17       9.0496      0.00000
     18       9.4632      0.00000

 k-point  79 :       0.5000    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8360      1.00000
      2     -10.9433      1.00000
      3     -10.6654      1.00000
      4     -10.6473      1.00000
      5      -0.3539      1.00000
      6      -0.3275      1.00000
      7      -0.2937      1.00000
      8      -0.2761      1.00000
      9      -0.2525      1.00000
     10       2.2599      1.00000
     11       3.3104      1.00000
     12       5.0389      0.17407
     13       5.1366     -0.01361
     14       7.7844      0.00000
     15       8.2433      0.00000
     16       8.6382      0.00000
     17       8.8161      0.00000
     18       9.2115      0.00000

 k-point  80 :      -0.4375    0.1250    0.0625
  band No.  band energies     occupation
      1     -30.8354      1.00000
      2     -10.9561      1.00000
      3     -10.6687      1.00000
      4     -10.6506      1.00000
      5      -0.3351      1.00000
      6      -0.2973      1.00000
      7      -0.2951      1.00000
      8      -0.2717      1.00000
      9      -0.2502      1.00000
     10       2.6168      1.00000
     11       2.9689      1.00000
     12       5.0238      0.22358
     13       5.0687      0.09205
     14       7.9839      0.00000
     15       8.2331      0.00000
     16       8.6490      0.00000
     17       8.7658      0.00000
     18       9.1758      0.00000

 k-point  81 :       0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8441      1.00000
      2     -10.7222      1.00000
      3     -10.6098      1.00000
      4     -10.6022      1.00000
      5      -0.6129      1.00000
      6      -0.5262      1.00000
      7      -0.5178      1.00000
      8      -0.3626      1.00000
      9      -0.3505      1.00000
     10       0.4904      1.00000
     11       5.1905     -0.03517
     12       5.6876      0.00000
     13       6.2969      0.00000
     14       6.5862      0.00000
     15       8.0921      0.00000
     16       8.4080      0.00000
     17       8.8242      0.00000
     18       8.9130      0.00000

 k-point  82 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8418      1.00000
      2     -10.7767      1.00000
      3     -10.6304      1.00000
      4     -10.6163      1.00000
      5      -0.5771      1.00000
      6      -0.5179      1.00000
      7      -0.4493      1.00000
      8      -0.3336      1.00000
      9      -0.3158      1.00000
     10       0.8554      1.00000
     11       4.7344      1.03253
     12       5.4446     -0.00142
     13       6.0903      0.00000
     14       6.7667      0.00000
     15       8.1723      0.00000
     16       8.4107      0.00000
     17       9.0434      0.00000
     18       9.1776      0.00000

 k-point  83 :       0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8394      1.00000
      2     -10.8328      1.00000
      3     -10.6516      1.00000
      4     -10.6319      1.00000
      5      -0.5211      1.00000
      6      -0.4921      1.00000
      7      -0.3785      1.00000
      8      -0.3047      1.00000
      9      -0.2883      1.00000
     10       1.2733      1.00000
     11       4.2887      1.00001
     12       5.2544     -0.02755
     13       5.8320      0.00000
     14       7.0091      0.00000
     15       8.3465      0.00000
     16       8.3679      0.00000
     17       9.2326      0.00000
     18       9.3957      0.00000

 k-point  84 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8372      1.00000
      2     -10.8818      1.00000
      3     -10.6713      1.00000
      4     -10.6458      1.00000
      5      -0.4577      1.00000
      6      -0.4485      1.00000
      7      -0.3245      1.00000
      8      -0.2845      1.00000
      9      -0.2704      1.00000
     10       1.7204      1.00000
     11       3.8642      1.00000
     12       5.1353     -0.01257
     13       5.5838     -0.00004
     14       7.2719      0.00000
     15       8.3617      0.00000
     16       8.6134      0.00000
     17       9.0204      0.00000
     18       9.4085      0.00000

 k-point  85 :       0.5000    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8356      1.00000
      2     -10.9169      1.00000
      3     -10.6869      1.00000
      4     -10.6553      1.00000
      5      -0.4086      1.00000
      6      -0.3844      1.00000
      7      -0.2968      1.00000
      8      -0.2828      1.00000
      9      -0.2573      1.00000
     10       2.1733      1.00000
     11       3.4556      1.00000
     12       5.0817      0.06340
     13       5.3838     -0.00479
     14       7.5252      0.00000
     15       8.4525      0.00000
     16       8.6625      0.00000
     17       8.8797      0.00000
     18       9.2014      0.00000

 k-point  86 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8348      1.00000
      2     -10.9335      1.00000
      3     -10.6963      1.00000
      4     -10.6589      1.00000
      5      -0.3633      1.00000
      6      -0.3493      1.00000
      7      -0.3013      1.00000
      8      -0.2808      1.00000
      9      -0.2531      1.00000
     10       2.6107      1.00000
     11       3.0510      1.00000
     12       5.0644      0.10258
     13       5.2566     -0.02706
     14       7.7850      0.00000
     15       8.2061      0.00000
     16       8.7023      0.00000
     17       8.8463      0.00000
     18       9.3081      0.00000

 k-point  87 :      -0.3750    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8350      1.00000
      2     -10.9295      1.00000
      3     -10.6977      1.00000
      4     -10.6561      1.00000
      5      -0.3774      1.00000
      6      -0.3452      1.00000
      7      -0.3123      1.00000
      8      -0.2665      1.00000
      9      -0.2540      1.00000
     10       2.5794      1.00000
     11       3.0831      1.00000
     12       5.0556      0.12543
     13       5.2191     -0.03409
     14       7.8856      0.00000
     15       8.1218      0.00000
     16       8.4565      0.00000
     17       9.1061      0.00000
     18       9.3683      0.00000

 k-point  88 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8361      1.00000
      2     -10.9060      1.00000
      3     -10.6905      1.00000
      4     -10.6475      1.00000
      5      -0.4335      1.00000
      6      -0.3808      1.00000
      7      -0.2960      1.00000
      8      -0.2824      1.00000
      9      -0.2534      1.00000
     10       2.1129      1.00000
     11       3.5240      1.00000
     12       5.0634      0.10506
     13       5.2782     -0.02209
     14       7.5845      0.00000
     15       8.3117      0.00000
     16       8.5476      0.00000
     17       8.9652      0.00000
     18       9.4535      0.00000

 k-point  89 :      -0.2500    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8379      1.00000
      2     -10.8662      1.00000
      3     -10.6752      1.00000
      4     -10.6346      1.00000
      5      -0.4964      1.00000
      6      -0.4212      1.00000
      7      -0.3140      1.00000
      8      -0.2895      1.00000
      9      -0.2805      1.00000
     10       1.6207      1.00000
     11       3.9926      1.00000
     12       5.1186      0.00418
     13       5.4270     -0.00207
     14       7.2912      0.00000
     15       8.3189      0.00000
     16       8.6232      0.00000
     17       8.9889      0.00000
     18       9.4412      0.00000

 k-point  90 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8402      1.00000
      2     -10.8160      1.00000
      3     -10.6534      1.00000
      4     -10.6194      1.00000
      5      -0.5516      1.00000
      6      -0.4552      1.00000
      7      -0.3452      1.00000
      8      -0.3402      1.00000
      9      -0.3009      1.00000
     10       1.1398      1.00000
     11       4.4860      1.00230
     12       5.2358     -0.03143
     13       5.6528      0.00000
     14       7.0423      0.00000
     15       8.2958      0.00000
     16       8.3897      0.00000
     17       9.1129      0.00000
     18       9.3840      0.00000

 k-point  91 :      -0.1250    0.1875    0.0625
  band No.  band energies     occupation
      1     -30.8426      1.00000
      2     -10.7627      1.00000
      3     -10.6282      1.00000
      4     -10.6045      1.00000
      5      -0.5887      1.00000
      6      -0.4777      1.00000
      7      -0.4143      1.00000
      8      -0.3747      1.00000
      9      -0.3299      1.00000
     10       0.7038      1.00000
     11       4.9816      0.38414
     12       5.4198     -0.00240
     13       5.9288      0.00000
     14       6.8665      0.00000
     15       8.0248      0.00000
     16       8.3447      0.00000
     17       8.9619      0.00000
     18       9.1332      0.00000

 k-point  92 :       0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8407      1.00000
      2     -10.7887      1.00000
      3     -10.6371      1.00000
      4     -10.6294      1.00000
      5      -0.5888      1.00000
      6      -0.5643      1.00000
      7      -0.4840      1.00000
      8      -0.2983      1.00000
      9      -0.2935      1.00000
     10       1.0176      1.00000
     11       4.5613      1.00899
     12       5.4704     -0.00079
     13       6.3042      0.00000
     14       6.5956      0.00000
     15       8.4019      0.00000
     16       8.7295      0.00000
     17       8.9302      0.00000
     18       9.2109      0.00000

 k-point  93 :       0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8386      1.00000
      2     -10.8297      1.00000
      3     -10.6596      1.00000
      4     -10.6438      1.00000
      5      -0.5548      1.00000
      6      -0.5521      1.00000
      7      -0.4307      1.00000
      8      -0.2737      1.00000
      9      -0.2686      1.00000
     10       1.3365      1.00000
     11       4.2856      1.00001
     12       5.2772     -0.02232
     13       6.1521      0.00000
     14       6.8170      0.00000
     15       8.5280      0.00000
     16       8.7231      0.00000
     17       9.0996      0.00000
     18       9.3908      0.00000

 k-point  94 :       0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8367      1.00000
      2     -10.8655      1.00000
      3     -10.6844      1.00000
      4     -10.6571      1.00000
      5      -0.5238      1.00000
      6      -0.5008      1.00000
      7      -0.3823      1.00000
      8      -0.2602      1.00000
      9      -0.2500      1.00000
     10       1.6674      1.00000
     11       4.0291      1.00000
     12       5.1477     -0.02158
     13       5.9375      0.00000
     14       7.0842      0.00000
     15       8.6897      0.00000
     16       8.7435      0.00000
     17       9.0000      0.00000
     18       9.3245      0.00000

 k-point  95 :       0.5000    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8351      1.00000
      2     -10.8910      1.00000
      3     -10.7086      1.00000
      4     -10.6662      1.00000
      5      -0.4785      1.00000
      6      -0.4420      1.00000
      7      -0.3513      1.00000
      8      -0.2639      1.00000
      9      -0.2370      1.00000
     10       1.9984      1.00000
     11       3.7725      1.00000
     12       5.0971      0.03473
     13       5.7182      0.00000
     14       7.3181      0.00000
     15       8.6566      0.00000
     16       8.7522      0.00000
     17       8.9656      0.00000
     18       9.2016      0.00000

 k-point  96 :      -0.4375    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8342      1.00000
      2     -10.9036      1.00000
      3     -10.7278      1.00000
      4     -10.6698      1.00000
      5      -0.4273      1.00000
      6      -0.4041      1.00000
      7      -0.3261      1.00000
      8      -0.2843      1.00000
      9      -0.2351      1.00000
     10       2.3135      1.00000
     11       3.5080      1.00000
     12       5.0773      0.07268
     13       5.5357     -0.00015
     14       7.4785      0.00000
     15       8.3431      0.00000
     16       8.8126      0.00000
     17       8.9633      0.00000
     18       9.3751      0.00000

 k-point  97 :      -0.3750    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8341      1.00000
      2     -10.9033      1.00000
      3     -10.7372      1.00000
      4     -10.6674      1.00000
      5      -0.4258      1.00000
      6      -0.3678      1.00000
      7      -0.3166      1.00000
      8      -0.2853      1.00000
      9      -0.2441      1.00000
     10       2.5386      1.00000
     11       3.2926      1.00000
     12       5.0330      0.19282
     13       5.4169     -0.00254
     14       7.6605      0.00000
     15       8.0386      0.00000
     16       8.6779      0.00000
     17       9.2280      0.00000
     18       9.5706      0.00000

 k-point  98 :      -0.3125    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8348      1.00000
      2     -10.8919      1.00000
      3     -10.7334      1.00000
      4     -10.6596      1.00000
      5      -0.4644      1.00000
      6      -0.3600      1.00000
      7      -0.3213      1.00000
      8      -0.2649      1.00000
      9      -0.2545      1.00000
     10       2.4241      1.00000
     11       3.3710      1.00000
     12       4.9818      0.38336
     13       5.3704     -0.00607
     14       7.6556      0.00000
     15       8.0531      0.00000
     16       8.6644      0.00000
     17       9.3293      0.00000
     18       9.5705      0.00000

 k-point  99 :      -0.2500    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8362      1.00000
      2     -10.8723      1.00000
      3     -10.7156      1.00000
      4     -10.6476      1.00000
      5      -0.5070      1.00000
      6      -0.3993      1.00000
      7      -0.2954      1.00000
      8      -0.2892      1.00000
      9      -0.2537      1.00000
     10       2.0327      1.00000
     11       3.6998      1.00000
     12       4.9814      0.38501
     13       5.3969     -0.00376
     14       7.3827      0.00000
     15       8.4802      0.00000
     16       8.7109      0.00000
     17       9.0514      0.00000
     18       9.2902      0.00000

 k-point 100 :      -0.1875    0.2500    0.0625
  band No.  band energies     occupation
      1     -30.8381      1.00000
      2     -10.8465      1.00000
      3     -10.6868      1.00000
      4     -10.6334      1.00000
      5      -0.5389      1.00000
      6      -0.4332      1.00000
      7      -0.3192      1.00000
      8      -0.2906      1.00000
      9      -0.2815      1.00000
     10       1.5776      1.00000
     11       4.0948      1.00000
     12       5.0636      0.10449
     13       5.4943     -0.00045
     14       7.1681      0.00000
     15       8.6565      0.00000
     16       8.6691      0.00000
     17       8.9467      0.00000
     18       9.1702      0.00000

 k-point 101 :       0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8375      1.00000
      2     -10.8422      1.00000
      3     -10.6639      1.00000
      4     -10.6569      1.00000
      5      -0.6024      1.00000
      6      -0.5666      1.00000
      7      -0.4704      1.00000
      8      -0.2464      1.00000
      9      -0.2456      1.00000
     10       1.3956      1.00000
     11       4.3365      1.00006
     12       5.3001     -0.01723
     13       6.4419      0.00000
     14       6.7274      0.00000
     15       8.6690      0.00000
     16       8.9894      0.00000
     17       9.0254      0.00000
     18       9.3860      0.00000

 k-point 102 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8358      1.00000
      2     -10.8654      1.00000
      3     -10.6878      1.00000
      4     -10.6697      1.00000
      5      -0.5867      1.00000
      6      -0.5335      1.00000
      7      -0.4380      1.00000
      8      -0.2360      1.00000
      9      -0.2266      1.00000
     10       1.5858      1.00000
     11       4.2899      1.00001
     12       5.1633     -0.02932
     13       6.3121      0.00000
     14       6.9738      0.00000
     15       8.8383      0.00000
     16       8.9460      0.00000
     17       9.0335      0.00000
     18       9.2850      0.00000

 k-point 103 :       0.5000    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8344      1.00000
      2     -10.8783      1.00000
      3     -10.7181      1.00000
      4     -10.6783      1.00000
      5      -0.5498      1.00000
      6      -0.4906      1.00000
      7      -0.4099      1.00000
      8      -0.2401      1.00000
      9      -0.2157      1.00000
     10       1.7887      1.00000
     11       4.2104      1.00000
     12       5.0960      0.03660
     13       6.0940      0.00000
     14       7.1903      0.00000
     15       8.7154      0.00000
     16       8.9784      0.00000
     17       9.0700      0.00000
     18       9.2221      0.00000

 k-point 104 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8335      1.00000
      2     -10.8790      1.00000
      3     -10.7502      1.00000
      4     -10.6816      1.00000
      5      -0.4979      1.00000
      6      -0.4580      1.00000
      7      -0.3792      1.00000
      8      -0.2592      1.00000
      9      -0.2147      1.00000
     10       2.0146      1.00000
     11       4.0539      1.00000
     12       5.0772      0.07286
     13       5.8575      0.00000
     14       7.2677      0.00000
     15       8.4513      0.00000
     16       9.0014      0.00000
     17       9.0825      0.00000
     18       9.4132      0.00000

 k-point 105 :      -0.3750    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8332      1.00000
      2     -10.8708      1.00000
      3     -10.7753      1.00000
      4     -10.6793      1.00000
      5      -0.4672      1.00000
      6      -0.4291      1.00000
      7      -0.3311      1.00000
      8      -0.2903      1.00000
      9      -0.2236      1.00000
     10       2.2512      1.00000
     11       3.8230      1.00000
     12       5.0172      0.24665
     13       5.6674      0.00000
     14       7.3384      0.00000
     15       8.1290      0.00000
     16       8.9707      0.00000
     17       9.2905      0.00000
     18       9.5199      0.00000

 k-point 106 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8337      1.00000
      2     -10.8654      1.00000
      3     -10.7790      1.00000
      4     -10.6719      1.00000
      5      -0.4832      1.00000
      6      -0.3721      1.00000
      7      -0.3283      1.00000
      8      -0.2836      1.00000
      9      -0.2411      1.00000
     10       2.4308      1.00000
     11       3.5718      1.00000
     12       4.9333      0.58677
     13       5.5342     -0.00016
     14       7.5771      0.00000
     15       7.8158      0.00000
     16       8.9997      0.00000
     17       9.3245      0.00000
     18       9.5700      0.00000

 k-point 107 :      -0.2500    0.3125    0.0625
  band No.  band energies     occupation
      1     -30.8347      1.00000
      2     -10.8697      1.00000
      3     -10.7544      1.00000
      4     -10.6608      1.00000
      5      -0.5006      1.00000
      6      -0.3669      1.00000
      7      -0.3236      1.00000
      8      -0.2648      1.00000
      9      -0.2548      1.00000
     10       2.3698      1.00000
     11       3.5034      1.00000
     12       4.9127      0.67049
     13       5.4403     -0.00156
     14       7.5542      0.00000
     15       7.9939      0.00000
     16       8.9841      0.00000
     17       9.1846      0.00000
     18       9.5309      0.00000

 k-point 108 :       0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8349      1.00000
      2     -10.8777      1.00000
      3     -10.6862      1.00000
      4     -10.6808      1.00000
      5      -0.6346      1.00000
      6      -0.5479      1.00000
      7      -0.4806      1.00000
      8      -0.2148      1.00000
      9      -0.2080      1.00000
     10       1.5031      1.00000
     11       4.5876      1.01324
     12       5.1769     -0.03331
     13       6.6456      0.00000
     14       6.9629      0.00000
     15       8.8559      0.00000
     16       9.0697      0.00000
     17       9.1679      0.00000
     18       9.3058      0.00000

 k-point 109 :       0.5000    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8337      1.00000
      2     -10.8838      1.00000
      3     -10.7112      1.00000
      4     -10.6895      1.00000
      5      -0.6121      1.00000
      6      -0.5235      1.00000
      7      -0.4629      1.00000
      8      -0.2171      1.00000
      9      -0.1980      1.00000
     10       1.6011      1.00000
     11       4.6735      1.03168
     12       5.0956      0.03727
     13       6.4539      0.00000
     14       7.1721      0.00000
     15       8.7647      0.00000
     16       9.1378      0.00000
     17       9.1950      0.00000
     18       9.2947      0.00000

 k-point 110 :      -0.4375    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8329      1.00000
      2     -10.8766      1.00000
      3     -10.7468      1.00000
      4     -10.6922      1.00000
      5      -0.5674      1.00000
      6      -0.5002      1.00000
      7      -0.4322      1.00000
      8      -0.2329      1.00000
      9      -0.1969      1.00000
     10       1.7561      1.00000
     11       4.6048      1.01661
     12       5.0877      0.05151
     13       6.1551      0.00000
     14       7.2195      0.00000
     15       8.5531      0.00000
     16       9.1680      0.00000
     17       9.2249      0.00000
     18       9.4375      0.00000

 k-point 111 :      -0.3750    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8327      1.00000
      2     -10.8552      1.00000
      3     -10.7879      1.00000
      4     -10.6897      1.00000
      5      -0.5116      1.00000
      6      -0.4855      1.00000
      7      -0.3841      1.00000
      8      -0.2598      1.00000
      9      -0.2046      1.00000
     10       1.9674      1.00000
     11       4.3827      1.00020
     12       5.0396      0.17193
     13       5.8968      0.00000
     14       7.1831      0.00000
     15       8.2676      0.00000
     16       9.2210      0.00000
     17       9.3433      0.00000
     18       9.5060      0.00000

 k-point 112 :      -0.3125    0.3750    0.0625
  band No.  band energies     occupation
      1     -30.8329      1.00000
      2     -10.8303      1.00000
      3     -10.8203      1.00000
      4     -10.6826      1.00000
      5      -0.4921      1.00000
      6      -0.4339      1.00000
      7      -0.3304      1.00000
      8      -0.2931      1.00000
      9      -0.2204      1.00000
     10       2.2133      1.00000
     11       4.0034      1.00000
     12       4.9536      0.50132
     13       5.7153      0.00000
     14       7.2850      0.00000
     15       8.0021      0.00000
     16       9.2322      0.00000
     17       9.2913      0.00000
     18       9.5189      0.00000

 k-point 113 :       0.5000    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.8331      1.00000
      2     -10.8964      1.00000
      3     -10.7008      1.00000
      4     -10.6971      1.00000
      5      -0.6560      1.00000
      6      -0.5383      1.00000
      7      -0.5034      1.00000
      8      -0.1975      1.00000
      9      -0.1868      1.00000
     10       1.4702      1.00000
     11       5.0436      0.15965
     12       5.1025      0.02612
     13       6.7852      0.00000
     14       7.2216      0.00000
     15       8.8352      0.00000
     16       9.2308      0.00000
     17       9.2646      0.00000
     18       9.4208      0.00000

 k-point 114 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.8326      1.00000
      2     -10.8903      1.00000
      3     -10.7250      1.00000
      4     -10.7001      1.00000
      5      -0.6257      1.00000
      6      -0.5280      1.00000
      7      -0.4781      1.00000
      8      -0.2100      1.00000
      9      -0.1848      1.00000
     10       1.5614      1.00000
     11       4.9893      0.35283
     12       5.1584     -0.02727
     13       6.4366      0.00000
     14       7.3176      0.00000
     15       8.6842      0.00000
     16       9.2674      0.00000
     17       9.3594      0.00000
     18       9.4161      0.00000

 k-point 115 :      -0.3750    0.4375    0.0625
  band No.  band energies     occupation
      1     -30.8324      1.00000
      2     -10.8729      1.00000
      3     -10.7591      1.00000
      4     -10.6970      1.00000
      5      -0.5736      1.00000
      6      -0.5119      1.00000
      7      -0.4361      1.00000
      8      -0.2311      1.00000
      9      -0.1907      1.00000
     10       1.7306      1.00000
     11       4.7997      0.98230
     12       5.1213      0.00109
     13       6.1055      0.00000
     14       7.2300      0.00000
     15       8.4644      0.00000
     16       9.3665      0.00000
     17       9.3832      0.00000
     18       9.4317      0.00000

 k-point 116 :      -0.4375    0.5000    0.0625
  band No.  band energies     occupation
      1     -30.8325      1.00000
      2     -10.9021      1.00000
      3     -10.7059      1.00000
      4     -10.7029      1.00000
      5      -0.6638      1.00000
      6      -0.5392      1.00000
      7      -0.5121      1.00000
      8      -0.1929      1.00000
      9      -0.1810      1.00000
     10       1.4454      1.00000
     11       5.0774      0.07241
     12       5.2817     -0.02129
     13       6.8020      0.00000
     14       7.3456      0.00000
     15       8.8216      0.00000
     16       9.3671      0.00000
     17       9.4111      0.00000
     18       9.4503      0.00000

 k-point 117 :       0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8397      1.00000
      2     -10.8161      1.00000
      3     -10.6572      1.00000
      4     -10.6295      1.00000
      5      -0.5626      1.00000
      6      -0.5089      1.00000
      7      -0.3845      1.00000
      8      -0.3074      1.00000
      9      -0.2877      1.00000
     10       1.2189      1.00000
     11       4.3878      1.00023
     12       5.2470     -0.02917
     13       5.9110      0.00000
     14       6.8952      0.00000
     15       8.4083      0.00000
     16       8.6523      0.00000
     17       9.0166      0.00000
     18       9.3603      0.00000

 k-point 118 :       0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8376      1.00000
      2     -10.8532      1.00000
      3     -10.6839      1.00000
      4     -10.6443      1.00000
      5      -0.5284      1.00000
      6      -0.4825      1.00000
      7      -0.3292      1.00000
      8      -0.2822      1.00000
      9      -0.2741      1.00000
     10       1.6170      1.00000
     11       4.0442      1.00000
     12       5.1035      0.02454
     13       5.7100      0.00000
     14       7.1153      0.00000
     15       8.6571      0.00000
     16       8.7128      0.00000
     17       8.9649      0.00000
     18       9.2623      0.00000

 k-point 119 :       0.5000    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8357      1.00000
      2     -10.8832      1.00000
      3     -10.7065      1.00000
      4     -10.6579      1.00000
      5      -0.4810      1.00000
      6      -0.4417      1.00000
      7      -0.2982      1.00000
      8      -0.2800      1.00000
      9      -0.2568      1.00000
     10       2.0177      1.00000
     11       3.7116      1.00000
     12       5.0417      0.16521
     13       5.5391     -0.00014
     14       7.3803      0.00000
     15       8.5526      0.00000
     16       8.6455      0.00000
     17       9.0261      0.00000
     18       9.3628      0.00000

 k-point 120 :      -0.4375    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8345      1.00000
      2     -10.9027      1.00000
      3     -10.7214      1.00000
      4     -10.6672      1.00000
      5      -0.4332      1.00000
      6      -0.3935      1.00000
      7      -0.3079      1.00000
      8      -0.2877      1.00000
      9      -0.2410      1.00000
     10       2.3734      1.00000
     11       3.4115      1.00000
     12       5.0443      0.15755
     13       5.4247     -0.00217
     14       7.6167      0.00000
     15       8.2281      0.00000
     16       8.6776      0.00000
     17       9.1182      0.00000
     18       9.5341      0.00000

 k-point 121 :      -0.3750    0.2500    0.1250
  band No.  band energies     occupation
      1     -30.8341      1.00000
      2     -10.9094      1.00000
      3     -10.7267      1.00000
      4     -10.6706      1.00000
      5      -0.4094      1.00000
      6      -0.3545      1.00000
      7      -0.3353      1.00000
      8      -0.2926      1.00000
      9      -0.2349      1.00000
     10       2.5528      1.00000
     11       3.2536      1.00000
     12       5.0571      0.12134
     13       5.3838     -0.00479
     14       7.7139      0.00000
     15       8.0962      0.00000
     16       8.8422      0.00000
     17       8.8854      0.00000
     18       9.6180      0.00000

 k-point 122 :       0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8368      1.00000
      2     -10.8542      1.00000
      3     -10.6856      1.00000
      4     -10.6581      1.00000
      5      -0.5410      1.00000
      6      -0.5407      1.00000
      7      -0.3857      1.00000
      8      -0.2571      1.00000
      9      -0.2504      1.00000
     10       1.6076      1.00000
     11       4.1373      1.00000
     12       5.1289     -0.00683
     13       6.0270      0.00000
     14       7.0064      0.00000
     15       8.7854      0.00000
     16       8.9274      0.00000
     17       8.9301      0.00000
     18       9.2233      0.00000

 k-point 123 :       0.5000    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8352      1.00000
      2     -10.8710      1.00000
      3     -10.7131      1.00000
      4     -10.6722      1.00000
      5      -0.5141      1.00000
      6      -0.5069      1.00000
      7      -0.3519      1.00000
      8      -0.2620      1.00000
      9      -0.2308      1.00000
     10       1.8752      1.00000
     11       4.0076      1.00000
     12       5.0341      0.18919
     13       5.8474      0.00000
     14       7.2601      0.00000
     15       8.5949      0.00000
     16       8.9443      0.00000
     17       9.0752      0.00000
     18       9.2774      0.00000

 k-point 124 :      -0.4375    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8340      1.00000
      2     -10.8788      1.00000
      3     -10.7388      1.00000
      4     -10.6821      1.00000
      5      -0.4816      1.00000
      6      -0.4594      1.00000
      7      -0.3364      1.00000
      8      -0.2852      1.00000
      9      -0.2183      1.00000
     10       2.1227      1.00000
     11       3.8627      1.00000
     12       5.0210      0.23308
     13       5.6619      0.00000
     14       7.4674      0.00000
     15       8.3323      0.00000
     16       8.9286      0.00000
     17       9.1408      0.00000
     18       9.4704      0.00000

 k-point 125 :      -0.3750    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8334      1.00000
      2     -10.8791      1.00000
      3     -10.7570      1.00000
      4     -10.6855      1.00000
      5      -0.4614      1.00000
      6      -0.4049      1.00000
      7      -0.3276      1.00000
      8      -0.3196      1.00000
      9      -0.2151      1.00000
     10       2.3170      1.00000
     11       3.7123      1.00000
     12       5.0302      0.20181
     13       5.5273     -0.00019
     14       7.5459      0.00000
     15       8.2058      0.00000
     16       8.9757      0.00000
     17       9.0153      0.00000
     18       9.6132      0.00000

 k-point 126 :      -0.3125    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8336      1.00000
      2     -10.8763      1.00000
      3     -10.7603      1.00000
      4     -10.6818      1.00000
      5      -0.4703      1.00000
      6      -0.3703      1.00000
      7      -0.3510      1.00000
      8      -0.3039      1.00000
      9      -0.2211      1.00000
     10       2.3855      1.00000
     11       3.6222      1.00000
     12       4.9882      0.35731
     13       5.4953     -0.00044
     14       7.6327      0.00000
     15       8.0196      0.00000
     16       8.9169      0.00000
     17       9.2129      0.00000
     18       9.6348      0.00000

 k-point 127 :      -0.2500    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8344      1.00000
      2     -10.8729      1.00000
      3     -10.7456      1.00000
      4     -10.6723      1.00000
      5      -0.4958      1.00000
      6      -0.4160      1.00000
      7      -0.3105      1.00000
      8      -0.2867      1.00000
      9      -0.2359      1.00000
     10       2.2548      1.00000
     11       3.6682      1.00000
     12       4.9485      0.52281
     13       5.5342     -0.00016
     14       7.5432      0.00000
     15       8.1142      0.00000
     16       8.9379      0.00000
     17       9.2510      0.00000
     18       9.4872      0.00000

 k-point 128 :      -0.1875    0.3125    0.1250
  band No.  band energies     occupation
      1     -30.8358      1.00000
      2     -10.8663      1.00000
      3     -10.7175      1.00000
      4     -10.6588      1.00000
      5      -0.5189      1.00000
      6      -0.4560      1.00000
      7      -0.2991      1.00000
      8      -0.2789      1.00000
      9      -0.2573      1.00000
     10       1.9664      1.00000
     11       3.8291      1.00000
     12       4.9853      0.36891
     13       5.6072     -0.00002
     14       7.3028      0.00000
     15       8.5158      0.00000
     16       8.9188      0.00000
     17       9.0531      0.00000
     18       9.2258      0.00000

 k-point 129 :       0.5000    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8345      1.00000
      2     -10.8739      1.00000
      3     -10.7092      1.00000
      4     -10.6861      1.00000
      5      -0.5684      1.00000
      6      -0.5269      1.00000
      7      -0.4108      1.00000
      8      -0.2396      1.00000
      9      -0.2102      1.00000
     10       1.7221      1.00000
     11       4.3599      1.00011
     12       5.0519      0.13560
     13       6.1515      0.00000
     14       7.2166      0.00000
     15       8.6643      0.00000
     16       9.1211      0.00000
     17       9.1338      0.00000
     18       9.2529      0.00000

 k-point 130 :      -0.4375    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8334      1.00000
      2     -10.8714      1.00000
      3     -10.7381      1.00000
      4     -10.6975      1.00000
      5      -0.5299      1.00000
      6      -0.5112      1.00000
      7      -0.3869      1.00000
      8      -0.2598      1.00000
      9      -0.1991      1.00000
     10       1.8827      1.00000
     11       4.3734      1.00016
     12       5.0030      0.29920
     13       5.8754      0.00000
     14       7.4478      0.00000
     15       8.4424      0.00000
     16       9.1442      0.00000
     17       9.2026      0.00000
     18       9.4483      0.00000

 k-point 131 :      -0.3750    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8328      1.00000
      2     -10.8581      1.00000
      3     -10.7718      1.00000
      4     -10.7005      1.00000
      5      -0.5016      1.00000
      6      -0.4720      1.00000
      7      -0.3641      1.00000
      8      -0.2927      1.00000
      9      -0.1970      1.00000
     10       2.0627      1.00000
     11       4.2636      1.00001
     12       5.0133      0.26066
     13       5.6141     -0.00002
     14       7.5270      0.00000
     15       8.3266      0.00000
     16       9.1156      0.00000
     17       9.1817      0.00000
     18       9.5768      0.00000

 k-point 132 :      -0.3125    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8328      1.00000
      2     -10.8424      1.00000
      3     -10.7971      1.00000
      4     -10.6962      1.00000
      5      -0.4972      1.00000
      6      -0.4117      1.00000
      7      -0.3357      1.00000
      8      -0.3334      1.00000
      9      -0.2027      1.00000
     10       2.2320      1.00000
     11       4.0470      1.00000
     12       4.9628      0.46270
     13       5.5229     -0.00022
     14       7.5811      0.00000
     15       8.0716      0.00000
     16       9.1607      0.00000
     17       9.2805      0.00000
     18       9.5334      0.00000

 k-point 133 :      -0.2500    0.3750    0.1250
  band No.  band energies     occupation
      1     -30.8334      1.00000
      2     -10.8536      1.00000
      3     -10.7821      1.00000
      4     -10.6860      1.00000
      5      -0.4994      1.00000
      6      -0.3783      1.00000
      7      -0.3547      1.00000
      8      -0.3052      1.00000
      9      -0.2169      1.00000
     10       2.3257      1.00000
     11       3.7997      1.00000
     12       4.9144      0.66371
     13       5.5329     -0.00017
     14       7.7684      0.00000
     15       7.7771      0.00000
     16       9.1559      0.00000
     17       9.2488      0.00000
     18       9.5805      0.00000

 k-point 134 :      -0.4375    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.8329      1.00000
      2     -10.8798      1.00000
      3     -10.7247      1.00000
      4     -10.7078      1.00000
      5      -0.5864      1.00000
      6      -0.5283      1.00000
      7      -0.4362      1.00000
      8      -0.2335      1.00000
      9      -0.1871      1.00000
     10       1.6878      1.00000
     11       4.8404      0.90505
     12       5.0073      0.28280
     13       6.0892      0.00000
     14       7.4639      0.00000
     15       8.5850      0.00000
     16       9.2463      0.00000
     17       9.2821      0.00000
     18       9.4627      0.00000

 k-point 135 :      -0.3750    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.8325      1.00000
      2     -10.8644      1.00000
      3     -10.7551      1.00000
      4     -10.7127      1.00000
      5      -0.5415      1.00000
      6      -0.5235      1.00000
      7      -0.4053      1.00000
      8      -0.2607      1.00000
      9      -0.1848      1.00000
     10       1.8353      1.00000
     11       4.7977      0.98505
     12       5.0336      0.19073
     13       5.6633      0.00000
     14       7.6105      0.00000
     15       8.4786      0.00000
     16       9.2392      0.00000
     17       9.3414      0.00000
     18       9.4693      0.00000

 k-point 136 :      -0.3125    0.4375    0.1250
  band No.  band energies     occupation
      1     -30.8324      1.00000
      2     -10.8400      1.00000
      3     -10.7932      1.00000
      4     -10.7073      1.00000
      5      -0.5160      1.00000
      6      -0.4773      1.00000
      7      -0.3713      1.00000
      8      -0.2968      1.00000
      9      -0.1906      1.00000
     10       2.0277      1.00000
     11       4.5096      1.00366
     12       5.0009      0.30706
     13       5.5013     -0.00038
     14       7.5959      0.00000
     15       8.2678      0.00000
     16       9.3181      0.00000
     17       9.3472      0.00000
     18       9.4441      0.00000

 k-point 137 :      -0.3750    0.5000    0.1250
  band No.  band energies     occupation
      1     -30.8324      1.00000
      2     -10.8802      1.00000
      3     -10.7301      1.00000
      4     -10.7163      1.00000
      5      -0.5928      1.00000
      6      -0.5343      1.00000
      7      -0.4444      1.00000
      8      -0.2319      1.00000
      9      -0.1803      1.00000
     10       1.6620      1.00000
     11       4.9926      0.33992
     12       5.1552     -0.02577
     13       5.9276      0.00000
     14       7.5884      0.00000
     15       8.6302      0.00000
     16       9.3314      0.00000
     17       9.3663      0.00000
     18       9.4125      0.00000

 k-point 138 :      -0.4375    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.8339      1.00000
      2     -10.8670      1.00000
      3     -10.7430      1.00000
      4     -10.6885      1.00000
      5      -0.5118      1.00000
      6      -0.4764      1.00000
      7      -0.3380      1.00000
      8      -0.2860      1.00000
      9      -0.2135      1.00000
     10       2.0601      1.00000
     11       4.0299      1.00000
     12       4.9489      0.52146
     13       5.6990      0.00000
     14       7.5110      0.00000
     15       8.2410      0.00000
     16       9.1226      0.00000
     17       9.2132      0.00000
     18       9.5245      0.00000

 k-point 139 :      -0.3750    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.8331      1.00000
      2     -10.8558      1.00000
      3     -10.7703      1.00000
      4     -10.7006      1.00000
      5      -0.5038      1.00000
      6      -0.4300      1.00000
      7      -0.3384      1.00000
      8      -0.3241      1.00000
      9      -0.2012      1.00000
     10       2.1934      1.00000
     11       4.0536      1.00000
     12       4.9471      0.52872
     13       5.5224     -0.00022
     14       7.7083      0.00000
     15       8.1004      0.00000
     16       9.1325      0.00000
     17       9.2290      0.00000
     18       9.5622      0.00000

 k-point 140 :      -0.3125    0.3750    0.1875
  band No.  band energies     occupation
      1     -30.8328      1.00000
      2     -10.8480      1.00000
      3     -10.7835      1.00000
      4     -10.7051      1.00000
      5      -0.4992      1.00000
      6      -0.3800      1.00000
      7      -0.3751      1.00000
      8      -0.3378      1.00000
      9      -0.1964      1.00000
     10       2.2427      1.00000
     11       4.0601      1.00000
     12       4.9808      0.38727
     13       5.4241     -0.00220
     14       7.7151      0.00000
     15       8.1792      0.00000
     16       9.0989      0.00000
     17       9.1632      0.00000
     18       9.5979      0.00000

 k-point 141 :      -0.3750    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.8327      1.00000
      2     -10.8551      1.00000
      3     -10.7599      1.00000
      4     -10.7165      1.00000
      5      -0.5216      1.00000
      6      -0.4903      1.00000
      7      -0.3711      1.00000
      8      -0.2938      1.00000
      9      -0.1885      1.00000
     10       1.9988      1.00000
     11       4.5244      1.00482
     12       4.9342      0.58311
     13       5.5248     -0.00021
     14       7.7605      0.00000
     15       8.2961      0.00000
     16       9.2449      0.00000
     17       9.2846      0.00000
     18       9.5144      0.00000

 k-point 142 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.8324      1.00000
      2     -10.8315      1.00000
      3     -10.7893      1.00000
      4     -10.7231      1.00000
      5      -0.5228      1.00000
      6      -0.4377      1.00000
      7      -0.3590      1.00000
      8      -0.3391      1.00000
      9      -0.1847      1.00000
     10       2.1124      1.00000
     11       4.5249      1.00486
     12       4.9576      0.48471
     13       5.2466     -0.02925
     14       7.9142      0.00000
     15       8.2592      0.00000
     16       9.2143      0.00000
     17       9.3111      0.00000
     18       9.4749      0.00000

 k-point 143 :      -0.2500    0.4375    0.1875
  band No.  band energies     occupation
      1     -30.8325      1.00000
      2     -10.8256      1.00000
      3     -10.8004      1.00000
      4     -10.7162      1.00000
      5      -0.5173      1.00000
      6      -0.3868      1.00000
      7      -0.3802      1.00000
      8      -0.3457      1.00000
      9      -0.1893      1.00000
     10       2.1876      1.00000
     11       4.3156      1.00003
     12       4.9294      0.60292
     13       5.3259     -0.01225
     14       7.9640      0.00000
     15       8.0390      0.00000
     16       9.2687      0.00000
     17       9.3057      0.00000
     18       9.5097      0.00000

 k-point 144 :      -0.3125    0.5000    0.1875
  band No.  band energies     occupation
      1     -30.8323      1.00000
      2     -10.8469      1.00000
      3     -10.7657      1.00000
      4     -10.7296      1.00000
      5      -0.5315      1.00000
      6      -0.4951      1.00000
      7      -0.3817      1.00000
      8      -0.2986      1.00000
      9      -0.1801      1.00000
     10       1.9640      1.00000
     11       4.9304      0.59897
     12       5.0207      0.23430
     13       5.1311     -0.00882
     14       7.8937      0.00000
     15       8.4328      0.00000
     16       9.2777      0.00000
     17       9.3614      0.00000
     18       9.3754      0.00000

 k-point 145 :      -0.2500    0.5000    0.2500
  band No.  band energies     occupation
      1     -30.8322      1.00000
      2     -10.8068      1.00000
      3     -10.8068      1.00000
      4     -10.7351      1.00000
      5      -0.5305      1.00000
      6      -0.3903      1.00000
      7      -0.3903      1.00000
      8      -0.3583      1.00000
      9      -0.1802      1.00000
     10       2.1336      1.00000
     11       4.7844      1.00127
     12       4.9366      0.57315
     13       4.9366      0.57315
     14       8.1885      0.00000
     15       8.1885      0.00000
     16       9.2514      0.00000
     17       9.3588      0.00000
     18       9.3997      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x    18.7924    0.0000    3.4305    0.0000    1.7988    0.0000    0.3106    0.0000   -0.2248    0.0000
x    -0.0098    0.0000    0.0244    0.0000   -0.0082    0.0000    0.0013    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    18.7924    0.0000    3.4305    0.0000    1.7988    0.0000    0.3106    0.0000   -0.2248    0.0000
y    -0.0098    0.0000    0.0244    0.0000   -0.0082    0.0000    0.0013    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    18.7924    0.0000    3.4305    0.0000    1.7988    0.0000    0.3106    0.0000   -0.2248    0.0000
z    -0.0098    0.0000    0.0244    0.0000   -0.0082    0.0000    0.0013    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x    22.0000    0.0000   -2.7186    0.0000    3.6615    0.0000   -1.3622    0.0000    0.0265    0.0000
x     0.0013    0.0000    0.0134    0.0000   -0.0136    0.0000    0.0033    0.0000    0.0020    0.0000
x    -0.0003    0.0000   -0.0006    0.0000   -0.0001    0.0000    0.0001    0.0000    0.0001    0.0000
x     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    22.0000    0.0000   -2.7186    0.0000    3.6615    0.0000   -1.3622    0.0000    0.0265    0.0000
y     0.0013    0.0000    0.0134    0.0000   -0.0136    0.0000    0.0033    0.0000    0.0020    0.0000
y    -0.0003    0.0000   -0.0006    0.0000   -0.0001    0.0000    0.0001    0.0000    0.0001    0.0000
y     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    22.0000    0.0000   -2.7186    0.0000    3.6615    0.0000   -1.3622    0.0000    0.0265    0.0000
z     0.0013    0.0000    0.0134    0.0000   -0.0136    0.0000    0.0033    0.0000    0.0020    0.0000
z    -0.0003    0.0000   -0.0006    0.0000   -0.0001    0.0000    0.0001    0.0000    0.0001    0.0000
z     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000

 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x    -0.0224    0.0000   -0.0016    0.0000   -0.0002    0.0000    0.0002    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    -0.0224    0.0000   -0.0016    0.0000   -0.0002    0.0000    0.0002    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    -0.0224    0.0000   -0.0016    0.0000   -0.0002    0.0000    0.0002    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x    -0.0308    0.0000   -0.0015    0.0000   -0.0004    0.0000    0.0008    0.0000    0.0004    0.0000
x     0.0004    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y    -0.0308    0.0000   -0.0015    0.0000   -0.0004    0.0000    0.0008    0.0000    0.0004    0.0000
y     0.0004    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z    -0.0308    0.0000   -0.0015    0.0000   -0.0004    0.0000    0.0008    0.0000    0.0004    0.0000
z     0.0004    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000

 pseudopotential strength for first ion, spin component:           1
 34.093  -5.015   0.000   0.000   0.000   0.000   0.000   0.000
 -5.015  -5.647   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  10.321   0.000   0.000   0.030   0.000   0.000
  0.000   0.000   0.000  10.321   0.000   0.000   0.030   0.000
  0.000   0.000   0.000   0.000  10.321   0.000   0.000   0.030
  0.000   0.000   0.030   0.000   0.000   0.091   0.000   0.000
  0.000   0.000   0.000   0.030   0.000   0.000   0.091   0.000
  0.000   0.000   0.000   0.000   0.030   0.000   0.000   0.091
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.004   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.005   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.004   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
 34.093  -5.014   0.000   0.000   0.000   0.000   0.000   0.000
 -5.014  -5.647   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  10.321   0.000   0.000   0.030   0.000   0.000
  0.000   0.000   0.000  10.321   0.000   0.000   0.030   0.000
  0.000   0.000   0.000   0.000  10.321   0.000   0.000   0.030
  0.000   0.000   0.030   0.000   0.000   0.091   0.000   0.000
  0.000   0.000   0.000   0.030   0.000   0.000   0.091   0.000
  0.000   0.000   0.000   0.000   0.030   0.000   0.000   0.091
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.004   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.003   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  2.589  -0.952   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.952   1.537   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   2.050   0.000   0.000  -0.100   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   2.050   0.000   0.000  -0.100   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   2.050   0.000   0.000  -0.100   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.100   0.000   0.000   0.262   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.100   0.000   0.000   0.262   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.100   0.000   0.000   0.262   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.174   0.000   0.000   0.000   0.000  -0.063   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.174   0.000   0.000   0.000   0.000  -0.063   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.301   0.000   0.000   0.000   0.000  -0.138
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.174   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.301   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.063   0.000   0.000   0.000   0.000   0.028   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.063   0.000   0.000   0.000   0.000   0.028   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.138   0.000   0.000   0.000   0.000   0.072
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.063   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.138   0.000   0.000   0.000
  0.000   0.000   0.012   0.000   0.000  -0.026   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.009   0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.015   0.000   0.000   0.032   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.009   0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.012   0.000   0.000   0.026   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.008   0.000   0.000   0.034   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.006   0.000   0.000   0.026   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.010   0.000   0.000  -0.042   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.006   0.000   0.000   0.026   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.008   0.000   0.000  -0.034   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.001  -0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.001   0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.001   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.001   0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.001   0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.001   0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.001   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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





 total charge

# of ion     s       p       d       f       tot
------------------------------------------------
  1        2.102   5.547   0.501   0.057   8.208
  2        0.540   0.159   8.871   0.000   9.571
------------------------------------------------
tot        2.643   5.707   9.373   0.057  17.780




 magnetization (x)

# of ion     s       p       d       f       tot
------------------------------------------------
  1        0.000  -0.001  -0.007   0.000  -0.009
  2        0.000  -0.002  -0.001   0.000  -0.003
------------------------------------------------
tot        0.000  -0.003  -0.009   0.000  -0.012


    CHARGE:  cpu time    3.96: real time    3.96
    FORLOC:  cpu time    0.01: real time    0.01
    FORNL :  cpu time    3.22: real time    3.22
    STRESS:  cpu time    5.81: real time    5.81
    FORCOR:  cpu time    0.35: real time    0.35
    FORHAR:  cpu time    0.04: real time    0.04
    MIXING:  cpu time    0.01: real time    0.01
    FORVDW:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   115.64811   115.64811   115.64811
  Ewald    -505.55416  -505.55416  -505.55416     0.00000     0.00000     0.00000
  Hartree   131.74443   131.74443   131.74443     0.00000     0.00000     0.00000
  E(xc)    -106.35707  -106.35707  -106.35707     0.00000     0.00000     0.00000
  Local      44.47041    44.47041    44.47041     0.00002     0.00002     0.00002
  n-local    17.43109    16.54960    19.97456    -4.93524     3.97277    -2.78326
  augment    15.21652    15.21652    15.21652     0.00000     0.00000     0.00000
  Kinetic   284.27565   286.94122   289.06056     1.43749    -3.15143     1.43547
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.08751    -0.08751    -0.08751     0.00000     0.00000     0.00000
  in kB      -2.02429    -2.02429    -2.02429     0.00000     0.00000     0.00000
  external pressure =       -2.02 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      249.80
  volume of cell :       69.26
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  3.259549072  3.259549072    -0.153395451  0.153395451  0.153395451
     3.259549072  0.000000000  3.259549072     0.153395451 -0.153395451  0.153395451
     3.259549072  3.259549072  0.000000000     0.153395451  0.153395451 -0.153395451

  length of vectors
     4.609698504  4.609698504  4.609698504     0.265688715  0.265688715  0.265688715


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.323E-03 -.323E-03 -.323E-03   0.689E-03 0.689E-03 0.689E-03   0.127E-20 -.847E-21 0.632E-21   0.812E-07 0.812E-07 0.812E-07
   -.173E-02 -.173E-02 -.173E-02   -.689E-03 -.689E-03 -.689E-03   -.254E-20 0.169E-20 0.837E-21   -.145E-05 -.145E-05 -.145E-05
 -----------------------------------------------------------------------------------------------
   -.206E-02 -.206E-02 -.206E-02   -.243E-15 -.379E-15 -.272E-14   -.127E-20 0.847E-21 0.147E-20   -.137E-05 -.137E-05 -.137E-05


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      3.25956      3.25956      3.25956         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.002057     -0.002057     -0.002057


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -7.14173545 eV

  energy  without entropy=       -7.13185574  energy(sigma->0) =       -7.13844222

 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.2758253E-02-0.276E-02
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.8161414E+01-0.816E+01


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


    POTLOK:  cpu time    0.43: real time    0.43


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




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



 reached required accuracy - stopping structural energy minimisation
     LOOP+:  cpu time  271.52: real time  271.66
    4ORBIT:  cpu time    0.00: real time    0.00



 total charge

# of ion     s       p       d       f       tot
------------------------------------------------
  1        2.102   5.547   0.501   0.057   8.208
  2        0.540   0.159   8.871   0.000   9.571
------------------------------------------------
tot        2.643   5.707   9.373   0.057  17.780




 magnetization (x)

# of ion     s       p       d       f       tot
------------------------------------------------
  1        0.000  -0.001  -0.007   0.000  -0.009
  2        0.000  -0.002  -0.001   0.000  -0.003
------------------------------------------------
tot        0.000  -0.003  -0.009   0.000  -0.012



 total amount of memory used by VASP on root node   142468. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      46048. kBytes
   grid      :      10266. kBytes
   one-center:        196. kBytes
   wavefun   :      55958. kBytes



 General timing and accounting informations for this job:
 ========================================================

                  Total CPU time used (sec):     1237.037
                            User time (sec):     1232.730
                          System time (sec):        4.307
                         Elapsed time (sec):     1239.486

                   Maximum memory used (kb):      243772.
                   Average memory used (kb):           0.

                          Minor page faults:        77636
                          Major page faults:            0
                 Voluntary context switches:          946
