 vasp.5.2.12 11Nov11 complex                                                    

  

 executed on             LinuxIFC date 2020.09.08  09:55:39

 running on   48 nodes

 distr:  one band on    6 nodes,    8 groups





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





 INCAR:

 POTCAR:    PAW_PBE W_pv 06Sep2000                

 POTCAR:   PAW_PBE Sb 06Sep2000                   

 POTCAR:    PAW_PBE W_pv 06Sep2000                

   VRHFIN =W : 5p6s5d                                                           

   LEXCH  = PE                                                                  

   EATOM  =  1261.5580 eV,   92.7219 Ry                                         

                                                                                

   TITEL  = PAW_PBE W_pv 06Sep2000                                              

   LULTRA =        F    use ultrasoft PP ?                                      

   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           

   RPACOR =    2.330    partial core radius                                     

   POMASS =  183.850; ZVAL   =   12.000    mass and valenz                      

   RCORE  =    2.500    outmost cutoff radius                                   

   RWIGS  =    2.750; RWIGS  =    1.455    wigner-seitz radius (au A)           

   ENMAX  =  223.057; ENMIN  =  167.293 eV                                      

   ICORE  =        3    local potential                                         

   LCOR   =        T    correct aug charges                                     

   LPAW   =        T    paw PP                                                  

   EAUG   =  373.438                                                            

   DEXC   =    0.000                                                            

   RMAX   =    3.087    core radius for proj-oper                               

   RAUG   =    1.300    factor for augmentation sphere                          

   RDEP   =    2.539    radius for radial grids                                 

   QCUT   =   -4.049; QGAM   =    8.098    optimization parameters              

                                                                                

   Description                                                                  

     l     E      TYP  RCUT    TYP  RCUT                                        

     1   -41.39     23  2.500                                                   

     1    -2.72     23  2.500                                                   

     2    -3.32     23  2.500                                                   

     2    -1.60     23  2.500                                                   

     0    -5.14     23  2.500                                                   

     0     4.91     23  2.500                                                   

     3    -1.36     23  2.500                                                   

  local pseudopotential read in

  partial core-charges read in

  atomic valenz-charges 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=           0  read in

    real space projection operators read in

  non local Contribution for L=           0  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

 

 POTCAR:   PAW_PBE Sb 06Sep2000                   

   VRHFIN =Sb: s2p3                                                             

   LEXCH  = PE                                                                  

   EATOM  =   149.8037 eV,   11.0103 Ry                                         

                                                                                

   TITEL  = PAW_PBE Sb 06Sep2000                                                

   LULTRA =        F    use ultrasoft PP ?                                      

   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           

   RPACOR =    2.200    partial core radius                                     

   POMASS =  121.750; ZVAL   =    5.000    mass and valenz                      

   RCORE  =    2.300    outmost cutoff radius                                   

   RWIGS  =    2.980; RWIGS  =    1.577    wigner-seitz radius (au A)           

   ENMAX  =  172.037; ENMIN  =  129.028 eV                                      

   ICORE  =        3    local potential                                         

   LCOR   =        T    correct aug charges                                     

   LPAW   =        T    paw PP                                                  

   EAUG   =  380.513                                                            

   DEXC   =    -.415                                                            

   RMAX   =    3.515    core radius for proj-oper                               

   RAUG   =    1.300    factor for augmentation sphere                          

   RDEP   =    2.360    radius for radial grids                                 

   QCUT   =   -3.556; QGAM   =    7.112    optimization parameters              

                                                                                

   Description                                                                  

     l     E      TYP  RCUT    TYP  RCUT                                        

     0   .000     23  2.300                                                     

     0  1.000     23  2.300                                                     

     1   .000     23  2.300                                                     

     1   .000     23  2.300                                                     

     2   .000     23  2.300                                                     

     3  -.100     23  2.300                                                     

  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

    PAW grid and wavefunctions read in

 

   number of l-projection  operators is LMAX  =           5

   number of lm-projection operators is LMMAX =          13

 

 Optimization of the real space projectors (new method)



 maximal supplied QI-value         = 15.12

 optimisation between [QCUT,QGAM] = [  9.37, 18.75] = [ 24.60, 98.41] Ry 

 Optimized for a Real-space Cutoff    1.64 Angstroem



   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 

   1      9     9.373     4.278    0.43E-04    0.48E-04    0.42E-07

   1      9     9.373     5.278    0.16E-03    0.11E-03    0.10E-06

   2      8     9.373    67.938    0.90E-04    0.88E-04    0.12E-06

   2      8     9.373    59.529    0.91E-04    0.84E-04    0.11E-06

   0      9     9.373   103.405    0.57E-04    0.57E-04    0.75E-07

   0      9     9.373    56.752    0.49E-04    0.52E-04    0.70E-07

 Optimization of the real space projectors (new method)



 maximal supplied QI-value         = 16.25

 optimisation between [QCUT,QGAM] = [  9.43, 18.85] = [ 24.88, 99.52] Ry 

 Optimized for a Real-space Cutoff    1.45 Angstroem



   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 

   0      8     9.426     8.128    0.17E-04    0.15E-05    0.50E-08

   0      8     9.426    11.832    0.15E-03    0.17E-03    0.70E-07

   1      8     9.426     6.307    0.26E-04    0.43E-04    0.22E-07

   1      8     9.426    94.176    0.19E-03    0.17E-03    0.82E-07

   2      7     9.426     6.955    0.12E-03    0.14E-03    0.43E-07

  PAW_PBE W_pv 06Sep2000                :

 energy of atom  1       EATOM=-1261.5580

 kinetic energy error for atom=    0.0106 (will be added to EATOM!!)

 PAW_PBE Sb 06Sep2000                   :

 energy of atom  2       EATOM= -149.8037

 kinetic energy error for atom=    0.0014 (will be added to EATOM!!)

 

 

 POSCAR: WSb 110                                 

  positions in direct lattice

  velocities in cartesian coordinates

 exchange correlation table for  LEXCH =        8

   RHO(1)=    0.500       N(1)  =     2000

   RHO(2)=  100.500       N(2)  =     4000

 





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





 ion  position               nearest neighbor table

   1  0.000  0.000  0.000-   3 2.69   3 2.69   2 2.76   2 2.76  10 2.76  10 2.76  12 3.14   4 3.14



   2  0.500  0.250  0.000-   4 2.70   4 2.70   1 2.76   1 2.76   9 2.76   9 2.76   3 3.12  11 3.13



   3  0.499  0.000  0.108-   1 2.69   1 2.69   5 2.75   5 2.75   4 2.76   4 2.76  12 2.76  12 2.76

                             2 3.12  10 3.12  14 3.19   6 3.19

   4  0.999  0.250  0.109-   2 2.70   2 2.70   6 2.75   6 2.75  11 2.75  11 2.76   3 2.76   3 2.76

                             9 3.13   1 3.14   5 3.17  13 3.19

   5  0.999  0.000  0.221-   7 2.69   7 2.69  14 2.75  14 2.75   6 2.75   6 2.75   3 2.75   3 2.75

                             4 3.17  12 3.17   8 3.23  16 3.23

   6  0.499  0.250  0.222-   5 2.75   5 2.75   4 2.75   4 2.75  13 2.76  13 2.76   8 2.79   8 2.79

                             7 3.11  15 3.15  11 3.19   3 3.19

   7  0.499  0.000  0.329-   5 2.69   5 2.69   8 2.77  16 2.77   8 2.77  16 2.77  17 2.81  17 2.81

                            14 3.11   6 3.11

   8  0.999  0.251  0.336-  15 2.75  15 2.75   7 2.77   7 2.77   6 2.79   6 2.79  18 2.92  18 2.92

                            17 3.14  13 3.19   5 3.23

   9  0.000  0.500  0.000-  11 2.69  11 2.70  10 2.76  10 2.76   2 2.76   2 2.76   4 3.13  12 3.14



  10  0.500  0.750  0.000-  12 2.70  12 2.70   9 2.76   9 2.76   1 2.76   1 2.76   3 3.12  11 3.13



  11  0.499  0.500  0.109-   9 2.69   9 2.70  12 2.75  12 2.75   4 2.75   4 2.76  13 2.77  13 2.77

                            10 3.13   2 3.13   6 3.19  14 3.19

  12  0.999  0.750  0.109-  10 2.70  10 2.70  14 2.75  14 2.75  11 2.75  11 2.75   3 2.76   3 2.76

                             9 3.14   1 3.14   5 3.17  13 3.19

  13  0.999  0.500  0.222-  15 2.70  15 2.70  14 2.76  14 2.76   6 2.76   6 2.76  11 2.77  11 2.77

                            12 3.19   4 3.19  16 3.19   8 3.19

  14  0.499  0.751  0.222-   5 2.75   5 2.75  12 2.75  12 2.75  13 2.76  13 2.76  16 2.79  16 2.79

                             7 3.11  15 3.15   3 3.19  11 3.19

  15  0.499  0.500  0.331-  13 2.70  13 2.70  16 2.75  16 2.75   8 2.75   8 2.75  18 2.87  19 2.87

                            14 3.15   6 3.15

  16  0.999  0.749  0.336-  15 2.75  15 2.75   7 2.77   7 2.77  14 2.79  14 2.79  19 2.92  19 2.92

                            17 3.14  13 3.19   5 3.23

  17  0.998  0.000  0.445-   7 2.81   7 2.81   8 3.14  16 3.14  18 3.38  19 3.38  18 3.38  19 3.39



  18  0.499  0.332  0.453-  15 2.87   8 2.92   8 2.92  19 3.04  17 3.38  17 3.38

  19  0.500  0.669  0.453-  15 2.87  16 2.92  16 2.92  18 3.04  17 3.38  17 3.39

 



IMPORTANT INFORMATION: All symmetrisations will be switched off!

NOSYMM: (Re-)initialisation of all symmetry stuff for point group C_1.



 

 

 KPOINTS: kpoints for bandstructure G-K-M'        

  interpolating k-points between supplied coordinates

  k-points in reciprocal lattice





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









 Dimension of arrays:

   k-points           NKPTS =     64   k-points in BZ     NKDIM =     64   number of bands    NBANDS=    128

   number of dos      NEDOS =    301   number of ions     NIONS =     19

   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18

   total plane-waves  NPLWV = 129600

   max r-space proj   IRMAX =   4198   max aug-charges    IRDMAX=  13103

   dimension x,y,z NGX =    20 NGY =   54 NGZ =  120

   dimension x,y,z NGXF=    40 NGYF=  108 NGZF=  240

   support grid    NGXF=    40 NGYF=  108 NGZF=  240

   ions per type =              16   3

 NGX,Y,Z   is equivalent  to a cutoff of  10.44,  9.97,  9.97 a.u.

 NGXF,Y,Z  is equivalent  to a cutoff of  20.89, 19.94, 19.95 a.u.





 I would recommend the setting:

   dimension x,y,z NGX =    19 NGY =   54 NGZ =  120

 SYSTEM =  WSb 110                                 

 POSCAR =  WSb 110                                 



 Startparameter for this run:

   NWRITE =      2    write-flag & timer

   PREC   = accura    normal or accurate (medium, high low for compatibility)

   ISTART =      0    job   : 0-new  1-cont  2-samecut

   ICHARG =     11    charge: 1-file 2-atom 10-const

   ISPIN  =      1    spin polarized calculation?

   LNONCOLLINEAR =      F non collinear calculations

   LSORBIT =      F    spin-orbit coupling

   INIWAV =      1    electr: 0-lowe 1-rand  2-diag

   LASPH  =      F    aspherical Exc in radial PAW

   METAGGA=      F    non-selfconsistent MetaGGA calc.



 Electronic Relaxation 1

   ENCUT  =  340.0 eV  24.99 Ry    5.00 a.u.   4.79 13.54 30.07*2*pi/ulx,y,z

   ENINI  =  340.0     initial cutoff

   ENAUG  =  380.5 eV  augmentation charge cutoff

   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 

   EDIFF  = 0.1E-05   stopping-criterion for ELM

   LREAL  =      T    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     =    4 max onsite mixed and CHGCAR

   VOSKOWN=      0    Vosko Wilk Nusair interpolation

   ROPT   =   -0.00025  -0.00025

 Ionic relaxation

   EDIFFG = 0.1E-04   stopping-criterion for IOM

   NSW    =      0    number of steps for IOM

   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 

   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG

   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)

   ISIF   =      2    stress and relaxation

   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb

   ISYM   =      0    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=  -0.232E-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 = 183.85121.75

  Ionic Valenz

   ZVAL   =  12.00  5.00

  Atomic Wigner-Seitz radii

   RWIGS  =  -1.00 -1.00

  virtual crystal weights 

   VCA    =   1.00  1.00

   NELECT =     207.0000    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  =     38    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



 Intra band minimization:

   WEIMIN = 0.0000     energy-eigenvalue tresh-hold

   EBREAK =  0.20E-08  absolut break condition

   DEPER  =   0.30     relativ break condition  



   TIME   =   0.40     timestep for ELM



  volume/ion in A,a.u.               =      30.17       203.60

  Fermi-wavevector in a.u.,A,eV,Ry     =   1.165789  2.203022 18.491200  1.359065

  Thomas-Fermi vector in A             =   2.302311

 

 Write flags

   LWAVE  =      F    write WAVECAR

   LCHARG =      F    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

   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







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





 Static calculation

 charge density and potential remain constant during run

 non-spin polarized calculation

 Variant of blocked Davidson

 Davidson routine will perform the subspace rotation

 perform sub-space diagonalisation

    after iterative eigenvector-optimisation

 no mixing

 using additional bands           24

 real space projection scheme for non local part

 use partial core corrections

 calculate Harris-corrections to forces 

   (improved forces if not selfconsistent)

 use gradient corrections 

 WARNING: stress and forces are not correct

  (second derivative of E(xc) not defined)

 use of overlap-Matrix (Vanderbilt PP)

 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20





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





  energy-cutoff  :      340.00

  volume of cell :      573.24

      direct lattice vectors                 reciprocal lattice vectors

     3.183316201  0.000000000  0.000000000     0.314137816  0.000000000  0.000000000

     0.000000000  9.003777890  0.000000000     0.000000000  0.111064490  0.000000000

     0.000000000  0.000000000 20.000000000     0.000000000  0.000000000  0.050000000



  length of vectors

     3.183316201  9.003777890 20.000000000     0.314137816  0.111064490  0.050000000





 

 k-points in units of 2pi/SCALE and weight: kpoints for bandstructure G-K-M'        

   0.00000000  0.00000000  0.00000000       0.016

   0.00000000  0.00352586  0.00000000       0.016

   0.00000000  0.00705171  0.00000000       0.016

   0.00000000  0.01057757  0.00000000       0.016

   0.00000000  0.01410343  0.00000000       0.016

   0.00000000  0.01762928  0.00000000       0.016

   0.00000000  0.02115514  0.00000000       0.016

   0.00000000  0.02468100  0.00000000       0.016

   0.00000000  0.02820685  0.00000000       0.016

   0.00000000  0.03173271  0.00000000       0.016

   0.00000000  0.03525857  0.00000000       0.016

   0.00000000  0.03878443  0.00000000       0.016

   0.00000000  0.04231028  0.00000000       0.016

   0.00000000  0.04583614  0.00000000       0.016

   0.00000000  0.04936200  0.00000000       0.016

   0.00000000  0.05288785  0.00000000       0.016

   0.00000000  0.05641371  0.00000000       0.016

   0.00000000  0.05993957  0.00000000       0.016

   0.00000000  0.06346542  0.00000000       0.016

   0.00000000  0.06699128  0.00000000       0.016

   0.00000000  0.07051714  0.00000000       0.016

   0.00000000  0.07404299  0.00000000       0.016

   0.00000000  0.07756885  0.00000000       0.016

   0.00000000  0.08109471  0.00000000       0.016

   0.00000000  0.08462056  0.00000000       0.016

   0.00000000  0.08814642  0.00000000       0.016

   0.00000000  0.09167228  0.00000000       0.016

   0.00000000  0.09519813  0.00000000       0.016

   0.00000000  0.09872399  0.00000000       0.016

   0.00000000  0.10224985  0.00000000       0.016

   0.00000000  0.10577570  0.00000000       0.016

   0.00000000  0.10930156  0.00000000       0.016

   0.00000000  0.11282742  0.00000000       0.016

   0.00000000  0.11635328  0.00000000       0.016

   0.00000000  0.11987913  0.00000000       0.016

   0.00000000  0.12340499  0.00000000       0.016

   0.00000000  0.12693085  0.00000000       0.016

   0.00000000  0.13045670  0.00000000       0.016

   0.00000000  0.13398256  0.00000000       0.016

   0.00000000  0.13750842  0.00000000       0.016

   0.00000000  0.14103427  0.00000000       0.016

   0.00000000  0.14456013  0.00000000       0.016

   0.00000000  0.14808599  0.00000000       0.016

   0.00000000  0.15161184  0.00000000       0.016

   0.00000000  0.15513770  0.00000000       0.016

   0.00000000  0.15866356  0.00000000       0.016

   0.00000000  0.16218941  0.00000000       0.016

   0.00000000  0.16571527  0.00000000       0.016

   0.00000000  0.16924113  0.00000000       0.016

   0.00000000  0.17276698  0.00000000       0.016

   0.00000000  0.17629284  0.00000000       0.016

   0.00000000  0.17981870  0.00000000       0.016

   0.00000000  0.18334456  0.00000000       0.016

   0.00000000  0.18687041  0.00000000       0.016

   0.00000000  0.19039627  0.00000000       0.016

   0.00000000  0.19392213  0.00000000       0.016

   0.00000000  0.19744798  0.00000000       0.016

   0.00000000  0.20097384  0.00000000       0.016

   0.00000000  0.20449970  0.00000000       0.016

   0.00000000  0.20802555  0.00000000       0.016

   0.00000000  0.21155141  0.00000000       0.016

   0.00000000  0.21507727  0.00000000       0.016

   0.00000000  0.21860312  0.00000000       0.016

   0.00000000  0.22212898  0.00000000       0.016

 

 k-points in reciprocal lattice and weights: kpoints for bandstructure G-K-M'        

   0.00000000  0.00000000  0.00000000       0.016

   0.00000000  0.03174603  0.00000000       0.016

   0.00000000  0.06349206  0.00000000       0.016

   0.00000000  0.09523810  0.00000000       0.016

   0.00000000  0.12698413  0.00000000       0.016

   0.00000000  0.15873016  0.00000000       0.016

   0.00000000  0.19047619  0.00000000       0.016

   0.00000000  0.22222222  0.00000000       0.016

   0.00000000  0.25396825  0.00000000       0.016

   0.00000000  0.28571429  0.00000000       0.016

   0.00000000  0.31746032  0.00000000       0.016

   0.00000000  0.34920635  0.00000000       0.016

   0.00000000  0.38095238  0.00000000       0.016

   0.00000000  0.41269841  0.00000000       0.016

   0.00000000  0.44444444  0.00000000       0.016

   0.00000000  0.47619048  0.00000000       0.016

   0.00000000  0.50793651  0.00000000       0.016

   0.00000000  0.53968254  0.00000000       0.016

   0.00000000  0.57142857  0.00000000       0.016

   0.00000000  0.60317460  0.00000000       0.016

   0.00000000  0.63492063  0.00000000       0.016

   0.00000000  0.66666667  0.00000000       0.016

   0.00000000  0.69841270  0.00000000       0.016

   0.00000000  0.73015873  0.00000000       0.016

   0.00000000  0.76190476  0.00000000       0.016

   0.00000000  0.79365079  0.00000000       0.016

   0.00000000  0.82539683  0.00000000       0.016

   0.00000000  0.85714286  0.00000000       0.016

   0.00000000  0.88888889  0.00000000       0.016

   0.00000000  0.92063492  0.00000000       0.016

   0.00000000  0.95238095  0.00000000       0.016

   0.00000000  0.98412698  0.00000000       0.016

   0.00000000  1.01587302  0.00000000       0.016

   0.00000000  1.04761905  0.00000000       0.016

   0.00000000  1.07936508  0.00000000       0.016

   0.00000000  1.11111111  0.00000000       0.016

   0.00000000  1.14285714  0.00000000       0.016

   0.00000000  1.17460317  0.00000000       0.016

   0.00000000  1.20634921  0.00000000       0.016

   0.00000000  1.23809524  0.00000000       0.016

   0.00000000  1.26984127  0.00000000       0.016

   0.00000000  1.30158730  0.00000000       0.016

   0.00000000  1.33333333  0.00000000       0.016

   0.00000000  1.36507937  0.00000000       0.016

   0.00000000  1.39682540  0.00000000       0.016

   0.00000000  1.42857143  0.00000000       0.016

   0.00000000  1.46031746  0.00000000       0.016

   0.00000000  1.49206349  0.00000000       0.016

   0.00000000  1.52380952  0.00000000       0.016

   0.00000000  1.55555556  0.00000000       0.016

   0.00000000  1.58730159  0.00000000       0.016

   0.00000000  1.61904762  0.00000000       0.016

   0.00000000  1.65079365  0.00000000       0.016

   0.00000000  1.68253968  0.00000000       0.016

   0.00000000  1.71428571  0.00000000       0.016

   0.00000000  1.74603175  0.00000000       0.016

   0.00000000  1.77777778  0.00000000       0.016

   0.00000000  1.80952381  0.00000000       0.016

   0.00000000  1.84126984  0.00000000       0.016

   0.00000000  1.87301587  0.00000000       0.016

   0.00000000  1.90476190  0.00000000       0.016

   0.00000000  1.93650794  0.00000000       0.016

   0.00000000  1.96825397  0.00000000       0.016

   0.00000000  2.00000000  0.00000000       0.016

 

 position of ions in fractional coordinates (direct lattice) 

   0.00000000  0.00000000  0.00000000

   0.49999997  0.24999995  0.00000000

   0.49930976  0.00018545  0.10825130

   0.99935930  0.25044546  0.10921375

   0.99893675  0.00021831  0.22059002

   0.49895715  0.24962928  0.22154952

   0.49852397  0.00025233  0.32922081

   0.99883669  0.25148769  0.33606129

   0.00000000  0.49999998  0.00000000

   0.49999997  0.74999989  0.00000000

   0.49924952  0.50017880  0.10880205

   0.99926253  0.74986881  0.10920390

   0.99888391  0.50029119  0.22228727

   0.49906453  0.75088758  0.22155781

   0.49879646  0.50025974  0.33141673

   0.99886117  0.74895680  0.33611960

   0.99812422  0.00048294  0.44478671

   0.49890824  0.33160051  0.45294714

   0.49989603  0.66905481  0.45302679

 

 position of ions in cartesian coordinates  (Angst):

   0.00000000  0.00000000  0.00000000

   1.59165800  2.25094400  0.00000000

   1.58946084  0.00166974  2.16502604

   3.18127664  2.25495527  2.18427497

   3.17993153  0.00196559  4.41180030

   1.58833837  2.24760663  4.43099037

   1.58695942  0.00227196  6.58441620

   3.17961302  2.26433935  6.72122580

   0.00000000  4.50188880  0.00000000

   1.59165800  6.75283240  0.00000000

   1.58926907  4.50349881  2.17604091

   3.18096859  6.75165220  2.18407790

   3.17976333  4.50451078  4.44574531

   1.58868021  6.76082500  4.43115618

   1.58782684  4.50422759  6.62833462

   3.17969095  6.74344070  6.72239191

   3.17734499  0.00434832  8.89573423

   1.58818268  2.98565735  9.05894287

   1.59132714  6.02402095  9.06053587

 





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





 k-point  1 :  0.00000.00000.0000  plane waves:    8183

 k-point  2 :  0.00000.03170.0000  plane waves:    8189

 k-point  3 :  0.00000.06350.0000  plane waves:    8189

 k-point  4 :  0.00000.09520.0000  plane waves:    8191

 k-point  5 :  0.00000.12700.0000  plane waves:    8177

 k-point  6 :  0.00000.15870.0000  plane waves:    8189

 k-point  7 :  0.00000.19050.0000  plane waves:    8181

 k-point  8 :  0.00000.22220.0000  plane waves:    8173

 k-point  9 :  0.00000.25400.0000  plane waves:    8163

 k-point 10 :  0.00000.28570.0000  plane waves:    8153

 k-point 11 :  0.00000.31750.0000  plane waves:    8141

 k-point 12 :  0.00000.34920.0000  plane waves:    8143

 k-point 13 :  0.00000.38100.0000  plane waves:    8155

 k-point 14 :  0.00000.41270.0000  plane waves:    8155

 k-point 15 :  0.00000.44440.0000  plane waves:    8157

 k-point 16 :  0.00000.47620.0000  plane waves:    8150

 k-point 17 :  0.00000.50790.0000  plane waves:    8156

 k-point 18 :  0.00000.53970.0000  plane waves:    8151

 k-point 19 :  0.00000.57140.0000  plane waves:    8155

 k-point 20 :  0.00000.60320.0000  plane waves:    8151

 k-point 21 :  0.00000.63490.0000  plane waves:    8155

 k-point 22 :  0.00000.66670.0000  plane waves:    8145

 k-point 23 :  0.00000.69840.0000  plane waves:    8151

 k-point 24 :  0.00000.73020.0000  plane waves:    8159

 k-point 25 :  0.00000.76190.0000  plane waves:    8169

 k-point 26 :  0.00000.79370.0000  plane waves:    8179

 k-point 27 :  0.00000.82540.0000  plane waves:    8181

 k-point 28 :  0.00000.85710.0000  plane waves:    8189

 k-point 29 :  0.00000.88890.0000  plane waves:    8169

 k-point 30 :  0.00000.92060.0000  plane waves:    8191

 k-point 31 :  0.00000.95240.0000  plane waves:    8195

 k-point 32 :  0.00000.98410.0000  plane waves:    8183

 k-point 33 :  0.00001.01590.0000  plane waves:    8183

 k-point 34 :  0.00001.04760.0000  plane waves:    8195

 k-point 35 :  0.00001.07940.0000  plane waves:    8191

 k-point 36 :  0.00001.11110.0000  plane waves:    8169

 k-point 37 :  0.00001.14290.0000  plane waves:    8189

 k-point 38 :  0.00001.17460.0000  plane waves:    8181

 k-point 39 :  0.00001.20630.0000  plane waves:    8179

 k-point 40 :  0.00001.23810.0000  plane waves:    8169

 k-point 41 :  0.00001.26980.0000  plane waves:    8159

 k-point 42 :  0.00001.30160.0000  plane waves:    8151

 k-point 43 :  0.00001.33330.0000  plane waves:    8145

 k-point 44 :  0.00001.36510.0000  plane waves:    8155

 k-point 45 :  0.00001.39680.0000  plane waves:    8151

 k-point 46 :  0.00001.42860.0000  plane waves:    8155

 k-point 47 :  0.00001.46030.0000  plane waves:    8151

 k-point 48 :  0.00001.49210.0000  plane waves:    8156

 k-point 49 :  0.00001.52380.0000  plane waves:    8150

 k-point 50 :  0.00001.55560.0000  plane waves:    8157

 k-point 51 :  0.00001.58730.0000  plane waves:    8155

 k-point 52 :  0.00001.61900.0000  plane waves:    8155

 k-point 53 :  0.00001.65080.0000  plane waves:    8143

 k-point 54 :  0.00001.68250.0000  plane waves:    8141

 k-point 55 :  0.00001.71430.0000  plane waves:    8153

 k-point 56 :  0.00001.74600.0000  plane waves:    8163

 k-point 57 :  0.00001.77780.0000  plane waves:    8173

 k-point 58 :  0.00001.80950.0000  plane waves:    8181

 k-point 59 :  0.00001.84130.0000  plane waves:    8189

 k-point 60 :  0.00001.87300.0000  plane waves:    8177

 k-point 61 :  0.00001.90480.0000  plane waves:    8191

 k-point 62 :  0.00001.93650.0000  plane waves:    8189

 k-point 63 :  0.00001.96830.0000  plane waves:    8189

 k-point 64 :  0.00002.00000.0000  plane waves:    8183



 maximum and minimum number of plane-waves per node :      1409     1332



 maximum number of plane-waves:      8195

 maximum index in each direction: 

   IXMAX=    4   IYMAX=   13   IZMAX=   30

   IXMIN=   -4   IYMIN=  -15   IZMIN=  -30



 NGX is ok and might be reduce to  18

 WARNING: aliasing errors must be expected set NGY to  58 to avoid them

 WARNING: aliasing errors must be expected set NGZ to 122 to avoid them

 aliasing errors are usually negligible using standard VASP settings

 and one can safely disregard these warnings



 real space projection operators:

  total allocation   :       9904.01 KBytes

  max/ min on nodes  :       1918.90       1494.33





 parallel 3D FFT for wavefunctions:

    minimum data exchange during FFTs selected (reduces bandwidth)

 parallel 3D FFT for charge:

    minimum data exchange during FFTs selected (reduces bandwidth)





 total amount of memory used by VASP on root node    62593. kBytes

========================================================================



   base      :      30000. kBytes

   nonlr-proj:       4015. kBytes

   fftplans  :       1637. kBytes

   grid      :       2500. kBytes

   one-center:         62. kBytes

   wavefun   :      24379. kBytes

 

 initial charge density was supplied:

 number of electron     207.0000058 magnetization 

 keeping initial charge density in first step





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





 Maximum index for non-local projection operator          894

 Maximum index for augmentation-charges          633 (set IRDMAX)





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





 First call to EWALD:  gamma=   0.213

 Maximum number of real-space cells 6x 3x 1

 Maximum number of reciprocal cells 1x 3x 6



    FEWALD:  cpu time    0.00: real time    0.00





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





    POTLOK:  cpu time    0.52: real time    0.52

    SETDIJ:  cpu time    0.02: real time    0.02

     EDDAV:  cpu time  104.11: real time  104.35

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time  104.70: real time  104.94



 eigenvalue-minimisations  : 19960

 total energy-change (2. order) : 0.1986528E+04  (-0.9172602E+04)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.00031453

  eigenvalues    EBANDS =      -938.69771564

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      1986.52821503 eV



  energy without entropy =     1986.52790050  energy(sigma->0) =     1986.52811019





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









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





     EDDAV:  cpu time   98.71: real time   98.92

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time   98.78: real time   98.99



 eigenvalue-minimisations  : 18512

 total energy-change (2. order) :-0.2051106E+04  (-0.1978645E+04)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =        -0.00929326

  eigenvalues    EBANDS =     -2989.79447658

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =       -64.57815369 eV



  energy without entropy =      -64.56886043  energy(sigma->0) =      -64.57505594





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









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





     EDDAV:  cpu time  111.09: real time  111.33

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time  111.16: real time  111.40



 eigenvalue-minimisations  : 21744

 total energy-change (2. order) :-0.1406670E+03  (-0.1320858E+03)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.03584748

  eigenvalues    EBANDS =     -3130.50662774

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -205.24516411 eV



  energy without entropy =     -205.28101159  energy(sigma->0) =     -205.25711327





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









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





     EDDAV:  cpu time  115.85: real time  116.09

       DOS:  cpu time    0.04: real time    0.04

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

      LOOP:  cpu time  115.91: real time  116.15



 eigenvalue-minimisations  : 23064

 total energy-change (2. order) :-0.8614020E+01  (-0.8383500E+01)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04123301

  eigenvalues    EBANDS =     -3139.12603366

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -213.85918451 eV



  energy without entropy =     -213.90041751  energy(sigma->0) =     -213.87292884





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









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





     EDDAV:  cpu time  135.24: real time  135.51

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time  135.30: real time  135.58



 eigenvalue-minimisations  : 28208

 total energy-change (2. order) :-0.6554429E+00  (-0.6526857E+00)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04254348

  eigenvalues    EBANDS =     -3139.78278700

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.51462737 eV



  energy without entropy =     -214.55717086  energy(sigma->0) =     -214.52880853





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









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





     EDDAV:  cpu time  126.83: real time  127.13

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time  126.89: real time  127.20



 eigenvalue-minimisations  : 25992

 total energy-change (2. order) :-0.4792112E-01  (-0.4782963E-01)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04273472

  eigenvalues    EBANDS =     -3139.83089936

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.56254849 eV



  energy without entropy =     -214.60528321  energy(sigma->0) =     -214.57679339





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









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





     EDDAV:  cpu time  136.71: real time  136.99

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time  136.77: real time  137.06



 eigenvalue-minimisations  : 28600

 total energy-change (2. order) :-0.6508687E-02  (-0.6498754E-02)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04276781

  eigenvalues    EBANDS =     -3139.83744113

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.56905717 eV



  energy without entropy =     -214.61182498  energy(sigma->0) =     -214.58331311





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









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





     EDDAV:  cpu time  118.68: real time  118.93

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time  118.75: real time  119.00



 eigenvalue-minimisations  : 23792

 total energy-change (2. order) :-0.9816639E-03  (-0.9797101E-03)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04278117

  eigenvalues    EBANDS =     -3139.83843615

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.57003884 eV



  energy without entropy =     -214.61282001  energy(sigma->0) =     -214.58429923





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









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





     EDDAV:  cpu time  115.97: real time  116.21

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time  116.03: real time  116.27



 eigenvalue-minimisations  : 23048

 total energy-change (2. order) :-0.1971999E-03  (-0.1968377E-03)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04278628

  eigenvalues    EBANDS =     -3139.83863847

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.57023604 eV



  energy without entropy =     -214.61302232  energy(sigma->0) =     -214.58449813





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









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





     EDDAV:  cpu time  103.88: real time  104.08

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time  103.94: real time  104.15



 eigenvalue-minimisations  : 19808

 total energy-change (2. order) :-0.4154338E-04  (-0.4145984E-04)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04278858

  eigenvalues    EBANDS =     -3139.83868231

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.57027758 eV



  energy without entropy =     -214.61306616  energy(sigma->0) =     -214.58454044





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









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





     EDDAV:  cpu time   98.01: real time   98.20

       DOS:  cpu time    0.04: real time    0.04

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

      LOOP:  cpu time   98.06: real time   98.26



 eigenvalue-minimisations  : 18248

 total energy-change (2. order) :-0.9838837E-05  (-0.9822754E-05)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04278958

  eigenvalues    EBANDS =     -3139.83869315

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.57028742 eV



  energy without entropy =     -214.61307700  energy(sigma->0) =     -214.58455061





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









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





     EDDAV:  cpu time   92.63: real time   92.84

       DOS:  cpu time    0.04: real time    0.04

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

      LOOP:  cpu time   92.69: real time   92.90



 eigenvalue-minimisations  : 16816

 total energy-change (2. order) :-0.2417302E-05  (-0.2413062E-05)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04279003

  eigenvalues    EBANDS =     -3139.83869601

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.57028984 eV



  energy without entropy =     -214.61307987  energy(sigma->0) =     -214.58455318





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









----------------------------------------- Iteration    1(  13)  ---------------------------------------





     EDDAV:  cpu time   88.59: real time   88.82

       DOS:  cpu time    0.05: real time    0.05

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

      LOOP:  cpu time   88.65: real time   88.88



 eigenvalue-minimisations  : 15728

 total energy-change (2. order) :-0.6165865E-06  (-0.6164888E-06)

 number of electron     207.0000058 magnetization 

 augmentation part      207.0000058 magnetization 



 Free energy of the ion-electron system (eV)

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

  alpha Z        PSCENC =       849.80588399

  Ewald energy   TEWEN  =     40364.47448498

  -1/2 Hartree   DENC   =    -59624.32215656

  -exchange  EXHF       =         0.00000000

  -V(xc)+E(xc)   XCENC  =       414.00847240

  PAW double counting   =     23098.17037616   -22811.07711795

  entropy T*S    EENTRO =         0.04279023

  eigenvalues    EBANDS =     -3139.83869683

  atomic energy  EATOM  =     20634.16567312

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

  free energy    TOTEN  =      -214.57029045 eV



  energy without entropy =     -214.61308069  energy(sigma->0) =     -214.58455386





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









 average (electrostatic) potential at core

  the test charge radii are     1.1823  1.1712

  (the norm of the test charge is              1.0000)

       1 -67.5756       2 -67.6091       3 -67.7522       4 -67.7332       5 -67.6866

       6 -67.6978       7 -67.5944       8 -67.7097       9 -67.5823      10 -67.6092

      11 -67.7334      12 -67.7336      13 -67.6499      14 -67.6975      15 -67.6144

      16 -67.7105      17 -88.2936      18 -88.3043      19 -88.3050

 

 

 

 E-fermi :   4.5587     XC(G=0):  -8.2436     alpha+bet :-10.0103





 k-point   1 :       0.0000    0.0000    0.0000

  band No.  band energies     occupation 

      1     -34.5543      2.00000

      2     -34.4725      2.00000

      3     -34.4090      2.00000

      4     -34.3149      2.00000

      5     -34.3093      2.00000

      6     -34.2444      2.00000

      7     -34.1787      2.00000

      8     -34.1682      2.00000

      9     -34.1343      2.00000

     10     -34.1300      2.00000

     11     -34.0993      2.00000

     12     -34.0891      2.00000

     13     -34.0173      2.00000

     14     -34.0093      2.00000

     15     -34.0014      2.00000

     16     -33.9566      2.00000

     17     -33.9553      2.00000

     18     -33.9221      2.00000

     19     -33.8711      2.00000

     20     -33.8521      2.00000

     21     -33.8186      2.00000

     22     -33.8164      2.00000

     23     -33.8081      2.00000

     24     -33.8009      2.00000

     25     -33.7755      2.00000

     26     -33.7506      2.00000

     27     -33.7245      2.00000

     28     -33.7060      2.00000

     29     -33.6916      2.00000

     30     -33.6904      2.00000

     31     -33.6550      2.00000

     32     -33.6465      2.00000

     33     -33.6048      2.00000

     34     -33.5887      2.00000

     35     -33.5861      2.00000

     36     -33.5568      2.00000

     37     -33.5034      2.00000

     38     -33.4758      2.00000

     39     -33.4370      2.00000

     40     -33.4252      2.00000

     41     -33.4204      2.00000

     42     -33.3907      2.00000

     43     -33.3810      2.00000

     44     -33.3722      2.00000

     45     -33.3532      2.00000

     46     -33.2927      2.00000

     47     -33.2817      2.00000

     48     -33.1527      2.00000

     49      -7.3653      2.00000

     50      -5.7322      2.00000

     51      -5.6570      2.00000

     52      -4.5434      2.00000

     53      -3.1028      2.00000

     54      -2.2285      2.00000

     55      -2.2085      2.00000

     56      -1.8843      2.00000

     57      -1.6441      2.00000

     58      -1.3898      2.00000

     59      -1.0174      2.00000

     60      -0.9804      2.00000

     61      -0.9785      2.00000

     62      -0.9335      2.00000

     63      -0.6491      2.00000

     64      -0.1035      2.00000

     65      -0.0808      2.00000

     66      -0.0796      2.00000

     67      -0.0534      2.00000

     68       0.0832      2.00000

     69       0.1108      2.00000

     70       0.9325      2.00000

     71       1.0639      2.00000

     72       1.1017      2.00000

     73       1.1982      2.00000

     74       1.2831      2.00000

     75       1.3853      2.00000

     76       1.5412      2.00000

     77       1.5519      2.00000

     78       1.6462      2.00000

     79       1.7007      2.00000

     80       2.0579      2.00000

     81       2.1011      2.00000

     82       2.3014      2.00000

     83       2.3825      2.00000

     84       2.5423      2.00000

     85       2.7026      2.00000

     86       2.7816      2.00000

     87       2.8120      2.00000

     88       2.9522      2.00000

     89       3.0482      2.00000

     90       3.1007      2.00000

     91       3.2567      2.00000

     92       3.3711      2.00000

     93       3.4727      2.00000

     94       3.4729      2.00000

     95       3.4932      2.00000

     96       3.4999      2.00000

     97       3.6607      2.00000

     98       3.6896      2.00000

     99       3.8011      2.00000

    100       3.8625      2.00001

    101       4.0240      2.00103

    102       4.2348      2.04434

    103       4.4045      1.96432

    104       4.4775      1.62816

    105       4.7384     -0.02232

    106       4.7577     -0.04920

    107       4.7760     -0.06388

    108       4.7800     -0.06589

    109       4.9492     -0.01858

    110       5.0227     -0.00497

    111       5.1154     -0.00060

    112       5.2250     -0.00003

    113       5.2515     -0.00001

    114       5.2577     -0.00001

    115       5.3774     -0.00000

    116       5.5066     -0.00000

    117       5.6682     -0.00000

    118       5.8705     -0.00000

    119       5.8758     -0.00000

    120       5.9976     -0.00000

    121       6.1147     -0.00000

    122       6.1397     -0.00000

    123       6.2089     -0.00000

    124       6.2724     -0.00000

    125       6.3129     -0.00000

    126       6.3640     -0.00000

    127       6.4384     -0.00000

    128       6.4696     -0.00000



 k-point   2 :       0.0000    0.0317    0.0000

  band No.  band energies     occupation 

      1     -34.5536      2.00000

      2     -34.4723      2.00000

      3     -34.4084      2.00000

      4     -34.3205      2.00000

      5     -34.3036      2.00000

      6     -34.2439      2.00000

      7     -34.1784      2.00000

      8     -34.1681      2.00000

      9     -34.1351      2.00000

     10     -34.1289      2.00000

     11     -34.1004      2.00000

     12     -34.0900      2.00000

     13     -34.0303      2.00000

     14     -34.0171      2.00000

     15     -33.9798      2.00000

     16     -33.9671      2.00000

     17     -33.9448      2.00000

     18     -33.9222      2.00000

     19     -33.8826      2.00000

     20     -33.8443      2.00000

     21     -33.8192      2.00000

     22     -33.8183      2.00000

     23     -33.8156      2.00000

     24     -33.7934      2.00000

     25     -33.7683      2.00000

     26     -33.7506      2.00000

     27     -33.7248      2.00000

     28     -33.7143      2.00000

     29     -33.6902      2.00000

     30     -33.6894      2.00000

     31     -33.6560      2.00000

     32     -33.6408      2.00000

     33     -33.6049      2.00000

     34     -33.5874      2.00000

     35     -33.5859      2.00000

     36     -33.5561      2.00000

     37     -33.5067      2.00000

     38     -33.4725      2.00000

     39     -33.4370      2.00000

     40     -33.4253      2.00000

     41     -33.4209      2.00000

     42     -33.3910      2.00000

     43     -33.3811      2.00000

     44     -33.3722      2.00000

     45     -33.3538      2.00000

     46     -33.2934      2.00000

     47     -33.2820      2.00000

     48     -33.1534      2.00000

     49      -7.3634      2.00000

     50      -5.7943      2.00000

     51      -5.5943      2.00000

     52      -4.5404      2.00000

     53      -3.0999      2.00000

     54      -2.3238      2.00000

     55      -2.1164      2.00000

     56      -1.8816      2.00000

     57      -1.6413      2.00000

     58      -1.3898      2.00000

     59      -1.0635      2.00000

     60      -1.0123      2.00000

     61      -0.9551      2.00000

     62      -0.8800      2.00000

     63      -0.6498      2.00000

     64      -0.1078      2.00000

     65      -0.0891      2.00000

     66      -0.0824      2.00000

     67      -0.0513      2.00000

     68       0.0562      2.00000

     69       0.1286      2.00000

     70       0.8990      2.00000

     71       1.0900      2.00000

     72       1.1046      2.00000

     73       1.1506      2.00000

     74       1.3190      2.00000

     75       1.3864      2.00000

     76       1.5132      2.00000

     77       1.5847      2.00000

     78       1.6674      2.00000

     79       1.7034      2.00000

     80       2.0191      2.00000

     81       2.1456      2.00000

     82       2.2768      2.00000

     83       2.4071      2.00000

     84       2.5452      2.00000

     85       2.6925      2.00000

     86       2.7973      2.00000

     87       2.8130      2.00000

     88       2.9524      2.00000

     89       3.0508      2.00000

     90       3.1035      2.00000

     91       3.2564      2.00000

     92       3.3699      2.00000

     93       3.4650      2.00000

     94       3.4765      2.00000

     95       3.4954      2.00000

     96       3.4993      2.00000

     97       3.6574      2.00000

     98       3.6798      2.00000

     99       3.6812      2.00000

    100       3.9891      2.00043

    101       4.0309      2.00122

    102       4.2349      2.04440

    103       4.4173      1.92435

    104       4.4480      1.79595

    105       4.7197      0.01730

    106       4.7582     -0.04981

    107       4.7985     -0.07071

    108       4.8152     -0.06996

    109       4.9474     -0.01911

    110       5.0219     -0.00506

    111       5.1048     -0.00078

    112       5.1311     -0.00040

    113       5.2495     -0.00001

    114       5.3653     -0.00000

    115       5.3786     -0.00000

    116       5.5087     -0.00000

    117       5.6722     -0.00000

    118       5.7212     -0.00000

    119       5.9890     -0.00000

    120       6.0290     -0.00000

    121       6.0774     -0.00000

    122       6.1305     -0.00000

    123       6.1366     -0.00000

    124       6.2834     -0.00000

    125       6.3179     -0.00000

    126       6.3739     -0.00000

    127       6.4403     -0.00000

    128       6.4756     -0.00000



 k-point   3 :       0.0000    0.0635    0.0000

  band No.  band energies     occupation 

      1     -34.5516      2.00000

      2     -34.4718      2.00000

      3     -34.4067      2.00000

      4     -34.3282      2.00000

      5     -34.2959      2.00000

      6     -34.2425      2.00000

      7     -34.1776      2.00000

      8     -34.1678      2.00000

      9     -34.1364      2.00000

     10     -34.1264      2.00000

     11     -34.1042      2.00000

     12     -34.0928      2.00000

     13     -34.0530      2.00000

     14     -34.0164      2.00000

     15     -33.9780      2.00000

     16     -33.9547      2.00000

     17     -33.9337      2.00000

     18     -33.9226      2.00000

     19     -33.8997      2.00000

     20     -33.8496      2.00000

     21     -33.8258      2.00000

     22     -33.8176      2.00000

     23     -33.8092      2.00000

     24     -33.7833      2.00000

     25     -33.7541      2.00000

     26     -33.7506      2.00000

     27     -33.7309      2.00000

     28     -33.7256      2.00000

     29     -33.6895      2.00000

     30     -33.6862      2.00000

     31     -33.6591      2.00000

     32     -33.6289      2.00000

     33     -33.6049      2.00000

     34     -33.5855      2.00000

     35     -33.5828      2.00000

     36     -33.5542      2.00000

     37     -33.5138      2.00000

     38     -33.4652      2.00000

     39     -33.4371      2.00000

     40     -33.4258      2.00000

     41     -33.4221      2.00000

     42     -33.3917      2.00000

     43     -33.3811      2.00000

     44     -33.3721      2.00000

     45     -33.3558      2.00000

     46     -33.2953      2.00000

     47     -33.2828      2.00000

     48     -33.1554      2.00000

     49      -7.3579      2.00000

     50      -5.8821      2.00000

     51      -5.5046      2.00000

     52      -4.5316      2.00000

     53      -3.0915      2.00000

     54      -2.4307      2.00000

     55      -2.0188      2.00000

     56      -1.8732      2.00000

     57      -1.6329      2.00000

     58      -1.3898      2.00000

     59      -1.1534      2.00000

     60      -1.0082      2.00000

     61      -0.9503      2.00000

     62      -0.8021      2.00000

     63      -0.6521      2.00000

     64      -0.1338      2.00000

     65      -0.0921      2.00000

     66      -0.0907      2.00000

     67      -0.0533      2.00000

     68       0.0123      2.00000

     69       0.1452      2.00000

     70       0.8379      2.00000

     71       1.0394      2.00000

     72       1.1133      2.00000

     73       1.1740      2.00000

     74       1.3577      2.00000

     75       1.3896      2.00000

     76       1.4791      2.00000

     77       1.6286      2.00000

     78       1.7118      2.00000

     79       1.7268      2.00000

     80       1.9718      2.00000

     81       2.2109      2.00000

     82       2.2326      2.00000

     83       2.4513      2.00000

     84       2.5540      2.00000

     85       2.6753      2.00000

     86       2.8160      2.00000

     87       2.8314      2.00000

     88       2.9530      2.00000

     89       3.0586      2.00000

     90       3.1118      2.00000

     91       3.2555      2.00000

     92       3.3659      2.00000

     93       3.4378      2.00000

     94       3.4769      2.00000

     95       3.4885      2.00000

     96       3.5170      2.00000

     97       3.5428      2.00000

     98       3.6546      2.00000

     99       3.6588      2.00000

    100       4.0483      2.00183

    101       4.1421      2.01213

    102       4.2397      2.04659

    103       4.3872      2.00667

    104       4.4517      1.77706

    105       4.7030      0.06566

    106       4.7383     -0.02223

    107       4.8471     -0.06025

    108       4.8841     -0.04364

    109       4.9434     -0.02032

    110       4.9943     -0.00863

    111       5.0341     -0.00394

    112       5.1244     -0.00047

    113       5.2442     -0.00001

    114       5.3813     -0.00000

    115       5.4868     -0.00000

    116       5.5156     -0.00000

    117       5.5747     -0.00000

    118       5.6826     -0.00000

    119       5.9635     -0.00000

    120       6.0748     -0.00000

    121       6.0978     -0.00000

    122       6.1346     -0.00000

    123       6.1850     -0.00000

    124       6.2486     -0.00000

    125       6.2795     -0.00000

    126       6.4050     -0.00000

    127       6.4227     -0.00000

    128       6.4648     -0.00000



 k-point   4 :       0.0000    0.0952    0.0000

  band No.  band energies     occupation 

      1     -34.5483      2.00000

      2     -34.4708      2.00000

      3     -34.4038      2.00000

      4     -34.3360      2.00000

      5     -34.2881      2.00000

      6     -34.2403      2.00000

      7     -34.1763      2.00000

      8     -34.1672      2.00000

      9     -34.1380      2.00000

     10     -34.1231      2.00000

     11     -34.1133      2.00000

     12     -34.0969      2.00000

     13     -34.0716      2.00000

     14     -34.0154      2.00000

     15     -33.9887      2.00000

     16     -33.9301      2.00000

     17     -33.9234      2.00000

     18     -33.9226      2.00000

     19     -33.9157      2.00000

     20     -33.8654      2.00000

     21     -33.8361      2.00000

     22     -33.8165      2.00000

     23     -33.7893      2.00000

     24     -33.7732      2.00000

     25     -33.7525      2.00000

     26     -33.7503      2.00000

     27     -33.7368      2.00000

     28     -33.7269      2.00000

     29     -33.6883      2.00000

     30     -33.6817      2.00000

     31     -33.6638      2.00000

     32     -33.6177      2.00000

     33     -33.6050      2.00000

     34     -33.5854      2.00000

     35     -33.5736      2.00000

     36     -33.5511      2.00000

     37     -33.5223      2.00000

     38     -33.4564      2.00000

     39     -33.4373      2.00000

     40     -33.4278      2.00000

     41     -33.4229      2.00000

     42     -33.3928      2.00000

     43     -33.3812      2.00000

     44     -33.3720      2.00000

     45     -33.3590      2.00000

     46     -33.2984      2.00000

     47     -33.2841      2.00000

     48     -33.1586      2.00000

     49      -7.3487      2.00000

     50      -5.9709      2.00000

     51      -5.4129      2.00000

     52      -4.5168      2.00000

     53      -3.0775      2.00000

     54      -2.5396      2.00000

     55      -1.9259      2.00000

     56      -1.8593      2.00000

     57      -1.6189      2.00000

     58      -1.3905      2.00000

     59      -1.2463      2.00000

     60      -1.0007      2.00000

     61      -0.9445      2.00000

     62      -0.7276      2.00000

     63      -0.6562      2.00000

     64      -0.1765      2.00000

     65      -0.1064      2.00000

     66      -0.0864      2.00000

     67      -0.0660      2.00000

     68      -0.0355      2.00000

     69       0.1500      2.00000

     70       0.7734      2.00000

     71       0.9512      2.00000

     72       1.1279      2.00000

     73       1.2331      2.00000

     74       1.3827      2.00000

     75       1.3949      2.00000

     76       1.4523      2.00000

     77       1.6676      2.00000

     78       1.7258      2.00000

     79       1.8085      2.00000

     80       1.9363      2.00000

     81       2.1849      2.00000

     82       2.2811      2.00000

     83       2.4980      2.00000

     84       2.5693      2.00000

     85       2.6632      2.00000

     86       2.8209      2.00000

     87       2.8721      2.00000

     88       2.9544      2.00000

     89       3.0719      2.00000

     90       3.1254      2.00000

     91       3.2537      2.00000

     92       3.3494      2.00000

     93       3.3592      2.00000

     94       3.4365      2.00000

     95       3.4725      2.00000

     96       3.5091      2.00000

     97       3.5454      2.00000

     98       3.6285      2.00000

     99       3.6459      2.00000

    100       4.0695      2.00294

    101       4.2559      2.05407

    102       4.2794      2.06383

    103       4.3393      2.06498

    104       4.4997      1.47593

    105       4.6940      0.09697

    106       4.7081      0.04954

    107       4.8509     -0.05870

    108       4.8954     -0.03854

    109       4.9491     -0.01862

    110       4.9894     -0.00943

    111       5.0409     -0.00342

    112       5.1397     -0.00031

    113       5.2375     -0.00002

    114       5.3842     -0.00000

    115       5.4317     -0.00000

    116       5.5280     -0.00000

    117       5.6093     -0.00000

    118       5.6967     -0.00000

    119       5.9209     -0.00000

    120       6.0433     -0.00000

    121       6.0613     -0.00000

    122       6.1504     -0.00000

    123       6.1894     -0.00000

    124       6.3368     -0.00000

    125       6.3515     -0.00000

    126       6.4018     -0.00000

    127       6.4538     -0.00000

    128       6.4965     -0.00000



 k-point   5 :       0.0000    0.1270    0.0000

  band No.  band energies     occupation 

      1     -34.5437      2.00000

      2     -34.4695      2.00000

      3     -34.3998      2.00000

      4     -34.3437      2.00000

      5     -34.2804      2.00000

      6     -34.2372      2.00000

      7     -34.1745      2.00000

      8     -34.1664      2.00000

      9     -34.1398      2.00000

     10     -34.1300      2.00000

     11     -34.1186      2.00000

     12     -34.1015      2.00000

     13     -34.0848      2.00000

     14     -34.0145      2.00000

     15     -33.9988      2.00000

     16     -33.9316      2.00000

     17     -33.9234      2.00000

     18     -33.9116      2.00000

     19     -33.9067      2.00000

     20     -33.8818      2.00000

     21     -33.8464      2.00000

     22     -33.8148      2.00000

     23     -33.7724      2.00000

     24     -33.7673      2.00000

     25     -33.7633      2.00000

     26     -33.7505      2.00000

     27     -33.7287      2.00000

     28     -33.7234      2.00000

     29     -33.6866      2.00000

     30     -33.6748      2.00000

     31     -33.6695      2.00000

     32     -33.6099      2.00000

     33     -33.6049      2.00000

     34     -33.5859      2.00000

     35     -33.5591      2.00000

     36     -33.5471      2.00000

     37     -33.5307      2.00000

     38     -33.4472      2.00000

     39     -33.4376      2.00000

     40     -33.4317      2.00000

     41     -33.4228      2.00000

     42     -33.3944      2.00000

     43     -33.3814      2.00000

     44     -33.3718      2.00000

     45     -33.3634      2.00000

     46     -33.3027      2.00000

     47     -33.2859      2.00000

     48     -33.1632      2.00000

     49      -7.3358      2.00000

     50      -6.0587      2.00000

     51      -5.3214      2.00000

     52      -4.4963      2.00000

     53      -3.0579      2.00000

     54      -2.6496      2.00000

     55      -1.8439      2.00000

     56      -1.8342      2.00000

     57      -1.5993      2.00000

     58      -1.3972      2.00000

     59      -1.3356      2.00000

     60      -0.9903      2.00000

     61      -0.9371      2.00000

     62      -0.6643      2.00000

     63      -0.6572      2.00000

     64      -0.2292      2.00000

     65      -0.1280      2.00000

     66      -0.1023      2.00000

     67      -0.0823      2.00000

     68      -0.0674      2.00000

     69       0.1419      2.00000

     70       0.7107      2.00000

     71       0.8705      2.00000

     72       1.1484      2.00000

     73       1.2705      2.00000

     74       1.3873      2.00000

     75       1.4024      2.00000

     76       1.4632      2.00000

     77       1.7014      2.00000

     78       1.7452      2.00000

     79       1.8569      2.00000

     80       1.9494      2.00000

     81       2.1369      2.00000

     82       2.3550      2.00000

     83       2.5425      2.00000

     84       2.5926      2.00000

     85       2.6615      2.00000

     86       2.8279      2.00000

     87       2.9138      2.00000

     88       2.9585      2.00000

     89       3.0913      2.00000

     90       3.1428      2.00000

     91       3.2162      2.00000

     92       3.2506      2.00000

     93       3.3499      2.00000

     94       3.3935      2.00000

     95       3.4332      2.00000

     96       3.5373      2.00000

     97       3.5748      2.00000

     98       3.6059      2.00000

     99       3.6344      2.00000

    100       4.0906      2.00459

    101       4.2546      2.05349

    102       4.2860      2.06604

    103       4.4570      1.74940

    104       4.5513      1.06217

    105       4.6608      0.24844

    106       4.7061      0.05551

    107       4.7448     -0.03270

    108       4.9033     -0.03511

    109       5.0028     -0.00735

    110       5.0055     -0.00699

    111       5.0708     -0.00176

    112       5.1921     -0.00007

    113       5.2317     -0.00002

    114       5.3002     -0.00000

    115       5.3867     -0.00000

    116       5.5446     -0.00000

    117       5.7112     -0.00000

    118       5.7287     -0.00000

    119       5.8637     -0.00000

    120       6.0164     -0.00000

    121       6.1082     -0.00000

    122       6.1245     -0.00000

    123       6.1987     -0.00000

    124       6.2051     -0.00000

    125       6.3273     -0.00000

    126       6.4235     -0.00000

    127       6.4611     -0.00000

    128       6.5021     -0.00000



 k-point   6 :       0.0000    0.1587    0.0000

  band No.  band energies     occupation 

      1     -34.5378      2.00000

      2     -34.4678      2.00000

      3     -34.3947      2.00000

      4     -34.3514      2.00000

      5     -34.2727      2.00000

      6     -34.2334      2.00000

      7     -34.1721      2.00000

      8     -34.1656      2.00000

      9     -34.1526      2.00000

     10     -34.1404      2.00000

     11     -34.1140      2.00000

     12     -34.1070      2.00000

     13     -34.0942      2.00000

     14     -34.0158      2.00000

     15     -34.0060      2.00000

     16     -33.9443      2.00000

     17     -33.9247      2.00000

     18     -33.9039      2.00000

     19     -33.9007      2.00000

     20     -33.8786      2.00000

     21     -33.8566      2.00000

     22     -33.8128      2.00000

     23     -33.7934      2.00000

     24     -33.7538      2.00000

     25     -33.7505      2.00000

     26     -33.7448      2.00000

     27     -33.7309      2.00000

     28     -33.7120      2.00000

     29     -33.6845      2.00000

     30     -33.6758      2.00000

     31     -33.6648      2.00000

     32     -33.6067      2.00000

     33     -33.6025      2.00000

     34     -33.5872      2.00000

     35     -33.5457      2.00000

     36     -33.5413      2.00000

     37     -33.5355      2.00000

     38     -33.4389      2.00000

     39     -33.4378      2.00000

     40     -33.4361      2.00000

     41     -33.4222      2.00000

     42     -33.3964      2.00000

     43     -33.3817      2.00000

     44     -33.3716      2.00000

     45     -33.3692      2.00000

     46     -33.3082      2.00000

     47     -33.2882      2.00000

     48     -33.1691      2.00000

     49      -7.3192      2.00000

     50      -6.1449      2.00000

     51      -5.2312      2.00000

     52      -4.4699      2.00000

     53      -3.0328      2.00000

     54      -2.7601      2.00000

     55      -1.8164      2.00000

     56      -1.7554      2.00000

     57      -1.5743      2.00000

     58      -1.4541      2.00000

     59      -1.3763      2.00000

     60      -0.9775      2.00000

     61      -0.9285      2.00000

     62      -0.6731      2.00000

     63      -0.5960      2.00000

     64      -0.2887      2.00000

     65      -0.1719      2.00000

     66      -0.1396      2.00000

     67      -0.1020      2.00000

     68      -0.0639      2.00000

     69       0.1206      2.00000

     70       0.6512      2.00000

     71       0.8022      2.00000

     72       1.1747      2.00000

     73       1.2656      2.00000

     74       1.3895      2.00000

     75       1.4119      2.00000

     76       1.5135      2.00000

     77       1.7330      2.00000

     78       1.7702      2.00000

     79       1.8455      2.00000

     80       2.0230      2.00000

     81       2.0893      2.00000

     82       2.4318      2.00000

     83       2.5813      2.00000

     84       2.6260      2.00000

     85       2.6738      2.00000

     86       2.8369      2.00000

     87       2.9400      2.00000

     88       2.9800      2.00000

     89       3.0725      2.00000

     90       3.1175      2.00000

     91       3.1729      2.00000

     92       3.2455      2.00000

     93       3.3367      2.00000

     94       3.3392      2.00000

     95       3.3960      2.00000

     96       3.5430      2.00000

     97       3.5841      2.00000

     98       3.6203      2.00000

     99       3.6443      2.00000

    100       4.1124      2.00706

    101       4.2036      2.03079

    102       4.3261      2.06963

    103       4.5643      0.95232

    104       4.5957      0.69249

    105       4.6468      0.32840

    106       4.6520      0.29741

    107       4.7235      0.00797

    108       4.8927     -0.03975

    109       5.0032     -0.00730

    110       5.0804     -0.00141

    111       5.0812     -0.00138

    112       5.1701     -0.00014

    113       5.2287     -0.00002

    114       5.2955     -0.00000

    115       5.3891     -0.00000

    116       5.5623     -0.00000

    117       5.7225     -0.00000

    118       5.7943     -0.00000

    119       5.8486     -0.00000

    120       5.9759     -0.00000

    121       6.0395     -0.00000

    122       6.0768     -0.00000

    123       6.1332     -0.00000

    124       6.2556     -0.00000

    125       6.2829     -0.00000

    126       6.3220     -0.00000

    127       6.4141     -0.00000

    128       6.5111     -0.00000



 k-point   7 :       0.0000    0.1905    0.0000

  band No.  band energies     occupation 

      1     -34.5306      2.00000

      2     -34.4658      2.00000

      3     -34.3884      2.00000

      4     -34.3589      2.00000

      5     -34.2651      2.00000

      6     -34.2289      2.00000

      7     -34.1764      2.00000

      8     -34.1693      2.00000

      9     -34.1640      2.00000

     10     -34.1422      2.00000

     11     -34.1169      2.00000

     12     -34.1066      2.00000

     13     -34.1013      2.00000

     14     -34.0235      2.00000

     15     -34.0061      2.00000

     16     -33.9562      2.00000

     17     -33.9261      2.00000

     18     -33.9184      2.00000

     19     -33.8900      2.00000

     20     -33.8666      2.00000

     21     -33.8577      2.00000

     22     -33.8144      2.00000

     23     -33.8102      2.00000

     24     -33.7505      2.00000

     25     -33.7455      2.00000

     26     -33.7329      2.00000

     27     -33.7226      2.00000

     28     -33.7027      2.00000

     29     -33.6830      2.00000

     30     -33.6813      2.00000

     31     -33.6526      2.00000

     32     -33.6067      2.00000

     33     -33.5970      2.00000

     34     -33.5893      2.00000

     35     -33.5522      2.00000

     36     -33.5316      2.00000

     37     -33.5221      2.00000

     38     -33.4447      2.00000

     39     -33.4376      2.00000

     40     -33.4286      2.00000

     41     -33.4212      2.00000

     42     -33.3987      2.00000

     43     -33.3821      2.00000

     44     -33.3761      2.00000

     45     -33.3712      2.00000

     46     -33.3148      2.00000

     47     -33.2911      2.00000

     48     -33.1761      2.00000

     49      -7.2990      2.00000

     50      -6.2292      2.00000

     51      -5.1432      2.00000

     52      -4.4378      2.00000

     53      -3.0023      2.00000

     54      -2.8706      2.00000

     55      -1.7867      2.00000

     56      -1.6805      2.00000

     57      -1.5483      2.00000

     58      -1.5438      2.00000

     59      -1.3807      2.00000

     60      -0.9635      2.00000

     61      -0.9193      2.00000

     62      -0.6858      2.00000

     63      -0.5424      2.00000

     64      -0.3513      2.00000

     65      -0.2365      2.00000

     66      -0.1635      2.00000

     67      -0.1313      2.00000

     68      -0.0512      2.00000

     69       0.0872      2.00000

     70       0.5965      2.00000

     71       0.7468      2.00000

     72       1.2069      2.00000

     73       1.2305      2.00000

     74       1.4027      2.00000

     75       1.4236      2.00000

     76       1.5745      2.00000

     77       1.7648      2.00000

     78       1.8006      2.00000

     79       1.8326      2.00000

     80       2.0424      2.00000

     81       2.0911      2.00000

     82       2.5108      2.00000

     83       2.6160      2.00000

     84       2.6664      2.00000

     85       2.7024      2.00000

     86       2.8478      2.00000

     87       2.9388      2.00000

     88       2.9447      2.00000

     89       3.0231      2.00000

     90       3.1515      2.00000

     91       3.2017      2.00000

     92       3.2383      2.00000

     93       3.2643      2.00000

     94       3.3287      2.00000

     95       3.3606      2.00000

     96       3.5105      2.00000

     97       3.6040      2.00000

     98       3.6291      2.00000

     99       3.7047      2.00000

    100       4.1371      2.01111

    101       4.1523      2.01441

    102       4.3691      2.03764

    103       4.5109      1.39209

    104       4.5450      1.11509

    105       4.7023      0.06793

    106       4.7390     -0.02339

    107       4.7536     -0.04457

    108       4.8802     -0.04544

    109       4.9956     -0.00842

    110       5.0295     -0.00433

    111       5.1142     -0.00061

    112       5.1639     -0.00016

    113       5.2305     -0.00002

    114       5.3905     -0.00000

    115       5.4015     -0.00000

    116       5.5760     -0.00000

    117       5.7160     -0.00000

    118       5.7317     -0.00000

    119       5.9244     -0.00000

    120       5.9708     -0.00000

    121       5.9836     -0.00000

    122       6.1062     -0.00000

    123       6.1418     -0.00000

    124       6.2028     -0.00000

    125       6.2263     -0.00000

    126       6.3359     -0.00000

    127       6.3589     -0.00000

    128       6.4518     -0.00000



 k-point   8 :       0.0000    0.2222    0.0000

  band No.  band energies     occupation 

      1     -34.5221      2.00000

      2     -34.4634      2.00000

      3     -34.3811      2.00000

      4     -34.3664      2.00000

      5     -34.2577      2.00000

      6     -34.2243      2.00000

      7     -34.1998      2.00000

      8     -34.1659      2.00000

      9     -34.1630      2.00000

     10     -34.1438      2.00000

     11     -34.1282      2.00000

     12     -34.1067      2.00000

     13     -34.0999      2.00000

     14     -34.0332      2.00000

     15     -34.0036      2.00000

     16     -33.9684      2.00000

     17     -33.9323      2.00000

     18     -33.9266      2.00000

     19     -33.8805      2.00000

     20     -33.8754      2.00000

     21     -33.8393      2.00000

     22     -33.8333      2.00000

     23     -33.8073      2.00000

     24     -33.7504      2.00000

     25     -33.7418      2.00000

     26     -33.7317      2.00000

     27     -33.7024      2.00000

     28     -33.6923      2.00000

     29     -33.6887      2.00000

     30     -33.6788      2.00000

     31     -33.6400      2.00000

     32     -33.6072      2.00000

     33     -33.5921      2.00000

     34     -33.5898      2.00000

     35     -33.5609      2.00000

     36     -33.5251      2.00000

     37     -33.5027      2.00000

     38     -33.4526      2.00000

     39     -33.4383      2.00000

     40     -33.4201      2.00000

     41     -33.4191      2.00000

     42     -33.4011      2.00000

     43     -33.3844      2.00000

     44     -33.3824      2.00000

     45     -33.3707      2.00000

     46     -33.3224      2.00000

     47     -33.2944      2.00000

     48     -33.1845      2.00000

     49      -7.2752      2.00000

     50      -6.3113      2.00000

     51      -5.0583      2.00000

     52      -4.4000      2.00000

     53      -2.9804      2.00000

     54      -2.9663      2.00000

     55      -1.7521      2.00000

     56      -1.6463      2.00000

     57      -1.6128      2.00000

     58      -1.5082      2.00000

     59      -1.3821      2.00000

     60      -0.9511      2.00000

     61      -0.9089      2.00000

     62      -0.7004      2.00000

     63      -0.5041      2.00000

     64      -0.4083      2.00000

     65      -0.3073      2.00000

     66      -0.1869      2.00000

     67      -0.1606      2.00000

     68      -0.0357      2.00000

     69       0.0437      2.00000

     70       0.5472      2.00000

     71       0.7032      2.00000

     72       1.1842      2.00000

     73       1.2447      2.00000

     74       1.4198      2.00000

     75       1.4374      2.00000

     76       1.6267      2.00000

     77       1.7895      2.00000

     78       1.8363      2.00000

     79       1.8437      2.00000

     80       1.9968      2.00000

     81       2.1388      2.00000

     82       2.5911      2.00000

     83       2.6509      2.00000

     84       2.7019      2.00000

     85       2.7455      2.00000

     86       2.8160      2.00000

     87       2.8609      2.00000

     88       2.9441      2.00000

     89       3.0692      2.00000

     90       3.1807      2.00000

     91       3.1888      2.00000

     92       3.2350      2.00000

     93       3.2367      2.00000

     94       3.3203      2.00000

     95       3.3263      2.00000

     96       3.4767      2.00000

     97       3.5857      2.00000

     98       3.6840      2.00000

     99       3.7752      2.00000

    100       4.0948      2.00500

    101       4.1660      2.01798

    102       4.3887      2.00340

    103       4.4636      1.71263

    104       4.4660      1.69866

    105       4.7562     -0.04760

    106       4.7964     -0.07049

    107       4.8532     -0.05769

    108       4.8719     -0.04926

    109       4.9305     -0.02453

    110       4.9881     -0.00965

    111       5.1172     -0.00057

    112       5.2277     -0.00002

    113       5.2499     -0.00001

    114       5.3866     -0.00000

    115       5.5154     -0.00000

    116       5.5818     -0.00000

    117       5.6404     -0.00000

    118       5.7410     -0.00000

    119       5.8454     -0.00000

    120       5.9682     -0.00000

    121       6.0365     -0.00000

    122       6.0845     -0.00000

    123       6.0982     -0.00000

    124       6.1115     -0.00000

    125       6.1600     -0.00000

    126       6.1907     -0.00000

    127       6.3225     -0.00000

    128       6.3620     -0.00000



 k-point   9 :       0.0000    0.2540    0.0000

  band No.  band energies     occupation 

      1     -34.5124      2.00000

      2     -34.4606      2.00000

      3     -34.3739      2.00000

      4     -34.3724      2.00000

      5     -34.2508      2.00000

      6     -34.2278      2.00000

      7     -34.2148      2.00000

      8     -34.1624      2.00000

      9     -34.1616      2.00000

     10     -34.1462      2.00000

     11     -34.1405      2.00000

     12     -34.1113      2.00000

     13     -34.0919      2.00000

     14     -34.0431      2.00000

     15     -34.0001      2.00000

     16     -33.9820      2.00000

     17     -33.9412      2.00000

     18     -33.9285      2.00000

     19     -33.8867      2.00000

     20     -33.8683      2.00000

     21     -33.8565      2.00000

     22     -33.8182      2.00000

     23     -33.8039      2.00000

     24     -33.7505      2.00000

     25     -33.7441      2.00000

     26     -33.7267      2.00000

     27     -33.6936      2.00000

     28     -33.6902      2.00000

     29     -33.6753      2.00000

     30     -33.6742      2.00000

     31     -33.6288      2.00000

     32     -33.6079      2.00000

     33     -33.5954      2.00000

     34     -33.5799      2.00000

     35     -33.5698      2.00000

     36     -33.5179      2.00000

     37     -33.4842      2.00000

     38     -33.4617      2.00000

     39     -33.4391      2.00000

     40     -33.4171      2.00000

     41     -33.4125      2.00000

     42     -33.4022      2.00000

     43     -33.3935      2.00000

     44     -33.3834      2.00000

     45     -33.3700      2.00000

     46     -33.3308      2.00000

     47     -33.2982      2.00000

     48     -33.1939      2.00000

     49      -7.2477      2.00000

     50      -6.3910      2.00000

     51      -4.9776      2.00000

     52      -4.3567      2.00000

     53      -3.0889      2.00000

     54      -2.9253      2.00000

     55      -1.7445      2.00000

     56      -1.7128      2.00000

     57      -1.5540      2.00000

     58      -1.4674      2.00000

     59      -1.3829      2.00000

     60      -0.9462      2.00000

     61      -0.8948      2.00000

     62      -0.7149      2.00000

     63      -0.5149      2.00000

     64      -0.4232      2.00000

     65      -0.3817      2.00000

     66      -0.2176      2.00000

     67      -0.1797      2.00000

     68      -0.0191      2.00000

     69      -0.0062      2.00000

     70       0.5026      2.00000

     71       0.6701      2.00000

     72       1.1341      2.00000

     73       1.2882      2.00000

     74       1.4383      2.00000

     75       1.4534      2.00000

     76       1.6601      2.00000

     77       1.7941      2.00000

     78       1.8767      2.00000

     79       1.8983      2.00000

     80       1.9530      2.00000

     81       2.1657      2.00000

     82       2.6539      2.00000

     83       2.6715      2.00000

     84       2.6885      2.00000

     85       2.7798      2.00000

     86       2.7959      2.00000

     87       2.8759      2.00000

     88       2.9422      2.00000

     89       3.0904      2.00000

     90       3.1129      2.00000

     91       3.1947      2.00000

     92       3.2687      2.00000

     93       3.2734      2.00000

     94       3.2952      2.00000

     95       3.3180      2.00000

     96       3.4457      2.00000

     97       3.5658      2.00000

     98       3.7463      2.00000

     99       3.8537      2.00001

    100       4.0276      2.00112

    101       4.1983      2.02871

    102       4.3284      2.06909

    103       4.3977      1.98264

    104       4.4875      1.56241

    105       4.7975     -0.07061

    106       4.8360     -0.06450

    107       4.8401     -0.06301

    108       4.8852     -0.04313

    109       4.9369     -0.02236

    110       4.9914     -0.00910

    111       5.1295     -0.00041

    112       5.2459     -0.00001

    113       5.2965     -0.00000

    114       5.3697     -0.00000

    115       5.5384     -0.00000

    116       5.6258     -0.00000

    117       5.6375     -0.00000

    118       5.7354     -0.00000

    119       5.7877     -0.00000

    120       5.9763     -0.00000

    121       6.0650     -0.00000

    122       6.0841     -0.00000

    123       6.0957     -0.00000

    124       6.1417     -0.00000

    125       6.2307     -0.00000

    126       6.2337     -0.00000

    127       6.2651     -0.00000

    128       6.4147     -0.00000



 k-point  10 :       0.0000    0.2857    0.0000

  band No.  band energies     occupation 

      1     -34.5015      2.00000

      2     -34.4576      2.00000

      3     -34.3807      2.00000

      4     -34.3631      2.00000

      5     -34.2524      2.00000

      6     -34.2414      2.00000

      7     -34.2112      2.00000

      8     -34.1613      2.00000

      9     -34.1580      2.00000

     10     -34.1574      2.00000

     11     -34.1438      2.00000

     12     -34.1157      2.00000

     13     -34.0829      2.00000

     14     -34.0529      2.00000

     15     -33.9972      2.00000

     16     -33.9961      2.00000

     17     -33.9466      2.00000

     18     -33.9303      2.00000

     19     -33.8960      2.00000

     20     -33.8767      2.00000

     21     -33.8583      2.00000

     22     -33.8023      2.00000

     23     -33.8001      2.00000

     24     -33.7505      2.00000

     25     -33.7482      2.00000

     26     -33.7240      2.00000

     27     -33.6953      2.00000

     28     -33.6805      2.00000

     29     -33.6713      2.00000

     30     -33.6534      2.00000

     31     -33.6196      2.00000

     32     -33.6086      2.00000

     33     -33.5993      2.00000

     34     -33.5786      2.00000

     35     -33.5670      2.00000

     36     -33.5106      2.00000

     37     -33.4726      2.00000

     38     -33.4670      2.00000

     39     -33.4402      2.00000

     40     -33.4129      2.00000

     41     -33.4116      2.00000

     42     -33.4036      2.00000

     43     -33.3975      2.00000

     44     -33.3846      2.00000

     45     -33.3688      2.00000

     46     -33.3399      2.00000

     47     -33.3025      2.00000

     48     -33.2046      2.00000

     49      -7.2167      2.00000

     50      -6.4683      2.00000

     51      -4.9021      2.00000

     52      -4.3079      2.00000

     53      -3.1959      2.00000

     54      -2.8790      2.00000

     55      -1.8419      2.00000

     56      -1.6697      2.00000

     57      -1.5052      2.00000

     58      -1.4218      2.00000

     59      -1.3822      2.00000

     60      -0.9532      2.00000

     61      -0.8758      2.00000

     62      -0.7297      2.00000

     63      -0.5627      2.00000

     64      -0.4588      2.00000

     65      -0.4030      2.00000

     66      -0.2533      2.00000

     67      -0.1872      2.00000

     68      -0.0639      2.00000

     69       0.0024      2.00000

     70       0.4609      2.00000

     71       0.6467      2.00000

     72       1.0832      2.00000

     73       1.3371      2.00000

     74       1.4580      2.00000

     75       1.4714      2.00000

     76       1.6760      2.00000

     77       1.7954      2.00000

     78       1.9017      2.00000

     79       1.9313      2.00000

     80       1.9755      2.00000

     81       2.1762      2.00000

     82       2.5375      2.00000

     83       2.7283      2.00000

     84       2.7507      2.00000

     85       2.8154      2.00000

     86       2.8397      2.00000

     87       2.8919      2.00000

     88       2.9450      2.00000

     89       2.9979      2.00000

     90       3.1533      2.00000

     91       3.1799      2.00000

     92       3.2557      2.00000

     93       3.2964      2.00000

     94       3.3231      2.00000

     95       3.3524      2.00000

     96       3.4206      2.00000

     97       3.5455      2.00000

     98       3.8150      2.00000

     99       3.9389      2.00011

    100       3.9516      2.00015

    101       4.2205      2.03790

    102       4.2550      2.05365

    103       4.3332      2.06758

    104       4.5295      1.24373

    105       4.7676     -0.05829

    106       4.8090     -0.07070

    107       4.8819     -0.04466

    108       4.9339     -0.02336

    109       4.9411     -0.02102

    110       5.0376     -0.00366

    111       5.1491     -0.00024

    112       5.2662     -0.00001

    113       5.2873     -0.00000

    114       5.3590     -0.00000

    115       5.4648     -0.00000

    116       5.6226     -0.00000

    117       5.7152     -0.00000

    118       5.7705     -0.00000

    119       5.8115     -0.00000

    120       5.9927     -0.00000

    121       6.0216     -0.00000

    122       6.0687     -0.00000

    123       6.1027     -0.00000

    124       6.1573     -0.00000

    125       6.1784     -0.00000

    126       6.3066     -0.00000

    127       6.3662     -0.00000

    128       6.4390     -0.00000



 k-point  11 :       0.0000    0.3175    0.0000

  band No.  band energies     occupation 

      1     -34.4894      2.00000

      2     -34.4542      2.00000

      3     -34.3875      2.00000

      4     -34.3527      2.00000

      5     -34.2745      2.00000

      6     -34.2358      2.00000

      7     -34.2071      2.00000

      8     -34.1726      2.00000

      9     -34.1604      2.00000

     10     -34.1530      2.00000

     11     -34.1430      2.00000

     12     -34.1199      2.00000

     13     -34.0730      2.00000

     14     -34.0624      2.00000

     15     -34.0132      2.00000

     16     -33.9916      2.00000

     17     -33.9495      2.00000

     18     -33.9321      2.00000

     19     -33.9052      2.00000

     20     -33.8964      2.00000

     21     -33.8483      2.00000

     22     -33.7960      2.00000

     23     -33.7891      2.00000

     24     -33.7530      2.00000

     25     -33.7507      2.00000

     26     -33.7258      2.00000

     27     -33.6924      2.00000

     28     -33.6701      2.00000

     29     -33.6669      2.00000

     30     -33.6339      2.00000

     31     -33.6111      2.00000

     32     -33.6092      2.00000

     33     -33.6036      2.00000

     34     -33.5872      2.00000

     35     -33.5517      2.00000

     36     -33.5033      2.00000

     37     -33.4836      2.00000

     38     -33.4541      2.00000

     39     -33.4421      2.00000

     40     -33.4145      2.00000

     41     -33.4144      2.00000

     42     -33.4063      2.00000

     43     -33.3895      2.00000

     44     -33.3866      2.00000

     45     -33.3667      2.00000

     46     -33.3490      2.00000

     47     -33.3073      2.00000

     48     -33.2163      2.00000

     49      -7.1821      2.00000

     50      -6.5428      2.00000

     51      -4.8332      2.00000

     52      -4.2537      2.00000

     53      -3.3008      2.00000

     54      -2.8277      2.00000

     55      -1.9380      2.00000

     56      -1.6236      2.00000

     57      -1.4691      2.00000

     58      -1.3809      2.00000

     59      -1.3678      2.00000

     60      -0.9707      2.00000

     61      -0.8569      2.00000

     62      -0.7502      2.00000

     63      -0.5983      2.00000

     64      -0.5369      2.00000

     65      -0.3900      2.00000

     66      -0.2840      2.00000

     67      -0.1877      2.00000

     68      -0.1223      2.00000

     69       0.0241      2.00000

     70       0.4204      2.00000

     71       0.6325      2.00000

     72       1.0332      2.00000

     73       1.3917      2.00000

     74       1.4785      2.00000

     75       1.4916      2.00000

     76       1.6805      2.00000

     77       1.7989      2.00000

     78       1.8644      2.00000

     79       1.9785      2.00000

     80       2.0620      2.00000

     81       2.1757      2.00000

     82       2.4189      2.00000

     83       2.7705      2.00000

     84       2.8272      2.00000

     85       2.8540      2.00000

     86       2.8547      2.00000

     87       2.8841      2.00000

     88       2.9315      2.00000

     89       2.9669      2.00000

     90       3.1631      2.00000

     91       3.1916      2.00000

     92       3.2229      2.00000

     93       3.2967      2.00000

     94       3.3696      2.00000

     95       3.3866      2.00000

     96       3.4383      2.00000

     97       3.5270      2.00000

     98       3.8711      2.00001

     99       3.8890      2.00002

    100       4.0283      2.00114

    101       4.1438      2.01249

    102       4.2645      2.05784

    103       4.2770      2.06293

    104       4.5719      0.88810

    105       4.7217      0.01232

    106       4.7997     -0.07080

    107       4.9250     -0.02649

    108       4.9339     -0.02337

    109       4.9910     -0.00916

    110       5.0755     -0.00158

    111       5.1745     -0.00012

    112       5.2202     -0.00003

    113       5.2927     -0.00000

    114       5.3548     -0.00000

    115       5.4092     -0.00000

    116       5.5428     -0.00000

    117       5.7757     -0.00000

    118       5.8636     -0.00000

    119       5.9150     -0.00000

    120       5.9407     -0.00000

    121       6.0190     -0.00000

    122       6.0625     -0.00000

    123       6.0960     -0.00000

    124       6.1165     -0.00000

    125       6.1481     -0.00000

    126       6.1964     -0.00000

    127       6.3824     -0.00000

    128       6.4555     -0.00000



 k-point  12 :       0.0000    0.3492    0.0000

  band No.  band energies     occupation 

      1     -34.4761      2.00000

      2     -34.4506      2.00000

      3     -34.3940      2.00000

      4     -34.3412      2.00000

      5     -34.2974      2.00000

      6     -34.2296      2.00000

      7     -34.2071      2.00000

      8     -34.1841      2.00000

      9     -34.1597      2.00000

     10     -34.1478      2.00000

     11     -34.1406      2.00000

     12     -34.1240      2.00000

     13     -34.0716      2.00000

     14     -34.0621      2.00000

     15     -34.0293      2.00000

     16     -33.9867      2.00000

     17     -33.9505      2.00000

     18     -33.9341      2.00000

     19     -33.9156      2.00000

     20     -33.9140      2.00000

     21     -33.8388      2.00000

     22     -33.7915      2.00000

     23     -33.7787      2.00000

     24     -33.7584      2.00000

     25     -33.7509      2.00000

     26     -33.7306      2.00000

     27     -33.6866      2.00000

     28     -33.6621      2.00000

     29     -33.6586      2.00000

     30     -33.6191      2.00000

     31     -33.6108      2.00000

     32     -33.6082      2.00000

     33     -33.5982      2.00000

     34     -33.5956      2.00000

     35     -33.5352      2.00000

     36     -33.4963      2.00000

     37     -33.4960      2.00000

     38     -33.4458      2.00000

     39     -33.4449      2.00000

     40     -33.4248      2.00000

     41     -33.4183      2.00000

     42     -33.3979      2.00000

     43     -33.3899      2.00000

     44     -33.3810      2.00000

     45     -33.3630      2.00000

     46     -33.3574      2.00000

     47     -33.3125      2.00000

     48     -33.2290      2.00000

     49      -7.1441      2.00000

     50      -6.6146      2.00000

     51      -4.7722      2.00000

     52      -4.1944      2.00000

     53      -3.4032      2.00000

     54      -2.7715      2.00000

     55      -2.0324      2.00000

     56      -1.5772      2.00000

     57      -1.4471      2.00000

     58      -1.3658      2.00000

     59      -1.3149      2.00000

     60      -0.9956      2.00000

     61      -0.8547      2.00000

     62      -0.7684      2.00000

     63      -0.6208      2.00000

     64      -0.6006      2.00000

     65      -0.4006      2.00000

     66      -0.2969      2.00000

     67      -0.1851      2.00000

     68      -0.1804      2.00000

     69       0.0479      2.00000

     70       0.3801      2.00000

     71       0.6267      2.00000

     72       0.9854      2.00000

     73       1.4511      2.00000

     74       1.4998      2.00000

     75       1.5143      2.00000

     76       1.6776      2.00000

     77       1.8046      2.00000

     78       1.8246      2.00000

     79       2.0350      2.00000

     80       2.1482      2.00000

     81       2.1722      2.00000

     82       2.3036      2.00000

     83       2.7919      2.00000

     84       2.8199      2.00000

     85       2.8371      2.00000

     86       2.8899      2.00000

     87       2.8989      2.00000

     88       2.9463      2.00000

     89       3.0060      2.00000

     90       3.1501      2.00000

     91       3.1905      2.00000

     92       3.2259      2.00000

     93       3.2938      2.00000

     94       3.3781      2.00000

     95       3.4113      2.00000

     96       3.5102      2.00000

     97       3.5179      2.00000

     98       3.7908      2.00000

     99       3.9668      2.00023

    100       4.0413      2.00156

    101       4.1310      2.00997

    102       4.1882      2.02499

    103       4.3135      2.07092

    104       4.6117      0.56821

    105       4.6978      0.08340

    106       4.7811     -0.06640

    107       4.9053     -0.03424

    108       4.9847     -0.01027

    109       5.0495     -0.00284

    110       5.0982     -0.00092

    111       5.1340     -0.00037

    112       5.1991     -0.00006

    113       5.3088     -0.00000

    114       5.3345     -0.00000

    115       5.3893     -0.00000

    116       5.4640     -0.00000

    117       5.8270     -0.00000

    118       5.8574     -0.00000

    119       5.9395     -0.00000

    120       6.0195     -0.00000

    121       6.0339     -0.00000

    122       6.0640     -0.00000

    123       6.0694     -0.00000

    124       6.0852     -0.00000

    125       6.2254     -0.00000

    126       6.2606     -0.00000

    127       6.4166     -0.00000

    128       6.5218     -0.00000



 k-point  13 :       0.0000    0.3810    0.0000

  band No.  band energies     occupation 

      1     -34.4618      2.00000

      2     -34.4467      2.00000

      3     -34.4002      2.00000

      4     -34.3289      2.00000

      5     -34.3197      2.00000

      6     -34.2240      2.00000

      7     -34.2162      2.00000

      8     -34.1882      2.00000

      9     -34.1581      2.00000

     10     -34.1424      2.00000

     11     -34.1367      2.00000

     12     -34.1281      2.00000

     13     -34.0803      2.00000

     14     -34.0503      2.00000

     15     -34.0451      2.00000

     16     -33.9815      2.00000

     17     -33.9504      2.00000

     18     -33.9367      2.00000

     19     -33.9336      2.00000

     20     -33.9224      2.00000

     21     -33.8296      2.00000

     22     -33.7867      2.00000

     23     -33.7709      2.00000

     24     -33.7641      2.00000

     25     -33.7513      2.00000

     26     -33.7366      2.00000

     27     -33.6800      2.00000

     28     -33.6569      2.00000

     29     -33.6469      2.00000

     30     -33.6130      2.00000

     31     -33.6120      2.00000

     32     -33.6093      2.00000

     33     -33.6037      2.00000

     34     -33.5807      2.00000

     35     -33.5183      2.00000

     36     -33.5093      2.00000

     37     -33.4897      2.00000

     38     -33.4532      2.00000

     39     -33.4390      2.00000

     40     -33.4330      2.00000

     41     -33.4223      2.00000

     42     -33.3961      2.00000

     43     -33.3890      2.00000

     44     -33.3725      2.00000

     45     -33.3645      2.00000

     46     -33.3554      2.00000

     47     -33.3182      2.00000

     48     -33.2427      2.00000

     49      -7.1027      2.00000

     50      -6.6834      2.00000

     51      -4.7205      2.00000

     52      -4.1300      2.00000

     53      -3.5028      2.00000

     54      -2.7106      2.00000

     55      -2.1245      2.00000

     56      -1.5371      2.00000

     57      -1.4295      2.00000

     58      -1.3470      2.00000

     59      -1.2561      2.00000

     60      -1.0265      2.00000

     61      -0.8877      2.00000

     62      -0.7613      2.00000

     63      -0.6917      2.00000

     64      -0.5895      2.00000

     65      -0.4329      2.00000

     66      -0.2938      2.00000

     67      -0.2396      2.00000

     68      -0.1780      2.00000

     69       0.0735      2.00000

     70       0.3401      2.00000

     71       0.6277      2.00000

     72       0.9413      2.00000

     73       1.5116      2.00000

     74       1.5215      2.00000

     75       1.5429      2.00000

     76       1.6694      2.00000

     77       1.7864      2.00000

     78       1.8120      2.00000

     79       2.0969      2.00000

     80       2.1542      2.00000

     81       2.1928      2.00000

     82       2.2460      2.00000

     83       2.7020      2.00000

     84       2.8003      2.00000

     85       2.8602      2.00000

     86       2.9200      2.00000

     87       2.9618      2.00000

     88       2.9724      2.00000

     89       3.0461      2.00000

     90       3.1426      2.00000

     91       3.1596      2.00000

     92       3.2525      2.00000

     93       3.2901      2.00000

     94       3.3824      2.00000

     95       3.4292      2.00000

     96       3.5380      2.00000

     97       3.5780      2.00000

     98       3.7155      2.00000

     99       3.9442      2.00012

    100       4.0507      2.00194

    101       4.1057      2.00620

    102       4.2278      2.04115

    103       4.3493      2.05868

    104       4.6373      0.38815

    105       4.6905      0.11026

    106       4.7642     -0.05552

    107       4.8845     -0.04343

    108       5.0147     -0.00584

    109       5.0462     -0.00305

    110       5.1129     -0.00063

    111       5.1182     -0.00055

    112       5.2176     -0.00003

    113       5.2789     -0.00000

    114       5.3134     -0.00000

    115       5.3962     -0.00000

    116       5.4275     -0.00000

    117       5.7718     -0.00000

    118       5.8635     -0.00000

    119       5.9320     -0.00000

    120       6.0073     -0.00000

    121       6.0590     -0.00000

    122       6.0996     -0.00000

    123       6.1138     -0.00000

    124       6.1363     -0.00000

    125       6.2236     -0.00000

    126       6.2289     -0.00000

    127       6.4079     -0.00000

    128       6.4647     -0.00000



 k-point  14 :       0.0000    0.4127    0.0000

  band No.  band energies     occupation 

      1     -34.4471      2.00000

      2     -34.4420      2.00000

      3     -34.4058      2.00000

      4     -34.3414      2.00000

      5     -34.3157      2.00000

      6     -34.2317      2.00000

      7     -34.2177      2.00000

      8     -34.1889      2.00000

      9     -34.1553      2.00000

     10     -34.1368      2.00000

     11     -34.1333      2.00000

     12     -34.1300      2.00000

     13     -34.0885      2.00000

     14     -34.0601      2.00000

     15     -34.0375      2.00000

     16     -33.9761      2.00000

     17     -33.9524      2.00000

     18     -33.9495      2.00000

     19     -33.9381      2.00000

     20     -33.9303      2.00000

     21     -33.8210      2.00000

     22     -33.7821      2.00000

     23     -33.7698      2.00000

     24     -33.7652      2.00000

     25     -33.7518      2.00000

     26     -33.7429      2.00000

     27     -33.6736      2.00000

     28     -33.6513      2.00000

     29     -33.6365      2.00000

     30     -33.6178      2.00000

     31     -33.6135      2.00000

     32     -33.6113      2.00000

     33     -33.6002      2.00000

     34     -33.5614      2.00000

     35     -33.5233      2.00000

     36     -33.5016      2.00000

     37     -33.4839      2.00000

     38     -33.4650      2.00000

     39     -33.4387      2.00000

     40     -33.4350      2.00000

     41     -33.4262      2.00000

     42     -33.4038      2.00000

     43     -33.3835      2.00000

     44     -33.3691      2.00000

     45     -33.3642      2.00000

     46     -33.3438      2.00000

     47     -33.3242      2.00000

     48     -33.2573      2.00000

     49      -7.0579      2.00000

     50      -6.7492      2.00000

     51      -4.6794      2.00000

     52      -4.0608      2.00000

     53      -3.5992      2.00000

     54      -2.6453      2.00000

     55      -2.2139      2.00000

     56      -1.5147      2.00000

     57      -1.3978      2.00000

     58      -1.3287      2.00000

     59      -1.1935      2.00000

     60      -1.0660      2.00000

     61      -0.9295      2.00000

     62      -0.7888      2.00000

     63      -0.7129      2.00000

     64      -0.5633      2.00000

     65      -0.4727      2.00000

     66      -0.3045      2.00000

     67      -0.2772      2.00000

     68      -0.1721      2.00000

     69       0.1009      2.00000

     70       0.3009      2.00000

     71       0.6336      2.00000

     72       0.9026      2.00000

     73       1.5433      2.00000

     74       1.5529      2.00000

     75       1.5974      2.00000

     76       1.6573      2.00000

     77       1.7506      2.00000

     78       1.8201      2.00000

     79       2.0868      2.00000

     80       2.1424      2.00000

     81       2.1637      2.00000

     82       2.3355      2.00000

     83       2.6099      2.00000

     84       2.7505      2.00000

     85       2.9018      2.00000

     86       2.9455      2.00000

     87       2.9978      2.00000

     88       3.0122      2.00000

     89       3.0791      2.00000

     90       3.1316      2.00000

     91       3.1417      2.00000

     92       3.2660      2.00000

     93       3.2857      2.00000

     94       3.4116      2.00000

     95       3.4218      2.00000

     96       3.5890      2.00000

     97       3.6324      2.00000

     98       3.6504      2.00000

     99       3.8474      2.00001

    100       4.0202      2.00094

    101       4.1354      2.01078

    102       4.3294      2.06880

    103       4.3818      2.01715

    104       4.6178      0.52338

    105       4.6938      0.09775

    106       4.7783     -0.06507

    107       4.8641     -0.05286

    108       4.9332     -0.02358

    109       5.0607     -0.00221

    110       5.1234     -0.00048

    111       5.1875     -0.00008

    112       5.2297     -0.00002

    113       5.2319     -0.00002

    114       5.2627     -0.00001

    115       5.4208     -0.00000

    116       5.4449     -0.00000

    117       5.6861     -0.00000

    118       5.8463     -0.00000

    119       5.8977     -0.00000

    120       6.0299     -0.00000

    121       6.0571     -0.00000

    122       6.0884     -0.00000

    123       6.1012     -0.00000

    124       6.1343     -0.00000

    125       6.1994     -0.00000

    126       6.2868     -0.00000

    127       6.3739     -0.00000

    128       6.4432     -0.00000



 k-point  15 :       0.0000    0.4444    0.0000

  band No.  band energies     occupation 

      1     -34.4401      2.00000

      2     -34.4290      2.00000

      3     -34.4106      2.00000

      4     -34.3622      2.00000

      5     -34.3017      2.00000

      6     -34.2475      2.00000

      7     -34.2133      2.00000

      8     -34.1899      2.00000

      9     -34.1516      2.00000

     10     -34.1367      2.00000

     11     -34.1313      2.00000

     12     -34.1237      2.00000

     13     -34.0957      2.00000

     14     -34.0737      2.00000

     15     -34.0239      2.00000

     16     -33.9708      2.00000

     17     -33.9695      2.00000

     18     -33.9483      2.00000

     19     -33.9401      2.00000

     20     -33.9372      2.00000

     21     -33.8133      2.00000

     22     -33.7793      2.00000

     23     -33.7735      2.00000

     24     -33.7612      2.00000

     25     -33.7525      2.00000

     26     -33.7488      2.00000

     27     -33.6682      2.00000

     28     -33.6455      2.00000

     29     -33.6285      2.00000

     30     -33.6225      2.00000

     31     -33.6181      2.00000

     32     -33.6154      2.00000

     33     -33.5892      2.00000

     34     -33.5421      2.00000

     35     -33.5378      2.00000

     36     -33.4864      2.00000

     37     -33.4792      2.00000

     38     -33.4788      2.00000

     39     -33.4443      2.00000

     40     -33.4318      2.00000

     41     -33.4295      2.00000

     42     -33.4126      2.00000

     43     -33.3804      2.00000

     44     -33.3719      2.00000

     45     -33.3562      2.00000

     46     -33.3307      2.00000

     47     -33.3291      2.00000

     48     -33.2727      2.00000

     49      -7.0099      2.00000

     50      -6.8117      2.00000

     51      -4.6501      2.00000

     52      -3.9869      2.00000

     53      -3.6919      2.00000

     54      -2.5755      2.00000

     55      -2.3004      2.00000

     56      -1.5090      2.00000

     57      -1.3497      2.00000

     58      -1.3136      2.00000

     59      -1.1322      2.00000

     60      -1.1122      2.00000

     61      -0.9604      2.00000

     62      -0.8603      2.00000

     63      -0.6826      2.00000

     64      -0.5390      2.00000

     65      -0.5037      2.00000

     66      -0.3559      2.00000

     67      -0.2731      2.00000

     68      -0.1673      2.00000

     69       0.1296      2.00000

     70       0.2634      2.00000

     71       0.6418      2.00000

     72       0.8720      2.00000

     73       1.5645      2.00000

     74       1.5802      2.00000

     75       1.6424      2.00000

     76       1.6704      2.00000

     77       1.7191      2.00000

     78       1.8273      2.00000

     79       1.9861      2.00000

     80       2.1320      2.00000

     81       2.2354      2.00000

     82       2.4226      2.00000

     83       2.5203      2.00000

     84       2.6903      2.00000

     85       2.9385      2.00000

     86       2.9665      2.00000

     87       3.0158      2.00000

     88       3.0462      2.00000

     89       3.1010      2.00000

     90       3.1095      2.00000

     91       3.1473      2.00000

     92       3.2699      2.00000

     93       3.2808      2.00000

     94       3.4084      2.00000

     95       3.4647      2.00000

     96       3.5951      2.00000

     97       3.6589      2.00000

     98       3.6699      2.00000

     99       3.7522      2.00000

    100       3.9348      2.00009

    101       4.2216      2.03837

    102       4.4067      1.95818

    103       4.4339      1.86106

    104       4.5594      0.99358

    105       4.7020      0.06888

    106       4.7849     -0.06785

    107       4.8460     -0.06071

    108       4.8757     -0.04749

    109       5.0716     -0.00173

    110       5.1306     -0.00040

    111       5.1558     -0.00020

    112       5.2360     -0.00002

    113       5.2373     -0.00002

    114       5.2770     -0.00000

    115       5.4196     -0.00000

    116       5.5011     -0.00000

    117       5.6047     -0.00000

    118       5.7680     -0.00000

    119       5.9162     -0.00000

    120       6.0459     -0.00000

    121       6.0538     -0.00000

    122       6.0918     -0.00000

    123       6.1362     -0.00000

    124       6.1567     -0.00000

    125       6.2098     -0.00000

    126       6.2803     -0.00000

    127       6.4255     -0.00000

    128       6.5258     -0.00000



 k-point  16 :       0.0000    0.4762    0.0000

  band No.  band energies     occupation 

      1     -34.4372      2.00000

      2     -34.4149      2.00000

      3     -34.4111      2.00000

      4     -34.3818      2.00000

      5     -34.2871      2.00000

      6     -34.2632      2.00000

      7     -34.2102      2.00000

      8     -34.1910      2.00000

      9     -34.1477      2.00000

     10     -34.1405      2.00000

     11     -34.1270      2.00000

     12     -34.1169      2.00000

     13     -34.1010      2.00000

     14     -34.0843      2.00000

     15     -34.0094      2.00000

     16     -33.9860      2.00000

     17     -33.9666      2.00000

     18     -33.9469      2.00000

     19     -33.9425      2.00000

     20     -33.9417      2.00000

     21     -33.8076      2.00000

     22     -33.7820      2.00000

     23     -33.7713      2.00000

     24     -33.7586      2.00000

     25     -33.7536      2.00000

     26     -33.7533      2.00000

     27     -33.6647      2.00000

     28     -33.6399      2.00000

     29     -33.6273      2.00000

     30     -33.6232      2.00000

     31     -33.6225      2.00000

     32     -33.6177      2.00000

     33     -33.5765      2.00000

     34     -33.5523      2.00000

     35     -33.5233      2.00000

     36     -33.4967      2.00000

     37     -33.4763      2.00000

     38     -33.4702      2.00000

     39     -33.4520      2.00000

     40     -33.4317      2.00000

     41     -33.4284      2.00000

     42     -33.4203      2.00000

     43     -33.3788      2.00000

     44     -33.3735      2.00000

     45     -33.3485      2.00000

     46     -33.3375      2.00000

     47     -33.3131      2.00000

     48     -33.2886      2.00000

     49      -6.9599      2.00000

     50      -6.8698      2.00000

     51      -4.6334      2.00000

     52      -3.9088      2.00000

     53      -3.7805      2.00000

     54      -2.5017      2.00000

     55      -2.3836      2.00000

     56      -1.5093      2.00000

     57      -1.3140      2.00000

     58      -1.2855      2.00000

     59      -1.1751      2.00000

     60      -1.0583      2.00000

     61      -0.9817      2.00000

     62      -0.9275      2.00000

     63      -0.6490      2.00000

     64      -0.5619      2.00000

     65      -0.4778      2.00000

     66      -0.4071      2.00000

     67      -0.2688      2.00000

     68      -0.1644      2.00000

     69       0.1571      2.00000

     70       0.2309      2.00000

     71       0.6485      2.00000

     72       0.8528      2.00000

     73       1.5831      2.00000

     74       1.6021      2.00000

     75       1.6272      2.00000

     76       1.6902      2.00000

     77       1.7545      2.00000

     78       1.8320      2.00000

     79       1.8911      2.00000

     80       2.1253      2.00000

     81       2.3115      2.00000

     82       2.4339      2.00000

     83       2.5059      2.00000

     84       2.6219      2.00000

     85       2.9645      2.00000

     86       2.9830      2.00000

     87       3.0188      2.00000

     88       3.0636      2.00000

     89       3.0980      2.00000

     90       3.1119      2.00000

     91       3.1548      2.00000

     92       3.2716      2.00000

     93       3.2762      2.00000

     94       3.3984      2.00000

     95       3.5346      2.00000

     96       3.5646      2.00000

     97       3.6591      2.00000

     98       3.6921      2.00000

     99       3.7314      2.00000

    100       3.8511      2.00001

    101       4.3020      2.06994

    102       4.4194      1.91725

    103       4.4880      1.55901

    104       4.5442      1.12189

    105       4.6992      0.07831

    106       4.7096      0.04501

    107       4.8336     -0.06530

    108       4.9226     -0.02739

    109       5.0346     -0.00390

    110       5.1216     -0.00051

    111       5.1347     -0.00036

    112       5.2357     -0.00002

    113       5.2400     -0.00002

    114       5.3469     -0.00000

    115       5.4142     -0.00000

    116       5.5135     -0.00000

    117       5.5827     -0.00000

    118       5.6921     -0.00000

    119       5.9284     -0.00000

    120       6.0452     -0.00000

    121       6.0617     -0.00000

    122       6.0886     -0.00000

    123       6.1092     -0.00000

    124       6.1674     -0.00000

    125       6.2665     -0.00000

    126       6.3007     -0.00000

    127       6.4281     -0.00000

    128       6.5326     -0.00000



 k-point  17 :       0.0000    0.5079    0.0000

  band No.  band energies     occupation 

      1     -34.4366      2.00000

      2     -34.4151      2.00000

      3     -34.4038      2.00000

      4     -34.3901      2.00000

      5     -34.2800      2.00000

      6     -34.2706      2.00000

      7     -34.2095      2.00000

      8     -34.1914      2.00000

      9     -34.1461      2.00000

     10     -34.1421      2.00000

     11     -34.1259      2.00000

     12     -34.1148      2.00000

     13     -34.1023      2.00000

     14     -34.0871      2.00000

     15     -34.0019      2.00000

     16     -33.9939      2.00000

     17     -33.9655      2.00000

     18     -33.9465      2.00000

     19     -33.9438      2.00000

     20     -33.9423      2.00000

     21     -33.8062      2.00000

     22     -33.7830      2.00000

     23     -33.7703      2.00000

     24     -33.7580      2.00000

     25     -33.7548      2.00000

     26     -33.7536      2.00000

     27     -33.6639      2.00000

     28     -33.6379      2.00000

     29     -33.6292      2.00000

     30     -33.6236      2.00000

     31     -33.6211      2.00000

     32     -33.6190      2.00000

     33     -33.5707      2.00000

     34     -33.5585      2.00000

     35     -33.5142      2.00000

     36     -33.5052      2.00000

     37     -33.4756      2.00000

     38     -33.4641      2.00000

     39     -33.4567      2.00000

     40     -33.4322      2.00000

     41     -33.4267      2.00000

     42     -33.4230      2.00000

     43     -33.3784      2.00000

     44     -33.3738      2.00000

     45     -33.3449      2.00000

     46     -33.3410      2.00000

     47     -33.3049      2.00000

     48     -33.2967      2.00000

     49      -6.9374      2.00000

     50      -6.8940      2.00000

     51      -4.6301      2.00000

     52      -3.8699      2.00000

     53      -3.8215      2.00000

     54      -2.4632      2.00000

     55      -2.4239      2.00000

     56      -1.5095      2.00000

     57      -1.3106      2.00000

     58      -1.2649      2.00000

     59      -1.1975      2.00000

     60      -1.0259      2.00000

     61      -0.9983      2.00000

     62      -0.9476      2.00000

     63      -0.6375      2.00000

     64      -0.5736      2.00000

     65      -0.4571      2.00000

     66      -0.4306      2.00000

     67      -0.2678      2.00000

     68      -0.1638      2.00000

     69       0.1664      2.00000

     70       0.2206      2.00000

     71       0.6501      2.00000

     72       0.8487      2.00000

     73       1.5889      2.00000

     74       1.6081      2.00000

     75       1.6221      2.00000

     76       1.6838      2.00000

     77       1.7938      2.00000

     78       1.8330      2.00000

     79       1.8485      2.00000

     80       2.1239      2.00000

     81       2.3512      2.00000

     82       2.3920      2.00000

     83       2.5452      2.00000

     84       2.5855      2.00000

     85       2.9702      2.00000

     86       2.9887      2.00000

     87       3.0164      2.00000

     88       3.0669      2.00000

     89       3.0963      2.00000

     90       3.1139      2.00000

     91       3.1568      2.00000

     92       3.2727      2.00000

     93       3.2743      2.00000

     94       3.3961      2.00000

     95       3.5580      2.00000

     96       3.5737      2.00000

     97       3.6164      2.00000

     98       3.6956      2.00000

     99       3.7697      2.00000

    100       3.8108      2.00000

    101       4.3296      2.06875

    102       4.4171      1.92524

    103       4.4697      1.67647

    104       4.5944      0.70299

    105       4.6486      0.31779

    106       4.7114      0.03955

    107       4.8309     -0.06620

    108       4.9537     -0.01731

    109       5.0034     -0.00728

    110       5.1194     -0.00054

    111       5.1355     -0.00035

    112       5.2351     -0.00002

    113       5.2405     -0.00002

    114       5.3777     -0.00000

    115       5.4049     -0.00000

    116       5.4949     -0.00000

    117       5.6088     -0.00000

    118       5.6597     -0.00000

    119       5.9311     -0.00000

    120       6.0492     -0.00000

    121       6.0661     -0.00000

    122       6.1006     -0.00000

    123       6.1390     -0.00000

    124       6.1740     -0.00000

    125       6.2830     -0.00000

    126       6.4000     -0.00000

    127       6.4698     -0.00000

    128       6.5192     -0.00000



 k-point  18 :       0.0000    0.5397    0.0000

  band No.  band energies     occupation 

      1     -34.4384      2.00000

      2     -34.4208      2.00000

      3     -34.4124      2.00000

      4     -34.3722      2.00000

      5     -34.2944      2.00000

      6     -34.2554      2.00000

      7     -34.2115      2.00000

      8     -34.1905      2.00000

      9     -34.1496      2.00000

     10     -34.1386      2.00000

     11     -34.1289      2.00000

     12     -34.1201      2.00000

     13     -34.0987      2.00000

     14     -34.0795      2.00000

     15     -34.0167      2.00000

     16     -33.9779      2.00000

     17     -33.9685      2.00000

     18     -33.9476      2.00000

     19     -33.9411      2.00000

     20     -33.9401      2.00000

     21     -33.8101      2.00000

     22     -33.7803      2.00000

     23     -33.7727      2.00000

     24     -33.7597      2.00000

     25     -33.7529      2.00000

     26     -33.7514      2.00000

     27     -33.6662      2.00000

     28     -33.6426      2.00000

     29     -33.6256      2.00000

     30     -33.6247      2.00000

     31     -33.6208      2.00000

     32     -33.6165      2.00000

     33     -33.5830      2.00000

     34     -33.5452      2.00000

     35     -33.5326      2.00000

     36     -33.4887      2.00000

     37     -33.4775      2.00000

     38     -33.4769      2.00000

     39     -33.4478      2.00000

     40     -33.4308      2.00000

     41     -33.4302      2.00000

     42     -33.4167      2.00000

     43     -33.3794      2.00000

     44     -33.3728      2.00000

     45     -33.3523      2.00000

     46     -33.3341      2.00000

     47     -33.3212      2.00000

     48     -33.2806      2.00000

     49      -6.9850      2.00000

     50      -6.8415      2.00000

     51      -4.6401      2.00000

     52      -3.9483      2.00000

     53      -3.7368      2.00000

     54      -2.5391      2.00000

     55      -2.3424      2.00000

     56      -1.5089      2.00000

     57      -1.3261      2.00000

     58      -1.3044      2.00000

     59      -1.1476      2.00000

     60      -1.0914      2.00000

     61      -0.9713      2.00000

     62      -0.8958      2.00000

     63      -0.6653      2.00000

     64      -0.5467      2.00000

     65      -0.4961      2.00000

     66      -0.3819      2.00000

     67      -0.2706      2.00000

     68      -0.1656      2.00000

     69       0.1439      2.00000

     70       0.2461      2.00000

     71       0.6456      2.00000

     72       0.8607      2.00000

     73       1.5744      2.00000

     74       1.5922      2.00000

     75       1.6345      2.00000

     76       1.6972      2.00000

     77       1.7180      2.00000

     78       1.8301      2.00000

     79       1.9377      2.00000

     80       2.1281      2.00000

     81       2.2729      2.00000

     82       2.4648      2.00000

     83       2.4767      2.00000

     84       2.6570      2.00000

     85       2.9534      2.00000

     86       2.9753      2.00000

     87       3.0193      2.00000

     88       3.0569      2.00000

     89       3.1022      2.00000

     90       3.1077      2.00000

     91       3.1514      2.00000

     92       3.2707      2.00000

     93       3.2784      2.00000

     94       3.4027      2.00000

     95       3.4980      2.00000

     96       3.5772      2.00000

     97       3.6813      2.00000

     98       3.6942      2.00000

     99       3.7069      2.00000

    100       3.8927      2.00003

    101       4.2635      2.05744

    102       4.4155      1.93046

    103       4.4832      1.59134

    104       4.5281      1.25540

    105       4.7062      0.05525

    106       4.7475     -0.03663

    107       4.8389     -0.06347

    108       4.8929     -0.03966

    109       5.0610     -0.00220

    110       5.1311     -0.00040

    111       5.1330     -0.00038

    112       5.2368     -0.00002

    113       5.2388     -0.00002

    114       5.3113     -0.00000

    115       5.4180     -0.00000

    116       5.5229     -0.00000

    117       5.5753     -0.00000

    118       5.7293     -0.00000

    119       5.9240     -0.00000

    120       6.0313     -0.00000

    121       6.0516     -0.00000

    122       6.0733     -0.00000

    123       6.1277     -0.00000

    124       6.1524     -0.00000

    125       6.2425     -0.00000

    126       6.2985     -0.00000

    127       6.4504     -0.00000

    128       6.5194     -0.00000



 k-point  19 :       0.0000    0.5714    0.0000

  band No.  band energies     occupation 

      1     -34.4424      2.00000

      2     -34.4368      2.00000

      3     -34.4083      2.00000

      4     -34.3519      2.00000

      5     -34.3088      2.00000

      6     -34.2395      2.00000

      7     -34.2154      2.00000

      8     -34.1893      2.00000

      9     -34.1535      2.00000

     10     -34.1348      2.00000

     11     -34.1340      2.00000

     12     -34.1272      2.00000

     13     -34.0922      2.00000

     14     -34.0671      2.00000

     15     -34.0308      2.00000

     16     -33.9734      2.00000

     17     -33.9610      2.00000

     18     -33.9489      2.00000

     19     -33.9391      2.00000

     20     -33.9339      2.00000

     21     -33.8170      2.00000

     22     -33.7801      2.00000

     23     -33.7722      2.00000

     24     -33.7630      2.00000

     25     -33.7521      2.00000

     26     -33.7459      2.00000

     27     -33.6708      2.00000

     28     -33.6484      2.00000

     29     -33.6322      2.00000

     30     -33.6202      2.00000

     31     -33.6149      2.00000

     32     -33.6144      2.00000

     33     -33.5950      2.00000

     34     -33.5517      2.00000

     35     -33.5306      2.00000

     36     -33.4935      2.00000

     37     -33.4813      2.00000

     38     -33.4720      2.00000

     39     -33.4413      2.00000

     40     -33.4334      2.00000

     41     -33.4280      2.00000

     42     -33.4082      2.00000

     43     -33.3817      2.00000

     44     -33.3707      2.00000

     45     -33.3602      2.00000

     46     -33.3367      2.00000

     47     -33.3274      2.00000

     48     -33.2649      2.00000

     49      -7.0343      2.00000

     50      -6.7809      2.00000

     51      -4.6632      2.00000

     52      -4.0244      2.00000

     53      -3.6460      2.00000

     54      -2.6109      2.00000

     55      -2.2575      2.00000

     56      -1.5105      2.00000

     57      -1.3750      2.00000

     58      -1.3208      2.00000

     59      -1.1613      2.00000

     60      -1.0897      2.00000

     61      -0.9467      2.00000

     62      -0.8238      2.00000

     63      -0.6992      2.00000

     64      -0.5485      2.00000

     65      -0.4918      2.00000

     66      -0.3294      2.00000

     67      -0.2759      2.00000

     68      -0.1695      2.00000

     69       0.1152      2.00000

     70       0.2818      2.00000

     71       0.6377      2.00000

     72       0.8861      2.00000

     73       1.5541      2.00000

     74       1.5672      2.00000

     75       1.6331      2.00000

     76       1.6501      2.00000

     77       1.7340      2.00000

     78       1.8239      2.00000

     79       2.0358      2.00000

     80       2.1369      2.00000

     81       2.1990      2.00000

     82       2.3794      2.00000

     83       2.5647      2.00000

     84       2.7215      2.00000

     85       2.9210      2.00000

     86       2.9566      2.00000

     87       3.0083      2.00000

     88       3.0313      2.00000

     89       3.0915      2.00000

     90       3.1195      2.00000

     91       3.1438      2.00000

     92       3.2686      2.00000

     93       3.2833      2.00000

     94       3.4151      2.00000

     95       3.4356      2.00000

     96       3.6112      2.00000

     97       3.6321      2.00000

     98       3.6534      2.00000

     99       3.7994      2.00000

    100       3.9774      2.00031

    101       4.1785      2.02175

    102       4.3805      2.01954

    103       4.3965      1.98561

    104       4.5912      0.72834

    105       4.6976      0.08384

    106       4.7917     -0.06973

    107       4.8546     -0.05710

    108       4.8920     -0.04003

    109       5.0693     -0.00182

    110       5.1274     -0.00044

    111       5.1910     -0.00007

    112       5.2221     -0.00003

    113       5.2338     -0.00002

    114       5.2591     -0.00001

    115       5.4203     -0.00000

    116       5.4727     -0.00000

    117       5.6442     -0.00000

    118       5.8074     -0.00000

    119       5.9077     -0.00000

    120       6.0309     -0.00000

    121       6.0470     -0.00000

    122       6.0703     -0.00000

    123       6.1089     -0.00000

    124       6.1463     -0.00000

    125       6.1788     -0.00000

    126       6.2403     -0.00000

    127       6.3973     -0.00000

    128       6.4387     -0.00000



 k-point  20 :       0.0000    0.6032    0.0000

  band No.  band energies     occupation 

      1     -34.4543      2.00000

      2     -34.4446      2.00000

      3     -34.4031      2.00000

      4     -34.3307      2.00000

      5     -34.3223      2.00000

      6     -34.2247      2.00000

      7     -34.2197      2.00000

      8     -34.1886      2.00000

      9     -34.1569      2.00000

     10     -34.1396      2.00000

     11     -34.1344      2.00000

     12     -34.1298      2.00000

     13     -34.0845      2.00000

     14     -34.0527      2.00000

     15     -34.0440      2.00000

     16     -33.9788      2.00000

     17     -33.9501      2.00000

     18     -33.9435      2.00000

     19     -33.9369      2.00000

     20     -33.9264      2.00000

     21     -33.8252      2.00000

     22     -33.7844      2.00000

     23     -33.7678      2.00000

     24     -33.7669      2.00000

     25     -33.7515      2.00000

     26     -33.7397      2.00000

     27     -33.6768      2.00000

     28     -33.6541      2.00000

     29     -33.6415      2.00000

     30     -33.6155      2.00000

     31     -33.6127      2.00000

     32     -33.6076      2.00000

     33     -33.6049      2.00000

     34     -33.5711      2.00000

     35     -33.5162      2.00000

     36     -33.5099      2.00000

     37     -33.4867      2.00000

     38     -33.4587      2.00000

     39     -33.4370      2.00000

     40     -33.4359      2.00000

     41     -33.4243      2.00000

     42     -33.3997      2.00000

     43     -33.3859      2.00000

     44     -33.3683      2.00000

     45     -33.3671      2.00000

     46     -33.3501      2.00000

     47     -33.3211      2.00000

     48     -33.2499      2.00000

     49      -7.0807      2.00000

     50      -6.7167      2.00000

     51      -4.6985      2.00000

     52      -4.0960      2.00000

     53      -3.5514      2.00000

     54      -2.6785      2.00000

     55      -2.1695      2.00000

     56      -1.5233      2.00000

     57      -1.4162      2.00000

     58      -1.3375      2.00000

     59      -1.2252      2.00000

     60      -1.0450      2.00000

     61      -0.9093      2.00000

     62      -0.7633      2.00000

     63      -0.7152      2.00000

     64      -0.5774      2.00000

     65      -0.4525      2.00000

     66      -0.2924      2.00000

     67      -0.2654      2.00000

     68      -0.1750      2.00000

     69       0.0870      2.00000

     70       0.3203      2.00000

     71       0.6302      2.00000

     72       0.9211      2.00000

     73       1.5324      2.00000

     74       1.5358      2.00000

     75       1.5659      2.00000

     76       1.6638      2.00000

     77       1.7681      2.00000

     78       1.8161      2.00000

     79       2.1296      2.00000

     80       2.1393      2.00000

     81       2.1484      2.00000

     82       2.2909      2.00000

     83       2.6557      2.00000

     84       2.7768      2.00000

     85       2.8814      2.00000

     86       2.9333      2.00000

     87       2.9854      2.00000

     88       2.9890      2.00000

     89       3.0638      2.00000

     90       3.1412      2.00000

     91       3.1452      2.00000

     92       3.2609      2.00000

     93       3.2880      2.00000

     94       3.3936      2.00000

     95       3.4272      2.00000

     96       3.5611      2.00000

     97       3.6071      2.00000

     98       3.6812      2.00000

     99       3.8958      2.00003

    100       4.0631      2.00256

    101       4.0927      2.00478

    102       4.2783      2.06341

    103       4.3661      2.04165

    104       4.6344      0.40731

    105       4.6912      0.10758

    106       4.7664     -0.05739

    107       4.8742     -0.04822

    108       4.9795     -0.01125

    109       5.0493     -0.00285

    110       5.1186     -0.00055

    111       5.1524     -0.00022

    112       5.2244     -0.00003

    113       5.2629     -0.00001

    114       5.2806     -0.00000

    115       5.4165     -0.00000

    116       5.4248     -0.00000

    117       5.7289     -0.00000

    118       5.8724     -0.00000

    119       5.8980     -0.00000

    120       6.0173     -0.00000

    121       6.0483     -0.00000

    122       6.0803     -0.00000

    123       6.0871     -0.00000

    124       6.1380     -0.00000

    125       6.1755     -0.00000

    126       6.2541     -0.00000

    127       6.3106     -0.00000

    128       6.3749     -0.00000



 k-point  21 :       0.0000    0.6349    0.0000

  band No.  band energies     occupation 

      1     -34.4691      2.00000

      2     -34.4487      2.00000

      3     -34.3972      2.00000

      4     -34.3352      2.00000

      5     -34.3086      2.00000

      6     -34.2266      2.00000

      7     -34.2106      2.00000

      8     -34.1870      2.00000

      9     -34.1590      2.00000

     10     -34.1452      2.00000

     11     -34.1388      2.00000

     12     -34.1261      2.00000

     13     -34.0760      2.00000

     14     -34.0563      2.00000

     15     -34.0373      2.00000

     16     -33.9842      2.00000

     17     -33.9506      2.00000

     18     -33.9352      2.00000

     19     -33.9249      2.00000

     20     -33.9183      2.00000

     21     -33.8341      2.00000

     22     -33.7891      2.00000

     23     -33.7745      2.00000

     24     -33.7612      2.00000

     25     -33.7511      2.00000

     26     -33.7335      2.00000

     27     -33.6833      2.00000

     28     -33.6595      2.00000

     29     -33.6527      2.00000

     30     -33.6138      2.00000

     31     -33.6114      2.00000

     32     -33.6106      2.00000

     33     -33.5997      2.00000

     34     -33.5899      2.00000

     35     -33.5268      2.00000

     36     -33.5025      2.00000

     37     -33.4929      2.00000

     38     -33.4489      2.00000

     39     -33.4417      2.00000

     40     -33.4293      2.00000

     41     -33.4203      2.00000

     42     -33.3944      2.00000

     43     -33.3915      2.00000

     44     -33.3767      2.00000

     45     -33.3618      2.00000

     46     -33.3591      2.00000

     47     -33.3153      2.00000

     48     -33.2358      2.00000

     49      -7.1238      2.00000

     50      -6.6494      2.00000

     51      -4.7451      2.00000

     52      -4.1628      2.00000

     53      -3.4534      2.00000

     54      -2.7417      2.00000

     55      -2.0787      2.00000

     56      -1.5557      2.00000

     57      -1.4389      2.00000

     58      -1.3567      2.00000

     59      -1.2860      2.00000

     60      -1.0102      2.00000

     61      -0.8679      2.00000

     62      -0.7671      2.00000

     63      -0.6564      2.00000

     64      -0.5983      2.00000

     65      -0.4150      2.00000

     66      -0.2963      2.00000

     67      -0.2111      2.00000

     68      -0.1810      2.00000

     69       0.0604      2.00000

     70       0.3601      2.00000

     71       0.6264      2.00000

     72       0.9628      2.00000

     73       1.4819      2.00000

     74       1.5106      2.00000

     75       1.5273      2.00000

     76       1.6741      2.00000

     77       1.8052      2.00000

     78       1.8082      2.00000

     79       2.0653      2.00000

     80       2.1589      2.00000

     81       2.2017      2.00000

     82       2.2476      2.00000

     83       2.7483      2.00000

     84       2.8206      2.00000

     85       2.8388      2.00000

     86       2.9056      2.00000

     87       2.9316      2.00000

     88       2.9590      2.00000

     89       3.0266      2.00000

     90       3.1456      2.00000

     91       3.1748      2.00000

     92       3.2406      2.00000

     93       3.2921      2.00000

     94       3.3776      2.00000

     95       3.4245      2.00000

     96       3.5230      2.00000

     97       3.5454      2.00000

     98       3.7522      2.00000

     99       3.9895      2.00043

    100       4.0124      2.00077

    101       4.1474      2.01328

    102       4.1783      2.02168

    103       4.3317      2.06812

    104       4.6280      0.45079

    105       4.6925      0.10291

    106       4.7708     -0.06068

    107       4.8950     -0.03872

    108       5.0058     -0.00694

    109       5.0729     -0.00168

    110       5.0962     -0.00096

    111       5.1062     -0.00075

    112       5.2092     -0.00004

    113       5.2945     -0.00000

    114       5.3346     -0.00000

    115       5.3853     -0.00000

    116       5.4388     -0.00000

    117       5.8145     -0.00000

    118       5.8470     -0.00000

    119       5.9616     -0.00000

    120       5.9922     -0.00000

    121       6.0599     -0.00000

    122       6.0835     -0.00000

    123       6.0912     -0.00000

    124       6.1326     -0.00000

    125       6.1473     -0.00000

    126       6.2420     -0.00000

    127       6.3297     -0.00000

    128       6.4428     -0.00000



 k-point  22 :       0.0000    0.6667    0.0000

  band No.  band energies     occupation 

      1     -34.4829      2.00000

      2     -34.4524      2.00000

      3     -34.3908      2.00000

      4     -34.3471      2.00000

      5     -34.2860      2.00000

      6     -34.2327      2.00000

      7     -34.2062      2.00000

      8     -34.1791      2.00000

      9     -34.1601      2.00000

     10     -34.1505      2.00000

     11     -34.1420      2.00000

     12     -34.1220      2.00000

     13     -34.0677      2.00000

     14     -34.0670      2.00000

     15     -34.0213      2.00000

     16     -33.9892      2.00000

     17     -33.9502      2.00000

     18     -33.9331      2.00000

     19     -33.9096      2.00000

     20     -33.9061      2.00000

     21     -33.8435      2.00000

     22     -33.7937      2.00000

     23     -33.7835      2.00000

     24     -33.7557      2.00000

     25     -33.7508      2.00000

     26     -33.7279      2.00000

     27     -33.6897      2.00000

     28     -33.6646      2.00000

     29     -33.6644      2.00000

     30     -33.6257      2.00000

     31     -33.6103      2.00000

     32     -33.6059      2.00000

     33     -33.6051      2.00000

     34     -33.5914      2.00000

     35     -33.5436      2.00000

     36     -33.4997      2.00000

     37     -33.4897      2.00000

     38     -33.4490      2.00000

     39     -33.4436      2.00000

     40     -33.4197      2.00000

     41     -33.4164      2.00000

     42     -33.4022      2.00000

     43     -33.3881      2.00000

     44     -33.3852      2.00000

     45     -33.3651      2.00000

     46     -33.3533      2.00000

     47     -33.3099      2.00000

     48     -33.2225      2.00000

     49      -7.1636      2.00000

     50      -6.5791      2.00000

     51      -4.8017      2.00000

     52      -4.2247      2.00000

     53      -3.3523      2.00000

     54      -2.8002      2.00000

     55      -1.9855      2.00000

     56      -1.6002      2.00000

     57      -1.4565      2.00000

     58      -1.3737      2.00000

     59      -1.3426      2.00000

     60      -0.9824      2.00000

     61      -0.8517      2.00000

     62      -0.7617      2.00000

     63      -0.6066      2.00000

     64      -0.5752      2.00000

     65      -0.3918      2.00000

     66      -0.2932      2.00000

     67      -0.1863      2.00000

     68      -0.1519      2.00000

     69       0.0358      2.00000

     70       0.4002      2.00000

     71       0.6286      2.00000

     72       1.0089      2.00000

     73       1.4208      2.00000

     74       1.4891      2.00000

     75       1.5026      2.00000

     76       1.6798      2.00000

     77       1.8015      2.00000

     78       1.8443      2.00000

     79       2.0060      2.00000

     80       2.1065      2.00000

     81       2.1730      2.00000

     82       2.3607      2.00000

     83       2.7913      2.00000

     84       2.8441      2.00000

     85       2.8489      2.00000

     86       2.8638      2.00000

     87       2.8733      2.00000

     88       2.9355      2.00000

     89       2.9855      2.00000

     90       3.1561      2.00000

     91       3.2065      2.00000

     92       3.2093      2.00000

     93       3.2954      2.00000

     94       3.3820      2.00000

     95       3.3919      2.00000

     96       3.4736      2.00000

     97       3.5203      2.00000

     98       3.8306      2.00000

     99       3.9275      2.00008

    100       4.0662      2.00274

    101       4.1057      2.00621

    102       4.2273      2.04091

    103       4.2952      2.06859

    104       4.5924      0.71879

    105       4.7073      0.05200

    106       4.7913     -0.06964

    107       4.9154     -0.03013

    108       4.9601     -0.01562

    109       5.0200     -0.00526

    110       5.0882     -0.00117

    111       5.1783     -0.00011

    112       5.1873     -0.00008

    113       5.3062     -0.00000

    114       5.3419     -0.00000

    115       5.3966     -0.00000

    116       5.5009     -0.00000

    117       5.8040     -0.00000

    118       5.8951     -0.00000

    119       5.9053     -0.00000

    120       5.9910     -0.00000

    121       6.0288     -0.00000

    122       6.0601     -0.00000

    123       6.0875     -0.00000

    124       6.1150     -0.00000

    125       6.1493     -0.00000

    126       6.2404     -0.00000

    127       6.3966     -0.00000

    128       6.4801     -0.00000



 k-point  23 :       0.0000    0.6984    0.0000

  band No.  band energies     occupation 

      1     -34.4956      2.00000

      2     -34.4559      2.00000

      3     -34.3841      2.00000

      4     -34.3580      2.00000

      5     -34.2631      2.00000

      6     -34.2389      2.00000

      7     -34.2089      2.00000

      8     -34.1654      2.00000

      9     -34.1607      2.00000

     10     -34.1554      2.00000

     11     -34.1436      2.00000

     12     -34.1178      2.00000

     13     -34.0781      2.00000

     14     -34.0577      2.00000

     15     -34.0051      2.00000

     16     -33.9939      2.00000

     17     -33.9483      2.00000

     18     -33.9312      2.00000

     19     -33.9006      2.00000

     20     -33.8866      2.00000

     21     -33.8533      2.00000

     22     -33.7981      2.00000

     23     -33.7953      2.00000

     24     -33.7507      2.00000

     25     -33.7504      2.00000

     26     -33.7243      2.00000

     27     -33.6943      2.00000

     28     -33.6754      2.00000

     29     -33.6692      2.00000

     30     -33.6433      2.00000

     31     -33.6154      2.00000

     32     -33.6090      2.00000

     33     -33.6014      2.00000

     34     -33.5829      2.00000

     35     -33.5596      2.00000

     36     -33.5069      2.00000

     37     -33.4779      2.00000

     38     -33.4602      2.00000

     39     -33.4410      2.00000

     40     -33.4129      2.00000

     41     -33.4101      2.00000

     42     -33.4088      2.00000

     43     -33.3936      2.00000

     44     -33.3855      2.00000

     45     -33.3679      2.00000

     46     -33.3444      2.00000

     47     -33.3049      2.00000

     48     -33.2103      2.00000

     49      -7.1999      2.00000

     50      -6.5059      2.00000

     51      -4.8668      2.00000

     52      -4.2815      2.00000

     53      -3.2486      2.00000

     54      -2.8540      2.00000

     55      -1.8902      2.00000

     56      -1.6469      2.00000

     57      -1.4853      2.00000

     58      -1.3981      2.00000

     59      -1.3797      2.00000

     60      -0.9608      2.00000

     61      -0.8657      2.00000

     62      -0.7390      2.00000

     63      -0.5835      2.00000

     64      -0.4978      2.00000

     65      -0.3944      2.00000

     66      -0.2701      2.00000

     67      -0.1881      2.00000

     68      -0.0929      2.00000

     69       0.0130      2.00000

     70       0.4405      2.00000

     71       0.6385      2.00000

     72       1.0580      2.00000

     73       1.3637      2.00000

     74       1.4681      2.00000

     75       1.4812      2.00000

     76       1.6794      2.00000

     77       1.7968      2.00000

     78       1.8843      2.00000

     79       1.9528      2.00000

     80       2.0181      2.00000

     81       2.1770      2.00000

     82       2.4779      2.00000

     83       2.7492      2.00000

     84       2.7894      2.00000

     85       2.8351      2.00000

     86       2.8519      2.00000

     87       2.8972      2.00000

     88       2.9528      2.00000

     89       2.9549      2.00000

     90       3.1696      2.00000

     91       3.1746      2.00000

     92       3.2393      2.00000

     93       3.2974      2.00000

     94       3.3462      2.00000

     95       3.3800      2.00000

     96       3.4168      2.00000

     97       3.5358      2.00000

     98       3.8514      2.00001

     99       3.9115      2.00005

    100       3.9834      2.00037

    101       4.1881      2.02496

    102       4.2601      2.05593

    103       4.2997      2.06955

    104       4.5509      1.06596

    105       4.7417     -0.02786

    106       4.8059     -0.07088

    107       4.9073     -0.03341

    108       4.9338     -0.02340

    109       4.9623     -0.01508

    110       5.0589     -0.00230

    111       5.1614     -0.00017

    112       5.2576     -0.00001

    113       5.2789     -0.00000

    114       5.3596     -0.00000

    115       5.4328     -0.00000

    116       5.5854     -0.00000

    117       5.7436     -0.00000

    118       5.8340     -0.00000

    119       5.8415     -0.00000

    120       5.9797     -0.00000

    121       6.0072     -0.00000

    122       6.0703     -0.00000

    123       6.1396     -0.00000

    124       6.1608     -0.00000

    125       6.2212     -0.00000

    126       6.2639     -0.00000

    127       6.3941     -0.00000

    128       6.4459     -0.00000



 k-point  24 :       0.0000    0.7302    0.0000

  band No.  band energies     occupation 

      1     -34.5071      2.00000

      2     -34.4591      2.00000

      3     -34.3772      2.00000

      4     -34.3680      2.00000

      5     -34.2483      2.00000

      6     -34.2374      2.00000

      7     -34.2134      2.00000

      8     -34.1616      2.00000

      9     -34.1598      2.00000

     10     -34.1509      2.00000

     11     -34.1433      2.00000

     12     -34.1135      2.00000

     13     -34.0876      2.00000

     14     -34.0480      2.00000

     15     -33.9982      2.00000

     16     -33.9894      2.00000

     17     -33.9443      2.00000

     18     -33.9294      2.00000

     19     -33.8914      2.00000

     20     -33.8666      2.00000

     21     -33.8633      2.00000

     22     -33.8099      2.00000

     23     -33.8020      2.00000

     24     -33.7505      2.00000

     25     -33.7460      2.00000

     26     -33.7248      2.00000

     27     -33.6950      2.00000

     28     -33.6854      2.00000

     29     -33.6733      2.00000

     30     -33.6638      2.00000

     31     -33.6240      2.00000

     32     -33.6082      2.00000

     33     -33.5973      2.00000

     34     -33.5743      2.00000

     35     -33.5737      2.00000

     36     -33.5143      2.00000

     37     -33.4758      2.00000

     38     -33.4666      2.00000

     39     -33.4396      2.00000

     40     -33.4152      2.00000

     41     -33.4111      2.00000

     42     -33.4007      2.00000

     43     -33.3984      2.00000

     44     -33.3839      2.00000

     45     -33.3694      2.00000

     46     -33.3353      2.00000

     47     -33.3003      2.00000

     48     -33.1991      2.00000

     49      -7.2326      2.00000

     50      -6.4300      2.00000

     51      -4.9391      2.00000

     52      -4.3330      2.00000

     53      -3.1426      2.00000

     54      -2.9028      2.00000

     55      -1.7933      2.00000

     56      -1.6917      2.00000

     57      -1.5282      2.00000

     58      -1.4451      2.00000

     59      -1.3829      2.00000

     60      -0.9482      2.00000

     61      -0.8857      2.00000

     62      -0.7220      2.00000

     63      -0.5384      2.00000

     64      -0.4203      2.00000

     65      -0.4134      2.00000

     66      -0.2354      2.00000

     67      -0.1845      2.00000

     68      -0.0357      2.00000

     69      -0.0074      2.00000

     70       0.4815      2.00000

     71       0.6572      2.00000

     72       1.1086      2.00000

     73       1.3119      2.00000

     74       1.4480      2.00000

     75       1.4621      2.00000

     76       1.6698      2.00000

     77       1.7946      2.00000

     78       1.8970      2.00000

     79       1.9335      2.00000

     80       1.9352      2.00000

     81       2.1726      2.00000

     82       2.5971      2.00000

     83       2.7080      2.00000

     84       2.7113      2.00000

     85       2.7961      2.00000

     86       2.8200      2.00000

     87       2.8840      2.00000

     88       2.9423      2.00000

     89       3.0440      2.00000

     90       3.1335      2.00000

     91       3.1880      2.00000

     92       3.2712      2.00000

     93       3.2891      2.00000

     94       3.3020      2.00000

     95       3.3273      2.00000

     96       3.4320      2.00000

     97       3.5556      2.00000

     98       3.7799      2.00000

     99       3.8956      2.00003

    100       3.9905      2.00044

    101       4.2142      2.03515

    102       4.2878      2.06660

    103       4.3656      2.04235

    104       4.5082      1.41265

    105       4.7992     -0.07076

    106       4.8074     -0.07081

    107       4.8592     -0.05505

    108       4.9070     -0.03353

    109       4.9448     -0.01988

    110       5.0125     -0.00611

    111       5.1383     -0.00033

    112       5.2553     -0.00001

    113       5.3022     -0.00000

    114       5.3606     -0.00000

    115       5.5011     -0.00000

    116       5.6367     -0.00000

    117       5.7025     -0.00000

    118       5.7121     -0.00000

    119       5.7944     -0.00000

    120       5.9844     -0.00000

    121       6.0584     -0.00000

    122       6.0998     -0.00000

    123       6.1142     -0.00000

    124       6.2027     -0.00000

    125       6.2209     -0.00000

    126       6.2674     -0.00000

    127       6.2953     -0.00000

    128       6.4589     -0.00000



 k-point  25 :       0.0000    0.7619    0.0000

  band No.  band energies     occupation 

      1     -34.5174      2.00000

      2     -34.4620      2.00000

      3     -34.3770      2.00000

      4     -34.3700      2.00000

      5     -34.2542      2.00000

      6     -34.2231      2.00000

      7     -34.2103      2.00000

      8     -34.1641      2.00000

      9     -34.1624      2.00000

     10     -34.1446      2.00000

     11     -34.1346      2.00000

     12     -34.1091      2.00000

     13     -34.0960      2.00000

     14     -34.0382      2.00000

     15     -34.0019      2.00000

     16     -33.9749      2.00000

     17     -33.9372      2.00000

     18     -33.9276      2.00000

     19     -33.8822      2.00000

     20     -33.8732      2.00000

     21     -33.8465      2.00000

     22     -33.8270      2.00000

     23     -33.8056      2.00000

     24     -33.7504      2.00000

     25     -33.7425      2.00000

     26     -33.7293      2.00000

     27     -33.6954      2.00000

     28     -33.6914      2.00000

     29     -33.6842      2.00000

     30     -33.6771      2.00000

     31     -33.6342      2.00000

     32     -33.6075      2.00000

     33     -33.5937      2.00000

     34     -33.5853      2.00000

     35     -33.5653      2.00000

     36     -33.5215      2.00000

     37     -33.4933      2.00000

     38     -33.4570      2.00000

     39     -33.4386      2.00000

     40     -33.4185      2.00000

     41     -33.4155      2.00000

     42     -33.4020      2.00000

     43     -33.3888      2.00000

     44     -33.3829      2.00000

     45     -33.3704      2.00000

     46     -33.3265      2.00000

     47     -33.2963      2.00000

     48     -33.1891      2.00000

     49      -7.2619      2.00000

     50      -6.3515      2.00000

     51      -5.0173      2.00000

     52      -4.3790      2.00000

     53      -3.0348      2.00000

     54      -2.9465      2.00000

     55      -1.7331      2.00000

     56      -1.6953      2.00000

     57      -1.5823      2.00000

     58      -1.4884      2.00000

     59      -1.3826      2.00000

     60      -0.9473      2.00000

     61      -0.9025      2.00000

     62      -0.7077      2.00000

     63      -0.5006      2.00000

     64      -0.4240      2.00000

     65      -0.3441      2.00000

     66      -0.2011      2.00000

     67      -0.1719      2.00000

     68      -0.0272      2.00000

     69       0.0191      2.00000

     70       0.5244      2.00000

     71       0.6854      2.00000

     72       1.1594      2.00000

     73       1.2658      2.00000

     74       1.4289      2.00000

     75       1.4451      2.00000

     76       1.6459      2.00000

     77       1.7932      2.00000

     78       1.8561      2.00000

     79       1.8667      2.00000

     80       1.9745      2.00000

     81       2.1546      2.00000

     82       2.6313      2.00000

     83       2.6690      2.00000

     84       2.6973      2.00000

     85       2.7704      2.00000

     86       2.7786      2.00000

     87       2.8682      2.00000

     88       2.9431      2.00000

     89       3.0914      2.00000

     90       3.1361      2.00000

     91       3.1972      2.00000

     92       3.2463      2.00000

     93       3.2556      2.00000

     94       3.3096      2.00000

     95       3.3178      2.00000

     96       3.4607      2.00000

     97       3.5758      2.00000

     98       3.7143      2.00000

     99       3.8135      2.00000

    100       4.0625      2.00252

    101       4.1819      2.02284

    102       4.3653      2.04269

    103       4.4308      1.87380

    104       4.4697      1.67653

    105       4.7793     -0.06557

    106       4.8198     -0.06912

    107       4.8733     -0.04861

    108       4.8739     -0.04834

    109       4.9106     -0.03207

    110       4.9855     -0.01012

    111       5.1225     -0.00049

    112       5.2377     -0.00002

    113       5.2761     -0.00000

    114       5.3799     -0.00000

    115       5.5705     -0.00000

    116       5.5753     -0.00000

    117       5.6200     -0.00000

    118       5.7451     -0.00000

    119       5.8074     -0.00000

    120       5.9714     -0.00000

    121       6.0563     -0.00000

    122       6.0988     -0.00000

    123       6.1327     -0.00000

    124       6.1639     -0.00000

    125       6.1904     -0.00000

    126       6.2639     -0.00000

    127       6.2885     -0.00000

    128       6.4809     -0.00000



 k-point  26 :       0.0000    0.7937    0.0000

  band No.  band energies     occupation 

      1     -34.5265      2.00000

      2     -34.4646      2.00000

      3     -34.3849      2.00000

      4     -34.3627      2.00000

      5     -34.2614      2.00000

      6     -34.2265      2.00000

      7     -34.1882      2.00000

      8     -34.1677      2.00000

      9     -34.1635      2.00000

     10     -34.1430      2.00000

     11     -34.1222      2.00000

     12     -34.1042      2.00000

     13     -34.1034      2.00000

     14     -34.0283      2.00000

     15     -34.0050      2.00000

     16     -33.9622      2.00000

     17     -33.9277      2.00000

     18     -33.9244      2.00000

     19     -33.8848      2.00000

     20     -33.8714      2.00000

     21     -33.8474      2.00000

     22     -33.8248      2.00000

     23     -33.8088      2.00000

     24     -33.7504      2.00000

     25     -33.7427      2.00000

     26     -33.7330      2.00000

     27     -33.7119      2.00000

     28     -33.6980      2.00000

     29     -33.6858      2.00000

     30     -33.6803      2.00000

     31     -33.6462      2.00000

     32     -33.6069      2.00000

     33     -33.5937      2.00000

     34     -33.5906      2.00000

     35     -33.5565      2.00000

     36     -33.5285      2.00000

     37     -33.5124      2.00000

     38     -33.4485      2.00000

     39     -33.4379      2.00000

     40     -33.4241      2.00000

     41     -33.4204      2.00000

     42     -33.3999      2.00000

     43     -33.3824      2.00000

     44     -33.3799      2.00000

     45     -33.3710      2.00000

     46     -33.3185      2.00000

     47     -33.2927      2.00000

     48     -33.1802      2.00000

     49      -7.2875      2.00000

     50      -6.2705      2.00000

     51      -5.1003      2.00000

     52      -4.4196      2.00000

     53      -2.9850      2.00000

     54      -2.9255      2.00000

     55      -1.7699      2.00000

     56      -1.6458      2.00000

     57      -1.5970      2.00000

     58      -1.5267      2.00000

     59      -1.3815      2.00000

     60      -0.9568      2.00000

     61      -0.9143      2.00000

     62      -0.6930      2.00000

     63      -0.5202      2.00000

     64      -0.3818      2.00000

     65      -0.2714      2.00000

     66      -0.1748      2.00000

     67      -0.1466      2.00000

     68      -0.0437      2.00000

     69       0.0665      2.00000

     70       0.5712      2.00000

     71       0.7237      2.00000

     72       1.2081      2.00000

     73       1.2251      2.00000

     74       1.4110      2.00000

     75       1.4302      2.00000

     76       1.6026      2.00000

     77       1.7796      2.00000

     78       1.8178      2.00000

     79       1.8329      2.00000

     80       2.0194      2.00000

     81       2.1177      2.00000

     82       2.5508      2.00000

     83       2.6333      2.00000

     84       2.6864      2.00000

     85       2.7224      2.00000

     86       2.8541      2.00000

     87       2.8745      2.00000

     88       2.9448      2.00000

     89       3.0463      2.00000

     90       3.1709      2.00000

     91       3.2185      2.00000

     92       3.2237      2.00000

     93       3.2350      2.00000

     94       3.3241      2.00000

     95       3.3433      2.00000

     96       3.4933      2.00000

     97       3.5950      2.00000

     98       3.6555      2.00000

     99       3.7388      2.00000

    100       4.1245      2.00887

    101       4.1511      2.01413

    102       4.3863      2.00839

    103       4.4811      1.60501

    104       4.5040      1.44434

    105       4.7302     -0.00666

    106       4.7735     -0.06241

    107       4.7996     -0.07079

    108       4.8750     -0.04785

    109       4.9773     -0.01170

    110       4.9938     -0.00871

    111       5.1138     -0.00062

    112       5.2020     -0.00005

    113       5.2350     -0.00002

    114       5.3897     -0.00000

    115       5.4576     -0.00000

    116       5.5803     -0.00000

    117       5.6770     -0.00000

    118       5.7356     -0.00000

    119       5.8864     -0.00000

    120       5.9729     -0.00000

    121       6.0338     -0.00000

    122       6.0808     -0.00000

    123       6.1010     -0.00000

    124       6.1603     -0.00000

    125       6.1979     -0.00000

    126       6.2292     -0.00000

    127       6.3415     -0.00000

    128       6.5058     -0.00000



 k-point  27 :       0.0000    0.8254    0.0000

  band No.  band energies     occupation 

      1     -34.5344      2.00000

      2     -34.4668      2.00000

      3     -34.3917      2.00000

      4     -34.3552      2.00000

      5     -34.2689      2.00000

      6     -34.2312      2.00000

      7     -34.1708      2.00000

      8     -34.1662      2.00000

      9     -34.1629      2.00000

     10     -34.1414      2.00000

     11     -34.1133      2.00000

     12     -34.1087      2.00000

     13     -34.0981      2.00000

     14     -34.0191      2.00000

     15     -34.0067      2.00000

     16     -33.9503      2.00000

     17     -33.9253      2.00000

     18     -33.9111      2.00000

     19     -33.8953      2.00000

     20     -33.8683      2.00000

     21     -33.8616      2.00000

     22     -33.8116      2.00000

     23     -33.8040      2.00000

     24     -33.7505      2.00000

     25     -33.7494      2.00000

     26     -33.7336      2.00000

     27     -33.7320      2.00000

     28     -33.7072      2.00000

     29     -33.6834      2.00000

     30     -33.6790      2.00000

     31     -33.6588      2.00000

     32     -33.6066      2.00000

     33     -33.5999      2.00000

     34     -33.5882      2.00000

     35     -33.5484      2.00000

     36     -33.5343      2.00000

     37     -33.5318      2.00000

     38     -33.4414      2.00000

     39     -33.4371      2.00000

     40     -33.4332      2.00000

     41     -33.4218      2.00000

     42     -33.3975      2.00000

     43     -33.3819      2.00000

     44     -33.3725      2.00000

     45     -33.3714      2.00000

     46     -33.3114      2.00000

     47     -33.2896      2.00000

     48     -33.1724      2.00000

     49      -7.3096      2.00000

     50      -6.1873      2.00000

     51      -5.1869      2.00000

     52      -4.4546      2.00000

     53      -3.0183      2.00000

     54      -2.8154      2.00000

     55      -1.8022      2.00000

     56      -1.7171      2.00000

     57      -1.5598      2.00000

     58      -1.5002      2.00000

     59      -1.3794      2.00000

     60      -0.9705      2.00000

     61      -0.9240      2.00000

     62      -0.6791      2.00000

     63      -0.5680      2.00000

     64      -0.3199      2.00000

     65      -0.2031      2.00000

     66      -0.1520      2.00000

     67      -0.1162      2.00000

     68      -0.0580      2.00000

     69       0.1053      2.00000

     70       0.6232      2.00000

     71       0.7730      2.00000

     72       1.1901      2.00000

     73       1.2503      2.00000

     74       1.3953      2.00000

     75       1.4174      2.00000

     76       1.5441      2.00000

     77       1.7488      2.00000

     78       1.7847      2.00000

     79       1.8378      2.00000

     80       2.0593      2.00000

     81       2.0657      2.00000

     82       2.4711      2.00000

     83       2.5989      2.00000

     84       2.6458      2.00000

     85       2.6861      2.00000

     86       2.8421      2.00000

     87       2.9436      2.00000

     88       3.0005      2.00000

     89       3.0053      2.00000

     90       3.1335      2.00000

     91       3.1864      2.00000

     92       3.2421      2.00000

     93       3.3022      2.00000

     94       3.3338      2.00000

     95       3.3781      2.00000

     96       3.5275      2.00000

     97       3.6049      2.00000

     98       3.6124      2.00000

     99       3.6731      2.00000

    100       4.1243      2.00883

    101       4.1783      2.02166

    102       4.3479      2.05969

    103       4.5410      1.14923

    104       4.5880      0.75464

    105       4.6744      0.17967

    106       4.6757      0.17361

    107       4.7369     -0.01970

    108       4.8863     -0.04263

    109       5.0000     -0.00776

    110       5.0681     -0.00187

    111       5.1227     -0.00049

    112       5.1282     -0.00043

    113       5.2288     -0.00002

    114       5.3471     -0.00000

    115       5.3901     -0.00000

    116       5.5700     -0.00000

    117       5.7266     -0.00000

    118       5.7566     -0.00000

    119       5.9092     -0.00000

    120       5.9540     -0.00000

    121       6.0050     -0.00000

    122       6.0656     -0.00000

    123       6.1638     -0.00000

    124       6.2163     -0.00000

    125       6.2491     -0.00000

    126       6.3535     -0.00000

    127       6.3975     -0.00000

    128       6.5185     -0.00000



 k-point  28 :       0.0000    0.8571    0.0000

  band No.  band energies     occupation 

      1     -34.5409      2.00000

      2     -34.4687      2.00000

      3     -34.3974      2.00000

      4     -34.3476      2.00000

      5     -34.2765      2.00000

      6     -34.2354      2.00000

      7     -34.1734      2.00000

      8     -34.1660      2.00000

      9     -34.1428      2.00000

     10     -34.1382      2.00000

     11     -34.1163      2.00000

     12     -34.1041      2.00000

     13     -34.0898      2.00000

     14     -34.0145      2.00000

     15     -34.0031      2.00000

     16     -33.9381      2.00000

     17     -33.9240      2.00000

     18     -33.9061      2.00000

     19     -33.8999      2.00000

     20     -33.8856      2.00000

     21     -33.8515      2.00000

     22     -33.8139      2.00000

     23     -33.7829      2.00000

     24     -33.7585      2.00000

     25     -33.7561      2.00000

     26     -33.7505      2.00000

     27     -33.7298      2.00000

     28     -33.7174      2.00000

     29     -33.6856      2.00000

     30     -33.6726      2.00000

     31     -33.6701      2.00000

     32     -33.6076      2.00000

     33     -33.6043      2.00000

     34     -33.5865      2.00000

     35     -33.5505      2.00000

     36     -33.5455      2.00000

     37     -33.5341      2.00000

     38     -33.4425      2.00000

     39     -33.4380      2.00000

     40     -33.4340      2.00000

     41     -33.4226      2.00000

     42     -33.3954      2.00000

     43     -33.3815      2.00000

     44     -33.3717      2.00000

     45     -33.3662      2.00000

     46     -33.3053      2.00000

     47     -33.2870      2.00000

     48     -33.1660      2.00000

     49      -7.3280      2.00000

     50      -6.1020      2.00000

     51      -5.2761      2.00000

     52      -4.4838      2.00000

     53      -3.0461      2.00000

     54      -2.7049      2.00000

     55      -1.8296      2.00000

     56      -1.7953      2.00000

     57      -1.5875      2.00000

     58      -1.4156      2.00000

     59      -1.3659      2.00000

     60      -0.9841      2.00000

     61      -0.9329      2.00000

     62      -0.6678      2.00000

     63      -0.6262      2.00000

     64      -0.2583      2.00000

     65      -0.1455      2.00000

     66      -0.1241      2.00000

     67      -0.0895      2.00000

     68      -0.0684      2.00000

     69       0.1329      2.00000

     70       0.6804      2.00000

     71       0.8347      2.00000

     72       1.1608      2.00000

     73       1.2734      2.00000

     74       1.3866      2.00000

     75       1.4068      2.00000

     76       1.4855      2.00000

     77       1.7173      2.00000

     78       1.7570      2.00000

     79       1.8536      2.00000

     80       1.9844      2.00000

     81       2.1130      2.00000

     82       2.3931      2.00000

     83       2.5627      2.00000

     84       2.6080      2.00000

     85       2.6657      2.00000

     86       2.8322      2.00000

     87       2.9306      2.00000

     88       2.9654      2.00000

     89       3.1034      2.00000

     90       3.1345      2.00000

     91       3.1668      2.00000

     92       3.2483      2.00000

     93       3.3446      2.00000

     94       3.3672      2.00000

     95       3.4143      2.00000

     96       3.5492      2.00000

     97       3.5736      2.00000

     98       3.6196      2.00000

     99       3.6276      2.00000

    100       4.1013      2.00569

    101       4.2289      2.04166

    102       4.3051      2.07038

    103       4.5291      1.24706

    104       4.5687      0.91565

    105       4.6465      0.33025

    106       4.6926      0.10224

    107       4.7133      0.03427

    108       4.8986     -0.03711

    109       5.0053     -0.00702

    110       5.0407     -0.00343

    111       5.0788     -0.00146

    112       5.2148     -0.00004

    113       5.2297     -0.00002

    114       5.2588     -0.00001

    115       5.3879     -0.00000

    116       5.5537     -0.00000

    117       5.7174     -0.00000

    118       5.7883     -0.00000

    119       5.8302     -0.00000

    120       5.9957     -0.00000

    121       6.0778     -0.00000

    122       6.0875     -0.00000

    123       6.1445     -0.00000

    124       6.2663     -0.00000

    125       6.3102     -0.00000

    126       6.3813     -0.00000

    127       6.4312     -0.00000

    128       6.4839     -0.00000



 k-point  29 :       0.0000    0.8889    0.0000

  band No.  band energies     occupation 

      1     -34.5462      2.00000

      2     -34.4702      2.00000

      3     -34.4020      2.00000

      4     -34.3398      2.00000

      5     -34.2842      2.00000

      6     -34.2389      2.00000

      7     -34.1755      2.00000

      8     -34.1668      2.00000

      9     -34.1388      2.00000

     10     -34.1221      2.00000

     11     -34.1197      2.00000

     12     -34.0992      2.00000

     13     -34.0788      2.00000

     14     -34.0149      2.00000

     15     -33.9939      2.00000

     16     -33.9258      2.00000

     17     -33.9217      2.00000

     18     -33.9177      2.00000

     19     -33.9171      2.00000

     20     -33.8739      2.00000

     21     -33.8413      2.00000

     22     -33.8157      2.00000

     23     -33.7784      2.00000

     24     -33.7682      2.00000

     25     -33.7620      2.00000

     26     -33.7505      2.00000

     27     -33.7300      2.00000

     28     -33.7278      2.00000

     29     -33.6875      2.00000

     30     -33.6786      2.00000

     31     -33.6665      2.00000

     32     -33.6133      2.00000

     33     -33.6050      2.00000

     34     -33.5856      2.00000

     35     -33.5669      2.00000

     36     -33.5491      2.00000

     37     -33.5266      2.00000

     38     -33.4519      2.00000

     39     -33.4374      2.00000

     40     -33.4296      2.00000

     41     -33.4230      2.00000

     42     -33.3936      2.00000

     43     -33.3813      2.00000

     44     -33.3719      2.00000

     45     -33.3610      2.00000

     46     -33.3004      2.00000

     47     -33.2849      2.00000

     48     -33.1608      2.00000

     49      -7.3427      2.00000

     50      -6.0150      2.00000

     51      -5.3670      2.00000

     52      -4.5073      2.00000

     53      -3.0684      2.00000

     54      -2.5945      2.00000

     55      -1.8816      2.00000

     56      -1.8500      2.00000

     57      -1.6098      2.00000

     58      -1.3921      2.00000

     59      -1.2924      2.00000

     60      -0.9958      2.00000

     61      -0.9410      2.00000

     62      -0.6923      2.00000

     63      -0.6592      2.00000

     64      -0.2018      2.00000

     65      -0.1160      2.00000

     66      -0.0834      2.00000

     67      -0.0804      2.00000

     68      -0.0555      2.00000

     69       0.1477      2.00000

     70       0.7417      2.00000

     71       0.9095      2.00000

     72       1.1375      2.00000

     73       1.2562      2.00000

     74       1.3879      2.00000

     75       1.3984      2.00000

     76       1.4510      2.00000

     77       1.6850      2.00000

     78       1.7349      2.00000

     79       1.8431      2.00000

     80       1.9317      2.00000

     81       2.1609      2.00000

     82       2.3177      2.00000

     83       2.5208      2.00000

     84       2.5798      2.00000

     85       2.6608      2.00000

     86       2.8242      2.00000

     87       2.8933      2.00000

     88       2.9558      2.00000

     89       3.0808      2.00000

     90       3.1340      2.00000

     91       3.2524      2.00000

     92       3.2837      2.00000

     93       3.3548      2.00000

     94       3.4160      2.00000

     95       3.4526      2.00000

     96       3.5225      2.00000

     97       3.5623      2.00000

     98       3.6135      2.00000

     99       3.6405      2.00000

    100       4.0801      2.00369

    101       4.2694      2.05991

    102       4.2792      2.06373

    103       4.3857      2.00972

    104       4.5261      1.27196

    105       4.6804      0.15226

    106       4.7028      0.06625

    107       4.7984     -0.07070

    108       4.9043     -0.03469

    109       4.9701     -0.01323

    110       5.0019     -0.00749

    111       5.0565     -0.00243

    112       5.1600     -0.00018

    113       5.2344     -0.00002

    114       5.3643     -0.00000

    115       5.3855     -0.00000

    116       5.5359     -0.00000

    117       5.6691     -0.00000

    118       5.7042     -0.00000

    119       5.8940     -0.00000

    120       6.0394     -0.00000

    121       6.0755     -0.00000

    122       6.1251     -0.00000

    123       6.1558     -0.00000

    124       6.2962     -0.00000

    125       6.3745     -0.00000

    126       6.3955     -0.00000

    127       6.4531     -0.00000

    128       6.5122     -0.00000



 k-point  30 :       0.0000    0.9206    0.0000

  band No.  band energies     occupation 

      1     -34.5501      2.00000

      2     -34.4713      2.00000

      3     -34.4054      2.00000

      4     -34.3321      2.00000

      5     -34.2920      2.00000

      6     -34.2415      2.00000

      7     -34.1770      2.00000

      8     -34.1675      2.00000

      9     -34.1372      2.00000

     10     -34.1248      2.00000

     11     -34.1078      2.00000

     12     -34.0948      2.00000

     13     -34.0630      2.00000

     14     -34.0160      2.00000

     15     -33.9834      2.00000

     16     -33.9422      2.00000

     17     -33.9282      2.00000

     18     -33.9229      2.00000

     19     -33.9080      2.00000

     20     -33.8571      2.00000

     21     -33.8310      2.00000

     22     -33.8171      2.00000

     23     -33.7997      2.00000

     24     -33.7783      2.00000

     25     -33.7507      2.00000

     26     -33.7475      2.00000

     27     -33.7391      2.00000

     28     -33.7262      2.00000

     29     -33.6889      2.00000

     30     -33.6842      2.00000

     31     -33.6613      2.00000

     32     -33.6229      2.00000

     33     -33.6050      2.00000

     34     -33.5854      2.00000

     35     -33.5789      2.00000

     36     -33.5528      2.00000

     37     -33.5180      2.00000

     38     -33.4609      2.00000

     39     -33.4372      2.00000

     40     -33.4266      2.00000

     41     -33.4226      2.00000

     42     -33.3922      2.00000

     43     -33.3812      2.00000

     44     -33.3721      2.00000

     45     -33.3572      2.00000

     46     -33.2967      2.00000

     47     -33.2834      2.00000

     48     -33.1568      2.00000

     49      -7.3538      2.00000

     50      -5.9266      2.00000

     51      -5.4588      2.00000

     52      -4.5249      2.00000

     53      -3.0852      2.00000

     54      -2.4850      2.00000

     55      -1.9717      2.00000

     56      -1.8670      2.00000

     57      -1.6266      2.00000

     58      -1.3900      2.00000

     59      -1.1997      2.00000

     60      -1.0048      2.00000

     61      -0.9476      2.00000

     62      -0.7642      2.00000

     63      -0.6539      2.00000

     64      -0.1536      2.00000

     65      -0.0983      2.00000

     66      -0.0892      2.00000

     67      -0.0579      2.00000

     68      -0.0117      2.00000

     69       0.1492      2.00000

     70       0.8056      2.00000

     71       0.9950      2.00000

     72       1.1199      2.00000

     73       1.2045      2.00000

     74       1.3719      2.00000

     75       1.3920      2.00000

     76       1.4635      2.00000

     77       1.6490      2.00000

     78       1.7182      2.00000

     79       1.7669      2.00000

     80       1.9517      2.00000

     81       2.2089      2.00000

     82       2.2455      2.00000

     83       2.4747      2.00000

     84       2.5608      2.00000

     85       2.6682      2.00000

     86       2.8182      2.00000

     87       2.8513      2.00000

     88       2.9536      2.00000

     89       3.0645      2.00000

     90       3.1179      2.00000

     91       3.2548      2.00000

     92       3.3629      2.00000

     93       3.4047      2.00000

     94       3.4577      2.00000

     95       3.4971      2.00000

     96       3.4983      2.00000

     97       3.5300      2.00000

     98       3.6441      2.00000

     99       3.6506      2.00000

    100       4.0588      2.00232

    101       4.2170      2.03638

    102       4.2461      2.04956

    103       4.3566      2.05238

    104       4.4745      1.64711

    105       4.6982      0.08175

    106       4.7235      0.00802

    107       4.8736     -0.04849

    108       4.8907     -0.04065

    109       4.9429     -0.02047

    110       4.9739     -0.01240

    111       5.0332     -0.00401

    112       5.1293     -0.00041

    113       5.2409     -0.00002

    114       5.3828     -0.00000

    115       5.5002     -0.00000

    116       5.5211     -0.00000

    117       5.5504     -0.00000

    118       5.6894     -0.00000

    119       5.9443     -0.00000

    120       6.0807     -0.00000

    121       6.1260     -0.00000

    122       6.1536     -0.00000

    123       6.1939     -0.00000

    124       6.2250     -0.00000

    125       6.2685     -0.00000

    126       6.3633     -0.00000

    127       6.4236     -0.00000

    128       6.4537     -0.00000



 k-point  31 :       0.0000    0.9524    0.0000

  band No.  band energies     occupation 

      1     -34.5528      2.00000

      2     -34.4721      2.00000

      3     -34.4077      2.00000

      4     -34.3243      2.00000

      5     -34.2998      2.00000

      6     -34.2433      2.00000

      7     -34.1781      2.00000

      8     -34.1680      2.00000

      9     -34.1357      2.00000

     10     -34.1278      2.00000

     11     -34.1018      2.00000

     12     -34.0912      2.00000

     13     -34.0420      2.00000

     14     -34.0168      2.00000

     15     -33.9725      2.00000

     16     -33.9672      2.00000

     17     -33.9393      2.00000

     18     -33.9224      2.00000

     19     -33.8911      2.00000

     20     -33.8443      2.00000

     21     -33.8207      2.00000

     22     -33.8180      2.00000

     23     -33.8166      2.00000

     24     -33.7884      2.00000

     25     -33.7615      2.00000

     26     -33.7506      2.00000

     27     -33.7251      2.00000

     28     -33.7221      2.00000

     29     -33.6899      2.00000

     30     -33.6879      2.00000

     31     -33.6573      2.00000

     32     -33.6351      2.00000

     33     -33.6049      2.00000

     34     -33.5857      2.00000

     35     -33.5856      2.00000

     36     -33.5554      2.00000

     37     -33.5100      2.00000

     38     -33.4691      2.00000

     39     -33.4370      2.00000

     40     -33.4254      2.00000

     41     -33.4215      2.00000

     42     -33.3913      2.00000

     43     -33.3811      2.00000

     44     -33.3722      2.00000

     45     -33.3546      2.00000

     46     -33.2942      2.00000

     47     -33.2823      2.00000

     48     -33.1542      2.00000

     49      -7.3611      2.00000

     50      -5.8378      2.00000

     51      -5.5500      2.00000

     52      -4.5367      2.00000

     53      -3.0964      2.00000

     54      -2.3770      2.00000

     55      -2.0671      2.00000

     56      -1.8781      2.00000

     57      -1.6378      2.00000

     58      -1.3898      2.00000

     59      -1.1078      2.00000

     60      -1.0108      2.00000

     61      -0.9527      2.00000

     62      -0.8409      2.00000

     63      -0.6507      2.00000

     64      -0.1178      2.00000

     65      -0.0917      2.00000

     66      -0.0862      2.00000

     67      -0.0512      2.00000

     68       0.0352      2.00000

     69       0.1382      2.00000

     70       0.8695      2.00000

     71       1.0793      2.00000

     72       1.1082      2.00000

     73       1.1475      2.00000

     74       1.3402      2.00000

     75       1.3877      2.00000

     76       1.4962      2.00000

     77       1.6068      2.00000

     78       1.6928      2.00000

     79       1.7069      2.00000

     80       1.9946      2.00000

     81       2.1775      2.00000

     82       2.2555      2.00000

     83       2.4284      2.00000

     84       2.5488      2.00000

     85       2.6837      2.00000

     86       2.8130      2.00000

     87       2.8143      2.00000

     88       2.9527      2.00000

     89       3.0540      2.00000

     90       3.1070      2.00000

     91       3.2561      2.00000

     92       3.3682      2.00000

     93       3.4548      2.00000

     94       3.4813      2.00000

     95       3.4887      2.00000

     96       3.5067      2.00000

     97       3.6063      2.00000

     98       3.6581      2.00000

     99       3.6713      2.00000

    100       4.0387      2.00147

    101       4.0655      2.00270

    102       4.2362      2.04499

    103       4.4188      1.91919

    104       4.4324      1.86706

    105       4.7101      0.04349

    106       4.7502     -0.04028

    107       4.8214     -0.06877

    108       4.8499     -0.05912

    109       4.9454     -0.01970

    110       5.0183     -0.00544

    111       5.0601     -0.00224

    112       5.1228     -0.00049

    113       5.2472     -0.00001

    114       5.3799     -0.00000

    115       5.4264     -0.00000

    116       5.5115     -0.00000

    117       5.6470     -0.00000

    118       5.6767     -0.00000

    119       5.9783     -0.00000

    120       6.1069     -0.00000

    121       6.1083     -0.00000

    122       6.1228     -0.00000

    123       6.1923     -0.00000

    124       6.2591     -0.00000

    125       6.3596     -0.00000

    126       6.3788     -0.00000

    127       6.4361     -0.00000

    128       6.5251     -0.00000



 k-point  32 :       0.0000    0.9841    0.0000

  band No.  band energies     occupation 

      1     -34.5541      2.00000

      2     -34.4725      2.00000

      3     -34.4089      2.00000

      4     -34.3169      2.00000

      5     -34.3072      2.00000

      6     -34.2442      2.00000

      7     -34.1786      2.00000

      8     -34.1682      2.00000

      9     -34.1346      2.00000

     10     -34.1297      2.00000

     11     -34.0996      2.00000

     12     -34.0893      2.00000

     13     -34.0184      2.00000

     14     -34.0173      2.00000

     15     -33.9922      2.00000

     16     -33.9615      2.00000

     17     -33.9504      2.00000

     18     -33.9221      2.00000

     19     -33.8749      2.00000

     20     -33.8489      2.00000

     21     -33.8185      2.00000

     22     -33.8176      2.00000

     23     -33.8109      2.00000

     24     -33.7981      2.00000

     25     -33.7735      2.00000

     26     -33.7506      2.00000

     27     -33.7246      2.00000

     28     -33.7084      2.00000

     29     -33.6909      2.00000

     30     -33.6903      2.00000

     31     -33.6552      2.00000

     32     -33.6450      2.00000

     33     -33.6048      2.00000

     34     -33.5884      2.00000

     35     -33.5860      2.00000

     36     -33.5566      2.00000

     37     -33.5043      2.00000

     38     -33.4749      2.00000

     39     -33.4370      2.00000

     40     -33.4252      2.00000

     41     -33.4206      2.00000

     42     -33.3908      2.00000

     43     -33.3810      2.00000

     44     -33.3722      2.00000

     45     -33.3533      2.00000

     46     -33.2929      2.00000

     47     -33.2818      2.00000

     48     -33.1529      2.00000

     49      -7.3648      2.00000

     50      -5.7543      2.00000

     51      -5.6348      2.00000

     52      -4.5426      2.00000

     53      -3.1021      2.00000

     54      -2.2715      2.00000

     55      -2.1663      2.00000

     56      -1.8836      2.00000

     57      -1.6434      2.00000

     58      -1.3898      2.00000

     59      -1.0248      2.00000

     60      -1.0093      2.00000

     61      -0.9598      2.00000

     62      -0.9162      2.00000

     63      -0.6493      2.00000

     64      -0.1042      2.00000

     65      -0.0837      2.00000

     66      -0.0802      2.00000

     67      -0.0525      2.00000

     68       0.0741      2.00000

     69       0.1177      2.00000

     70       0.9226      2.00000

     71       1.0729      2.00000

     72       1.1024      2.00000

     73       1.1812      2.00000

     74       1.2960      2.00000

     75       1.3856      2.00000

     76       1.5294      2.00000

     77       1.5650      2.00000

     78       1.6516      2.00000

     79       1.7013      2.00000

     80       2.0434      2.00000

     81       2.1170      2.00000

     82       2.2941      2.00000

     83       2.3899      2.00000

     84       2.5430      2.00000

     85       2.6997      2.00000

     86       2.7860      2.00000

     87       2.8123      2.00000

     88       2.9523      2.00000

     89       3.0488      2.00000

     90       3.1014      2.00000

     91       3.2566      2.00000

     92       3.3708      2.00000

     93       3.4709      2.00000

     94       3.4736      2.00000

     95       3.4946      2.00000

     96       3.4989      2.00000

     97       3.6603      2.00000

     98       3.6874      2.00000

     99       3.7500      2.00000

    100       3.9146      2.00005

    101       4.0258      2.00108

    102       4.2347      2.04431

    103       4.4078      1.95480

    104       4.4694      1.67844

    105       4.7309     -0.00824

    106       4.7608     -0.05241

    107       4.7814     -0.06652

    108       4.7896     -0.06925

    109       4.9487     -0.01872

    110       5.0226     -0.00499

    111       5.1147     -0.00061

    112       5.1792     -0.00010

    113       5.2511     -0.00001

    114       5.3048     -0.00000

    115       5.3778     -0.00000

    116       5.5071     -0.00000

    117       5.6693     -0.00000

    118       5.7965     -0.00000

    119       5.9506     -0.00000

    120       5.9955     -0.00000

    121       6.1016     -0.00000

    122       6.1286     -0.00000

    123       6.1374     -0.00000

    124       6.2453     -0.00000

    125       6.3118     -0.00000

    126       6.4007     -0.00000

    127       6.4309     -0.00000

    128       6.4908     -0.00000



 k-point  33 :       0.0000    1.0159    0.0000

  band No.  band energies     occupation 

      1     -34.5541      2.00000

      2     -34.4725      2.00000

      3     -34.4089      2.00000

      4     -34.3169      2.00000

      5     -34.3072      2.00000

      6     -34.2442      2.00000

      7     -34.1786      2.00000

      8     -34.1682      2.00000

      9     -34.1346      2.00000

     10     -34.1297      2.00000

     11     -34.0996      2.00000

     12     -34.0893      2.00000

     13     -34.0184      2.00000

     14     -34.0173      2.00000

     15     -33.9922      2.00000

     16     -33.9615      2.00000

     17     -33.9504      2.00000

     18     -33.9221      2.00000

     19     -33.8749      2.00000

     20     -33.8489      2.00000

     21     -33.8185      2.00000

     22     -33.8176      2.00000

     23     -33.8109      2.00000

     24     -33.7981      2.00000

     25     -33.7735      2.00000

     26     -33.7506      2.00000

     27     -33.7246      2.00000

     28     -33.7084      2.00000

     29     -33.6909      2.00000

     30     -33.6903      2.00000

     31     -33.6552      2.00000

     32     -33.6450      2.00000

     33     -33.6048      2.00000

     34     -33.5884      2.00000

     35     -33.5860      2.00000

     36     -33.5566      2.00000

     37     -33.5043      2.00000

     38     -33.4749      2.00000

     39     -33.4370      2.00000

     40     -33.4252      2.00000

     41     -33.4206      2.00000

     42     -33.3908      2.00000

     43     -33.3810      2.00000

     44     -33.3722      2.00000

     45     -33.3533      2.00000

     46     -33.2929      2.00000

     47     -33.2818      2.00000

     48     -33.1529      2.00000

     49      -7.3648      2.00000

     50      -5.7543      2.00000

     51      -5.6348      2.00000

     52      -4.5426      2.00000

     53      -3.1021      2.00000

     54      -2.2715      2.00000

     55      -2.1663      2.00000

     56      -1.8836      2.00000

     57      -1.6434      2.00000

     58      -1.3898      2.00000

     59      -1.0248      2.00000

     60      -1.0093      2.00000

     61      -0.9598      2.00000

     62      -0.9162      2.00000

     63      -0.6493      2.00000

     64      -0.1042      2.00000

     65      -0.0837      2.00000

     66      -0.0802      2.00000

     67      -0.0525      2.00000

     68       0.0741      2.00000

     69       0.1177      2.00000

     70       0.9226      2.00000

     71       1.0729      2.00000

     72       1.1024      2.00000

     73       1.1812      2.00000

     74       1.2960      2.00000

     75       1.3856      2.00000

     76       1.5294      2.00000

     77       1.5650      2.00000

     78       1.6516      2.00000

     79       1.7013      2.00000

     80       2.0434      2.00000

     81       2.1170      2.00000

     82       2.2941      2.00000

     83       2.3899      2.00000

     84       2.5430      2.00000

     85       2.6997      2.00000

     86       2.7860      2.00000

     87       2.8123      2.00000

     88       2.9523      2.00000

     89       3.0488      2.00000

     90       3.1014      2.00000

     91       3.2566      2.00000

     92       3.3708      2.00000

     93       3.4709      2.00000

     94       3.4736      2.00000

     95       3.4946      2.00000

     96       3.4989      2.00000

     97       3.6603      2.00000

     98       3.6874      2.00000

     99       3.7500      2.00000

    100       3.9146      2.00005

    101       4.0258      2.00108

    102       4.2347      2.04431

    103       4.4078      1.95480

    104       4.4694      1.67844

    105       4.7309     -0.00824

    106       4.7608     -0.05241

    107       4.7814     -0.06652

    108       4.7896     -0.06925

    109       4.9487     -0.01872

    110       5.0226     -0.00499

    111       5.1147     -0.00061

    112       5.1791     -0.00010

    113       5.2511     -0.00001

    114       5.3048     -0.00000

    115       5.3778     -0.00000

    116       5.5071     -0.00000

    117       5.6693     -0.00000

    118       5.7965     -0.00000

    119       5.9506     -0.00000

    120       5.9956     -0.00000

    121       6.1012     -0.00000

    122       6.1304     -0.00000

    123       6.1602     -0.00000

    124       6.2965     -0.00000

    125       6.3354     -0.00000

    126       6.3629     -0.00000

    127       6.4343     -0.00000

    128       6.4656     -0.00000



 k-point  34 :       0.0000    1.0476    0.0000

  band No.  band energies     occupation 

      1     -34.5528      2.00000

      2     -34.4721      2.00000

      3     -34.4077      2.00000

      4     -34.3243      2.00000

      5     -34.2998      2.00000

      6     -34.2433      2.00000

      7     -34.1781      2.00000

      8     -34.1680      2.00000

      9     -34.1357      2.00000

     10     -34.1278      2.00000

     11     -34.1018      2.00000

     12     -34.0912      2.00000

     13     -34.0420      2.00000

     14     -34.0168      2.00000

     15     -33.9725      2.00000

     16     -33.9672      2.00000

     17     -33.9393      2.00000

     18     -33.9224      2.00000

     19     -33.8911      2.00000

     20     -33.8443      2.00000

     21     -33.8207      2.00000

     22     -33.8180      2.00000

     23     -33.8166      2.00000

     24     -33.7884      2.00000

     25     -33.7615      2.00000

     26     -33.7506      2.00000

     27     -33.7251      2.00000

     28     -33.7221      2.00000

     29     -33.6899      2.00000

     30     -33.6879      2.00000

     31     -33.6573      2.00000

     32     -33.6351      2.00000

     33     -33.6049      2.00000

     34     -33.5857      2.00000

     35     -33.5856      2.00000

     36     -33.5554      2.00000

     37     -33.5100      2.00000

     38     -33.4691      2.00000

     39     -33.4370      2.00000

     40     -33.4254      2.00000

     41     -33.4215      2.00000

     42     -33.3913      2.00000

     43     -33.3811      2.00000

     44     -33.3722      2.00000

     45     -33.3546      2.00000

     46     -33.2942      2.00000

     47     -33.2823      2.00000

     48     -33.1542      2.00000

     49      -7.3611      2.00000

     50      -5.8378      2.00000

     51      -5.5500      2.00000

     52      -4.5367      2.00000

     53      -3.0964      2.00000

     54      -2.3770      2.00000

     55      -2.0671      2.00000

     56      -1.8781      2.00000

     57      -1.6378      2.00000

     58      -1.3898      2.00000

     59      -1.1078      2.00000

     60      -1.0108      2.00000

     61      -0.9527      2.00000

     62      -0.8409      2.00000

     63      -0.6507      2.00000

     64      -0.1178      2.00000

     65      -0.0917      2.00000

     66      -0.0862      2.00000

     67      -0.0512      2.00000

     68       0.0352      2.00000

     69       0.1382      2.00000

     70       0.8695      2.00000

     71       1.0793      2.00000

     72       1.1082      2.00000

     73       1.1475      2.00000

     74       1.3402      2.00000

     75       1.3877      2.00000

     76       1.4962      2.00000

     77       1.6068      2.00000

     78       1.6928      2.00000

     79       1.7069      2.00000

     80       1.9946      2.00000

     81       2.1775      2.00000

     82       2.2555      2.00000

     83       2.4284      2.00000

     84       2.5488      2.00000

     85       2.6837      2.00000

     86       2.8130      2.00000

     87       2.8143      2.00000

     88       2.9527      2.00000

     89       3.0540      2.00000

     90       3.1070      2.00000

     91       3.2561      2.00000

     92       3.3682      2.00000

     93       3.4548      2.00000

     94       3.4813      2.00000

     95       3.4887      2.00000

     96       3.5067      2.00000

     97       3.6063      2.00000

     98       3.6581      2.00000

     99       3.6713      2.00000

    100       4.0387      2.00147

    101       4.0655      2.00270

    102       4.2362      2.04499

    103       4.4188      1.91919

    104       4.4324      1.86706

    105       4.7101      0.04349

    106       4.7502     -0.04028

    107       4.8214     -0.06877

    108       4.8499     -0.05912

    109       4.9454     -0.01970

    110       5.0183     -0.00544

    111       5.0601     -0.00224

    112       5.1228     -0.00049

    113       5.2472     -0.00001

    114       5.3799     -0.00000

    115       5.4264     -0.00000

    116       5.5115     -0.00000

    117       5.6470     -0.00000

    118       5.6766     -0.00000

    119       5.9784     -0.00000

    120       6.0681     -0.00000

    121       6.1073     -0.00000

    122       6.1104     -0.00000

    123       6.1583     -0.00000

    124       6.2454     -0.00000

    125       6.2771     -0.00000

    126       6.3942     -0.00000

    127       6.4254     -0.00000

    128       6.4474     -0.00000



 k-point  35 :       0.0000    1.0794    0.0000

  band No.  band energies     occupation 

      1     -34.5501      2.00000

      2     -34.4713      2.00000

      3     -34.4054      2.00000

      4     -34.3321      2.00000

      5     -34.2920      2.00000

      6     -34.2415      2.00000

      7     -34.1770      2.00000

      8     -34.1675      2.00000

      9     -34.1372      2.00000

     10     -34.1248      2.00000

     11     -34.1078      2.00000

     12     -34.0948      2.00000

     13     -34.0630      2.00000

     14     -34.0160      2.00000

     15     -33.9834      2.00000

     16     -33.9422      2.00000

     17     -33.9282      2.00000

     18     -33.9229      2.00000

     19     -33.9080      2.00000

     20     -33.8571      2.00000

     21     -33.8310      2.00000

     22     -33.8171      2.00000

     23     -33.7997      2.00000

     24     -33.7783      2.00000

     25     -33.7507      2.00000

     26     -33.7475      2.00000

     27     -33.7391      2.00000

     28     -33.7262      2.00000

     29     -33.6889      2.00000

     30     -33.6842      2.00000

     31     -33.6613      2.00000

     32     -33.6229      2.00000

     33     -33.6050      2.00000

     34     -33.5854      2.00000

     35     -33.5789      2.00000

     36     -33.5528      2.00000

     37     -33.5180      2.00000

     38     -33.4609      2.00000

     39     -33.4372      2.00000

     40     -33.4266      2.00000

     41     -33.4226      2.00000

     42     -33.3922      2.00000

     43     -33.3812      2.00000

     44     -33.3721      2.00000

     45     -33.3572      2.00000

     46     -33.2967      2.00000

     47     -33.2834      2.00000

     48     -33.1568      2.00000

     49      -7.3538      2.00000

     50      -5.9266      2.00000

     51      -5.4588      2.00000

     52      -4.5249      2.00000

     53      -3.0852      2.00000

     54      -2.4850      2.00000

     55      -1.9717      2.00000

     56      -1.8670      2.00000

     57      -1.6266      2.00000

     58      -1.3900      2.00000

     59      -1.1997      2.00000

     60      -1.0048      2.00000

     61      -0.9476      2.00000

     62      -0.7642      2.00000

     63      -0.6539      2.00000

     64      -0.1536      2.00000

     65      -0.0983      2.00000

     66      -0.0892      2.00000

     67      -0.0579      2.00000

     68      -0.0117      2.00000

     69       0.1492      2.00000

     70       0.8056      2.00000

     71       0.9950      2.00000

     72       1.1199      2.00000

     73       1.2045      2.00000

     74       1.3719      2.00000

     75       1.3920      2.00000

     76       1.4635      2.00000

     77       1.6490      2.00000

     78       1.7182      2.00000

     79       1.7669      2.00000

     80       1.9517      2.00000

     81       2.2089      2.00000

     82       2.2455      2.00000

     83       2.4747      2.00000

     84       2.5608      2.00000

     85       2.6682      2.00000

     86       2.8182      2.00000

     87       2.8513      2.00000

     88       2.9536      2.00000

     89       3.0645      2.00000

     90       3.1179      2.00000

     91       3.2548      2.00000

     92       3.3629      2.00000

     93       3.4047      2.00000

     94       3.4577      2.00000

     95       3.4971      2.00000

     96       3.4983      2.00000

     97       3.5300      2.00000

     98       3.6441      2.00000

     99       3.6506      2.00000

    100       4.0588      2.00232

    101       4.2170      2.03638

    102       4.2461      2.04956

    103       4.3566      2.05238

    104       4.4745      1.64711

    105       4.6982      0.08175

    106       4.7235      0.00802

    107       4.8736     -0.04849

    108       4.8907     -0.04065

    109       4.9429     -0.02047

    110       4.9739     -0.01240

    111       5.0332     -0.00401

    112       5.1293     -0.00041

    113       5.2409     -0.00002

    114       5.3828     -0.00000

    115       5.5002     -0.00000

    116       5.5211     -0.00000

    117       5.5505     -0.00000

    118       5.6894     -0.00000

    119       5.9441     -0.00000

    120       6.0708     -0.00000

    121       6.0897     -0.00000

    122       6.1236     -0.00000

    123       6.2215     -0.00000

    124       6.2624     -0.00000

    125       6.2977     -0.00000

    126       6.3465     -0.00000

    127       6.4019     -0.00000

    128       6.4754     -0.00000



 k-point  36 :       0.0000    1.1111    0.0000

  band No.  band energies     occupation 

      1     -34.5462      2.00000

      2     -34.4702      2.00000

      3     -34.4020      2.00000

      4     -34.3398      2.00000

      5     -34.2842      2.00000

      6     -34.2389      2.00000

      7     -34.1755      2.00000

      8     -34.1668      2.00000

      9     -34.1388      2.00000

     10     -34.1221      2.00000

     11     -34.1197      2.00000

     12     -34.0992      2.00000

     13     -34.0788      2.00000

     14     -34.0149      2.00000

     15     -33.9939      2.00000

     16     -33.9258      2.00000

     17     -33.9217      2.00000

     18     -33.9177      2.00000

     19     -33.9171      2.00000

     20     -33.8739      2.00000

     21     -33.8413      2.00000

     22     -33.8157      2.00000

     23     -33.7784      2.00000

     24     -33.7682      2.00000

     25     -33.7620      2.00000

     26     -33.7505      2.00000

     27     -33.7300      2.00000

     28     -33.7278      2.00000

     29     -33.6875      2.00000

     30     -33.6786      2.00000

     31     -33.6665      2.00000

     32     -33.6133      2.00000

     33     -33.6050      2.00000

     34     -33.5856      2.00000

     35     -33.5669      2.00000

     36     -33.5491      2.00000

     37     -33.5266      2.00000

     38     -33.4519      2.00000

     39     -33.4374      2.00000

     40     -33.4296      2.00000

     41     -33.4230      2.00000

     42     -33.3936      2.00000

     43     -33.3813      2.00000

     44     -33.3719      2.00000

     45     -33.3610      2.00000

     46     -33.3004      2.00000

     47     -33.2849      2.00000

     48     -33.1608      2.00000

     49      -7.3427      2.00000

     50      -6.0150      2.00000

     51      -5.3670      2.00000

     52      -4.5073      2.00000

     53      -3.0684      2.00000

     54      -2.5945      2.00000

     55      -1.8816      2.00000

     56      -1.8500      2.00000

     57      -1.6098      2.00000

     58      -1.3921      2.00000

     59      -1.2924      2.00000

     60      -0.9958      2.00000

     61      -0.9410      2.00000

     62      -0.6923      2.00000

     63      -0.6592      2.00000

     64      -0.2018      2.00000

     65      -0.1160      2.00000

     66      -0.0834      2.00000

     67      -0.0804      2.00000

     68      -0.0555      2.00000

     69       0.1477      2.00000

     70       0.7417      2.00000

     71       0.9095      2.00000

     72       1.1375      2.00000

     73       1.2562      2.00000

     74       1.3879      2.00000

     75       1.3984      2.00000

     76       1.4510      2.00000

     77       1.6850      2.00000

     78       1.7349      2.00000

     79       1.8431      2.00000

     80       1.9317      2.00000

     81       2.1609      2.00000

     82       2.3177      2.00000

     83       2.5208      2.00000

     84       2.5798      2.00000

     85       2.6608      2.00000

     86       2.8242      2.00000

     87       2.8933      2.00000

     88       2.9558      2.00000

     89       3.0808      2.00000

     90       3.1340      2.00000

     91       3.2524      2.00000

     92       3.2837      2.00000

     93       3.3548      2.00000

     94       3.4160      2.00000

     95       3.4526      2.00000

     96       3.5225      2.00000

     97       3.5623      2.00000

     98       3.6135      2.00000

     99       3.6405      2.00000

    100       4.0801      2.00369

    101       4.2694      2.05991

    102       4.2792      2.06373

    103       4.3857      2.00972

    104       4.5261      1.27196

    105       4.6804      0.15227

    106       4.7028      0.06625

    107       4.7984     -0.07070

    108       4.9043     -0.03469

    109       4.9701     -0.01323

    110       5.0019     -0.00749

    111       5.0565     -0.00243

    112       5.1600     -0.00018

    113       5.2344     -0.00002

    114       5.3643     -0.00000

    115       5.3855     -0.00000

    116       5.5359     -0.00000

    117       5.6691     -0.00000

    118       5.7042     -0.00000

    119       5.8940     -0.00000

    120       6.0381     -0.00000

    121       6.1008     -0.00000

    122       6.1533     -0.00000

    123       6.1985     -0.00000

    124       6.3422     -0.00000

    125       6.3678     -0.00000

    126       6.4017     -0.00000

    127       6.4627     -0.00000

    128       6.4865     -0.00000



 k-point  37 :       0.0000    1.1429    0.0000

  band No.  band energies     occupation 

      1     -34.5409      2.00000

      2     -34.4687      2.00000

      3     -34.3974      2.00000

      4     -34.3476      2.00000

      5     -34.2765      2.00000

      6     -34.2354      2.00000

      7     -34.1734      2.00000

      8     -34.1660      2.00000

      9     -34.1428      2.00000

     10     -34.1382      2.00000

     11     -34.1163      2.00000

     12     -34.1041      2.00000

     13     -34.0898      2.00000

     14     -34.0145      2.00000

     15     -34.0031      2.00000

     16     -33.9381      2.00000

     17     -33.9240      2.00000

     18     -33.9061      2.00000

     19     -33.8999      2.00000

     20     -33.8856      2.00000

     21     -33.8515      2.00000

     22     -33.8139      2.00000

     23     -33.7829      2.00000

     24     -33.7585      2.00000

     25     -33.7561      2.00000

     26     -33.7505      2.00000

     27     -33.7298      2.00000

     28     -33.7174      2.00000

     29     -33.6856      2.00000

     30     -33.6726      2.00000

     31     -33.6701      2.00000

     32     -33.6076      2.00000

     33     -33.6043      2.00000

     34     -33.5865      2.00000

     35     -33.5505      2.00000

     36     -33.5455      2.00000

     37     -33.5341      2.00000

     38     -33.4425      2.00000

     39     -33.4380      2.00000

     40     -33.4340      2.00000

     41     -33.4226      2.00000

     42     -33.3954      2.00000

     43     -33.3815      2.00000

     44     -33.3717      2.00000

     45     -33.3662      2.00000

     46     -33.3053      2.00000

     47     -33.2870      2.00000

     48     -33.1660      2.00000

     49      -7.3280      2.00000

     50      -6.1020      2.00000

     51      -5.2761      2.00000

     52      -4.4838      2.00000

     53      -3.0461      2.00000

     54      -2.7049      2.00000

     55      -1.8296      2.00000

     56      -1.7953      2.00000

     57      -1.5875      2.00000

     58      -1.4156      2.00000

     59      -1.3659      2.00000

     60      -0.9841      2.00000

     61      -0.9329      2.00000

     62      -0.6678      2.00000

     63      -0.6262      2.00000

     64      -0.2583      2.00000

     65      -0.1455      2.00000

     66      -0.1241      2.00000

     67      -0.0895      2.00000

     68      -0.0684      2.00000

     69       0.1329      2.00000

     70       0.6804      2.00000

     71       0.8347      2.00000

     72       1.1608      2.00000

     73       1.2734      2.00000

     74       1.3866      2.00000

     75       1.4068      2.00000

     76       1.4855      2.00000

     77       1.7173      2.00000

     78       1.7570      2.00000

     79       1.8536      2.00000

     80       1.9844      2.00000

     81       2.1130      2.00000

     82       2.3931      2.00000

     83       2.5627      2.00000

     84       2.6080      2.00000

     85       2.6657      2.00000

     86       2.8322      2.00000

     87       2.9306      2.00000

     88       2.9654      2.00000

     89       3.1034      2.00000

     90       3.1345      2.00000

     91       3.1668      2.00000

     92       3.2483      2.00000

     93       3.3446      2.00000

     94       3.3672      2.00000

     95       3.4143      2.00000

     96       3.5492      2.00000

     97       3.5736      2.00000

     98       3.6196      2.00000

     99       3.6276      2.00000

    100       4.1013      2.00569

    101       4.2289      2.04166

    102       4.3051      2.07038

    103       4.5291      1.24706

    104       4.5687      0.91565

    105       4.6465      0.33025

    106       4.6926      0.10224

    107       4.7133      0.03427

    108       4.8986     -0.03711

    109       5.0053     -0.00702

    110       5.0407     -0.00343

    111       5.0788     -0.00146

    112       5.2148     -0.00004

    113       5.2297     -0.00002

    114       5.2588     -0.00001

    115       5.3879     -0.00000

    116       5.5536     -0.00000

    117       5.7174     -0.00000

    118       5.7884     -0.00000

    119       5.8302     -0.00000

    120       5.9971     -0.00000

    121       6.0635     -0.00000

    122       6.0785     -0.00000

    123       6.1280     -0.00000

    124       6.2859     -0.00000

    125       6.3134     -0.00000

    126       6.4312     -0.00000

    127       6.4836     -0.00000

    128       6.5352     -0.00000



 k-point  38 :       0.0000    1.1746    0.0000

  band No.  band energies     occupation 

      1     -34.5344      2.00000

      2     -34.4668      2.00000

      3     -34.3917      2.00000

      4     -34.3552      2.00000

      5     -34.2689      2.00000

      6     -34.2312      2.00000

      7     -34.1708      2.00000

      8     -34.1662      2.00000

      9     -34.1629      2.00000

     10     -34.1414      2.00000

     11     -34.1133      2.00000

     12     -34.1087      2.00000

     13     -34.0981      2.00000

     14     -34.0191      2.00000

     15     -34.0067      2.00000

     16     -33.9503      2.00000

     17     -33.9253      2.00000

     18     -33.9111      2.00000

     19     -33.8953      2.00000

     20     -33.8683      2.00000

     21     -33.8616      2.00000

     22     -33.8116      2.00000

     23     -33.8040      2.00000

     24     -33.7505      2.00000

     25     -33.7494      2.00000

     26     -33.7336      2.00000

     27     -33.7320      2.00000

     28     -33.7072      2.00000

     29     -33.6834      2.00000

     30     -33.6790      2.00000

     31     -33.6588      2.00000

     32     -33.6066      2.00000

     33     -33.5999      2.00000

     34     -33.5882      2.00000

     35     -33.5484      2.00000

     36     -33.5343      2.00000

     37     -33.5318      2.00000

     38     -33.4414      2.00000

     39     -33.4371      2.00000

     40     -33.4332      2.00000

     41     -33.4218      2.00000

     42     -33.3975      2.00000

     43     -33.3819      2.00000

     44     -33.3725      2.00000

     45     -33.3714      2.00000

     46     -33.3114      2.00000

     47     -33.2896      2.00000

     48     -33.1724      2.00000

     49      -7.3096      2.00000

     50      -6.1873      2.00000

     51      -5.1869      2.00000

     52      -4.4546      2.00000

     53      -3.0183      2.00000

     54      -2.8154      2.00000

     55      -1.8022      2.00000

     56      -1.7171      2.00000

     57      -1.5598      2.00000

     58      -1.5002      2.00000

     59      -1.3794      2.00000

     60      -0.9705      2.00000

     61      -0.9240      2.00000

     62      -0.6791      2.00000

     63      -0.5680      2.00000

     64      -0.3199      2.00000

     65      -0.2031      2.00000

     66      -0.1520      2.00000

     67      -0.1162      2.00000

     68      -0.0580      2.00000

     69       0.1053      2.00000

     70       0.6232      2.00000

     71       0.7730      2.00000

     72       1.1901      2.00000

     73       1.2503      2.00000

     74       1.3953      2.00000

     75       1.4174      2.00000

     76       1.5441      2.00000

     77       1.7488      2.00000

     78       1.7847      2.00000

     79       1.8378      2.00000

     80       2.0593      2.00000

     81       2.0657      2.00000

     82       2.4711      2.00000

     83       2.5989      2.00000

     84       2.6458      2.00000

     85       2.6861      2.00000

     86       2.8421      2.00000

     87       2.9436      2.00000

     88       3.0005      2.00000

     89       3.0053      2.00000

     90       3.1335      2.00000

     91       3.1864      2.00000

     92       3.2421      2.00000

     93       3.3022      2.00000

     94       3.3338      2.00000

     95       3.3781      2.00000

     96       3.5275      2.00000

     97       3.6049      2.00000

     98       3.6124      2.00000

     99       3.6731      2.00000

    100       4.1243      2.00883

    101       4.1783      2.02166

    102       4.3479      2.05969

    103       4.5410      1.14922

    104       4.5880      0.75464

    105       4.6744      0.17967

    106       4.6757      0.17361

    107       4.7369     -0.01970

    108       4.8863     -0.04263

    109       5.0000     -0.00776

    110       5.0681     -0.00187

    111       5.1227     -0.00049

    112       5.1282     -0.00043

    113       5.2288     -0.00002

    114       5.3471     -0.00000

    115       5.3901     -0.00000

    116       5.5699     -0.00000

    117       5.7265     -0.00000

    118       5.7566     -0.00000

    119       5.9089     -0.00000

    120       5.9538     -0.00000

    121       6.0052     -0.00000

    122       6.0429     -0.00000

    123       6.1081     -0.00000

    124       6.1598     -0.00000

    125       6.2489     -0.00000

    126       6.3830     -0.00000

    127       6.4042     -0.00000

    128       6.5160     -0.00000



 k-point  39 :       0.0000    1.2063    0.0000

  band No.  band energies     occupation 

      1     -34.5265      2.00000

      2     -34.4646      2.00000

      3     -34.3849      2.00000

      4     -34.3627      2.00000

      5     -34.2614      2.00000

      6     -34.2265      2.00000

      7     -34.1882      2.00000

      8     -34.1677      2.00000

      9     -34.1635      2.00000

     10     -34.1430      2.00000

     11     -34.1222      2.00000

     12     -34.1042      2.00000

     13     -34.1034      2.00000

     14     -34.0283      2.00000

     15     -34.0050      2.00000

     16     -33.9622      2.00000

     17     -33.9277      2.00000

     18     -33.9244      2.00000

     19     -33.8848      2.00000

     20     -33.8714      2.00000

     21     -33.8474      2.00000

     22     -33.8248      2.00000

     23     -33.8088      2.00000

     24     -33.7504      2.00000

     25     -33.7427      2.00000

     26     -33.7330      2.00000

     27     -33.7119      2.00000

     28     -33.6980      2.00000

     29     -33.6858      2.00000

     30     -33.6803      2.00000

     31     -33.6462      2.00000

     32     -33.6069      2.00000

     33     -33.5937      2.00000

     34     -33.5906      2.00000

     35     -33.5565      2.00000

     36     -33.5285      2.00000

     37     -33.5124      2.00000

     38     -33.4485      2.00000

     39     -33.4379      2.00000

     40     -33.4241      2.00000

     41     -33.4204      2.00000

     42     -33.3999      2.00000

     43     -33.3824      2.00000

     44     -33.3799      2.00000

     45     -33.3710      2.00000

     46     -33.3185      2.00000

     47     -33.2927      2.00000

     48     -33.1802      2.00000

     49      -7.2875      2.00000

     50      -6.2705      2.00000

     51      -5.1003      2.00000

     52      -4.4196      2.00000

     53      -2.9850      2.00000

     54      -2.9255      2.00000

     55      -1.7699      2.00000

     56      -1.6458      2.00000

     57      -1.5970      2.00000

     58      -1.5267      2.00000

     59      -1.3815      2.00000

     60      -0.9568      2.00000

     61      -0.9143      2.00000

     62      -0.6930      2.00000

     63      -0.5202      2.00000

     64      -0.3818      2.00000

     65      -0.2714      2.00000

     66      -0.1748      2.00000

     67      -0.1466      2.00000

     68      -0.0437      2.00000

     69       0.0665      2.00000

     70       0.5712      2.00000

     71       0.7237      2.00000

     72       1.2081      2.00000

     73       1.2251      2.00000

     74       1.4110      2.00000

     75       1.4302      2.00000

     76       1.6026      2.00000

     77       1.7796      2.00000

     78       1.8178      2.00000

     79       1.8329      2.00000

     80       2.0194      2.00000

     81       2.1177      2.00000

     82       2.5508      2.00000

     83       2.6333      2.00000

     84       2.6864      2.00000

     85       2.7224      2.00000

     86       2.8541      2.00000

     87       2.8745      2.00000

     88       2.9448      2.00000

     89       3.0463      2.00000

     90       3.1709      2.00000

     91       3.2185      2.00000

     92       3.2237      2.00000

     93       3.2350      2.00000

     94       3.3241      2.00000

     95       3.3433      2.00000

     96       3.4933      2.00000

     97       3.5950      2.00000

     98       3.6555      2.00000

     99       3.7388      2.00000

    100       4.1245      2.00887

    101       4.1511      2.01413

    102       4.3863      2.00839

    103       4.4811      1.60501

    104       4.5040      1.44434

    105       4.7302     -0.00666

    106       4.7735     -0.06241

    107       4.7996     -0.07079

    108       4.8750     -0.04785

    109       4.9773     -0.01170

    110       4.9938     -0.00871

    111       5.1138     -0.00062

    112       5.2020     -0.00005

    113       5.2350     -0.00002

    114       5.3897     -0.00000

    115       5.4576     -0.00000

    116       5.5803     -0.00000

    117       5.6770     -0.00000

    118       5.7357     -0.00000

    119       5.8863     -0.00000

    120       5.9723     -0.00000

    121       6.0338     -0.00000

    122       6.0656     -0.00000

    123       6.0981     -0.00000

    124       6.1454     -0.00000

    125       6.1885     -0.00000

    126       6.2053     -0.00000

    127       6.3574     -0.00000

    128       6.4201     -0.00000



 k-point  40 :       0.0000    1.2381    0.0000

  band No.  band energies     occupation 

      1     -34.5174      2.00000

      2     -34.4620      2.00000

      3     -34.3770      2.00000

      4     -34.3700      2.00000

      5     -34.2542      2.00000

      6     -34.2231      2.00000

      7     -34.2103      2.00000

      8     -34.1641      2.00000

      9     -34.1624      2.00000

     10     -34.1446      2.00000

     11     -34.1346      2.00000

     12     -34.1091      2.00000

     13     -34.0960      2.00000

     14     -34.0382      2.00000

     15     -34.0019      2.00000

     16     -33.9749      2.00000

     17     -33.9372      2.00000

     18     -33.9276      2.00000

     19     -33.8822      2.00000

     20     -33.8732      2.00000

     21     -33.8465      2.00000

     22     -33.8270      2.00000

     23     -33.8056      2.00000

     24     -33.7504      2.00000

     25     -33.7425      2.00000

     26     -33.7293      2.00000

     27     -33.6954      2.00000

     28     -33.6914      2.00000

     29     -33.6842      2.00000

     30     -33.6771      2.00000

     31     -33.6342      2.00000

     32     -33.6075      2.00000

     33     -33.5937      2.00000

     34     -33.5853      2.00000

     35     -33.5653      2.00000

     36     -33.5215      2.00000

     37     -33.4933      2.00000

     38     -33.4570      2.00000

     39     -33.4386      2.00000

     40     -33.4185      2.00000

     41     -33.4155      2.00000

     42     -33.4020      2.00000

     43     -33.3888      2.00000

     44     -33.3829      2.00000

     45     -33.3704      2.00000

     46     -33.3265      2.00000

     47     -33.2963      2.00000

     48     -33.1891      2.00000

     49      -7.2619      2.00000

     50      -6.3515      2.00000

     51      -5.0173      2.00000

     52      -4.3790      2.00000

     53      -3.0348      2.00000

     54      -2.9465      2.00000

     55      -1.7331      2.00000

     56      -1.6953      2.00000

     57      -1.5823      2.00000

     58      -1.4884      2.00000

     59      -1.3826      2.00000

     60      -0.9473      2.00000

     61      -0.9025      2.00000

     62      -0.7077      2.00000

     63      -0.5006      2.00000

     64      -0.4240      2.00000

     65      -0.3441      2.00000

     66      -0.2011      2.00000

     67      -0.1719      2.00000

     68      -0.0272      2.00000

     69       0.0191      2.00000

     70       0.5244      2.00000

     71       0.6854      2.00000

     72       1.1594      2.00000

     73       1.2658      2.00000

     74       1.4289      2.00000

     75       1.4451      2.00000

     76       1.6459      2.00000

     77       1.7932      2.00000

     78       1.8561      2.00000

     79       1.8667      2.00000

     80       1.9745      2.00000

     81       2.1546      2.00000

     82       2.6313      2.00000

     83       2.6690      2.00000

     84       2.6973      2.00000

     85       2.7704      2.00000

     86       2.7786      2.00000

     87       2.8682      2.00000

     88       2.9431      2.00000

     89       3.0914      2.00000

     90       3.1361      2.00000

     91       3.1972      2.00000

     92       3.2463      2.00000

     93       3.2556      2.00000

     94       3.3096      2.00000

     95       3.3178      2.00000

     96       3.4607      2.00000

     97       3.5758      2.00000

     98       3.7143      2.00000

     99       3.8135      2.00000

    100       4.0625      2.00252

    101       4.1819      2.02284

    102       4.3653      2.04269

    103       4.4308      1.87380

    104       4.4697      1.67653

    105       4.7793     -0.06557

    106       4.8198     -0.06912

    107       4.8733     -0.04861

    108       4.8739     -0.04835

    109       4.9106     -0.03207

    110       4.9855     -0.01012

    111       5.1225     -0.00049

    112       5.2377     -0.00002

    113       5.2761     -0.00000

    114       5.3799     -0.00000

    115       5.5704     -0.00000

    116       5.5753     -0.00000

    117       5.6200     -0.00000

    118       5.7452     -0.00000

    119       5.8073     -0.00000

    120       5.9716     -0.00000

    121       6.0750     -0.00000

    122       6.0996     -0.00000

    123       6.1326     -0.00000

    124       6.1637     -0.00000

    125       6.1696     -0.00000

    126       6.2534     -0.00000

    127       6.2913     -0.00000

    128       6.4331     -0.00000



 k-point  41 :       0.0000    1.2698    0.0000

  band No.  band energies     occupation 

      1     -34.5071      2.00000

      2     -34.4591      2.00000

      3     -34.3772      2.00000

      4     -34.3680      2.00000

      5     -34.2483      2.00000

      6     -34.2374      2.00000

      7     -34.2134      2.00000

      8     -34.1616      2.00000

      9     -34.1598      2.00000

     10     -34.1509      2.00000

     11     -34.1433      2.00000

     12     -34.1135      2.00000

     13     -34.0876      2.00000

     14     -34.0480      2.00000

     15     -33.9982      2.00000

     16     -33.9894      2.00000

     17     -33.9443      2.00000

     18     -33.9294      2.00000

     19     -33.8914      2.00000

     20     -33.8666      2.00000

     21     -33.8633      2.00000

     22     -33.8099      2.00000

     23     -33.8020      2.00000

     24     -33.7505      2.00000

     25     -33.7460      2.00000

     26     -33.7248      2.00000

     27     -33.6950      2.00000

     28     -33.6854      2.00000

     29     -33.6733      2.00000

     30     -33.6638      2.00000

     31     -33.6240      2.00000

     32     -33.6082      2.00000

     33     -33.5973      2.00000

     34     -33.5743      2.00000

     35     -33.5737      2.00000

     36     -33.5143      2.00000

     37     -33.4758      2.00000

     38     -33.4666      2.00000

     39     -33.4396      2.00000

     40     -33.4152      2.00000

     41     -33.4111      2.00000

     42     -33.4007      2.00000

     43     -33.3984      2.00000

     44     -33.3839      2.00000

     45     -33.3694      2.00000

     46     -33.3353      2.00000

     47     -33.3003      2.00000

     48     -33.1991      2.00000

     49      -7.2326      2.00000

     50      -6.4300      2.00000

     51      -4.9391      2.00000

     52      -4.3330      2.00000

     53      -3.1426      2.00000

     54      -2.9028      2.00000

     55      -1.7933      2.00000

     56      -1.6917      2.00000

     57      -1.5282      2.00000

     58      -1.4451      2.00000

     59      -1.3829      2.00000

     60      -0.9482      2.00000

     61      -0.8857      2.00000

     62      -0.7220      2.00000

     63      -0.5384      2.00000

     64      -0.4203      2.00000

     65      -0.4134      2.00000

     66      -0.2354      2.00000

     67      -0.1845      2.00000

     68      -0.0357      2.00000

     69      -0.0074      2.00000

     70       0.4815      2.00000

     71       0.6572      2.00000

     72       1.1086      2.00000

     73       1.3119      2.00000

     74       1.4480      2.00000

     75       1.4621      2.00000

     76       1.6698      2.00000

     77       1.7946      2.00000

     78       1.8970      2.00000

     79       1.9335      2.00000

     80       1.9352      2.00000

     81       2.1726      2.00000

     82       2.5971      2.00000

     83       2.7080      2.00000

     84       2.7113      2.00000

     85       2.7961      2.00000

     86       2.8200      2.00000

     87       2.8840      2.00000

     88       2.9423      2.00000

     89       3.0440      2.00000

     90       3.1335      2.00000

     91       3.1880      2.00000

     92       3.2712      2.00000

     93       3.2891      2.00000

     94       3.3020      2.00000

     95       3.3273      2.00000

     96       3.4320      2.00000

     97       3.5556      2.00000

     98       3.7799      2.00000

     99       3.8956      2.00003

    100       3.9905      2.00044

    101       4.2142      2.03515

    102       4.2878      2.06660

    103       4.3656      2.04235

    104       4.5082      1.41265

    105       4.7992     -0.07076

    106       4.8074     -0.07081

    107       4.8592     -0.05505

    108       4.9070     -0.03353

    109       4.9448     -0.01988

    110       5.0125     -0.00611

    111       5.1383     -0.00033

    112       5.2553     -0.00001

    113       5.3022     -0.00000

    114       5.3606     -0.00000

    115       5.5011     -0.00000

    116       5.6366     -0.00000

    117       5.7025     -0.00000

    118       5.7120     -0.00000

    119       5.7942     -0.00000

    120       5.9834     -0.00000

    121       6.0542     -0.00000

    122       6.0621     -0.00000

    123       6.0993     -0.00000

    124       6.1225     -0.00000

    125       6.2170     -0.00000

    126       6.2973     -0.00000

    127       6.3647     -0.00000

    128       6.4755     -0.00000



 k-point  42 :       0.0000    1.3016    0.0000

  band No.  band energies     occupation 

      1     -34.4956      2.00000

      2     -34.4559      2.00000

      3     -34.3841      2.00000

      4     -34.3580      2.00000

      5     -34.2631      2.00000

      6     -34.2389      2.00000

      7     -34.2089      2.00000

      8     -34.1654      2.00000

      9     -34.1607      2.00000

     10     -34.1554      2.00000

     11     -34.1436      2.00000

     12     -34.1178      2.00000

     13     -34.0781      2.00000

     14     -34.0577      2.00000

     15     -34.0051      2.00000

     16     -33.9939      2.00000

     17     -33.9483      2.00000

     18     -33.9312      2.00000

     19     -33.9006      2.00000

     20     -33.8866      2.00000

     21     -33.8533      2.00000

     22     -33.7981      2.00000

     23     -33.7953      2.00000

     24     -33.7507      2.00000

     25     -33.7504      2.00000

     26     -33.7243      2.00000

     27     -33.6943      2.00000

     28     -33.6754      2.00000

     29     -33.6692      2.00000

     30     -33.6433      2.00000

     31     -33.6154      2.00000

     32     -33.6090      2.00000

     33     -33.6014      2.00000

     34     -33.5829      2.00000

     35     -33.5596      2.00000

     36     -33.5069      2.00000

     37     -33.4779      2.00000

     38     -33.4602      2.00000

     39     -33.4410      2.00000

     40     -33.4129      2.00000

     41     -33.4101      2.00000

     42     -33.4088      2.00000

     43     -33.3936      2.00000

     44     -33.3855      2.00000

     45     -33.3679      2.00000

     46     -33.3444      2.00000

     47     -33.3049      2.00000

     48     -33.2103      2.00000

     49      -7.1999      2.00000

     50      -6.5059      2.00000

     51      -4.8668      2.00000

     52      -4.2815      2.00000

     53      -3.2486      2.00000

     54      -2.8540      2.00000

     55      -1.8902      2.00000

     56      -1.6469      2.00000

     57      -1.4853      2.00000

     58      -1.3981      2.00000

     59      -1.3797      2.00000

     60      -0.9608      2.00000

     61      -0.8657      2.00000

     62      -0.7390      2.00000

     63      -0.5835      2.00000

     64      -0.4978      2.00000

     65      -0.3944      2.00000

     66      -0.2701      2.00000

     67      -0.1881      2.00000

     68      -0.0929      2.00000

     69       0.0130      2.00000

     70       0.4405      2.00000

     71       0.6385      2.00000

     72       1.0580      2.00000

     73       1.3637      2.00000

     74       1.4681      2.00000

     75       1.4812      2.00000

     76       1.6794      2.00000

     77       1.7968      2.00000

     78       1.8843      2.00000

     79       1.9528      2.00000

     80       2.0181      2.00000

     81       2.1770      2.00000

     82       2.4779      2.00000

     83       2.7492      2.00000

     84       2.7894      2.00000

     85       2.8351      2.00000

     86       2.8519      2.00000

     87       2.8972      2.00000

     88       2.9528      2.00000

     89       2.9549      2.00000

     90       3.1696      2.00000

     91       3.1746      2.00000

     92       3.2393      2.00000

     93       3.2974      2.00000

     94       3.3462      2.00000

     95       3.3800      2.00000

     96       3.4168      2.00000

     97       3.5358      2.00000

     98       3.8514      2.00001

     99       3.9115      2.00005

    100       3.9834      2.00037

    101       4.1881      2.02496

    102       4.2601      2.05593

    103       4.2997      2.06955

    104       4.5509      1.06596

    105       4.7417     -0.02786

    106       4.8059     -0.07088

    107       4.9073     -0.03341

    108       4.9338     -0.02340

    109       4.9623     -0.01508

    110       5.0589     -0.00230

    111       5.1614     -0.00017

    112       5.2576     -0.00001

    113       5.2789     -0.00000

    114       5.3596     -0.00000

    115       5.4328     -0.00000

    116       5.5853     -0.00000

    117       5.7436     -0.00000

    118       5.8342     -0.00000

    119       5.8416     -0.00000

    120       5.9792     -0.00000

    121       6.0062     -0.00000

    122       6.0508     -0.00000

    123       6.0738     -0.00000

    124       6.1392     -0.00000

    125       6.1655     -0.00000

    126       6.2354     -0.00000

    127       6.4108     -0.00000

    128       6.4333     -0.00000



 k-point  43 :       0.0000    1.3333    0.0000

  band No.  band energies     occupation 

      1     -34.4829      2.00000

      2     -34.4524      2.00000

      3     -34.3908      2.00000

      4     -34.3471      2.00000

      5     -34.2860      2.00000

      6     -34.2327      2.00000

      7     -34.2062      2.00000

      8     -34.1791      2.00000

      9     -34.1601      2.00000

     10     -34.1505      2.00000

     11     -34.1420      2.00000

     12     -34.1220      2.00000

     13     -34.0677      2.00000

     14     -34.0670      2.00000

     15     -34.0213      2.00000

     16     -33.9892      2.00000

     17     -33.9502      2.00000

     18     -33.9331      2.00000

     19     -33.9096      2.00000

     20     -33.9061      2.00000

     21     -33.8435      2.00000

     22     -33.7937      2.00000

     23     -33.7835      2.00000

     24     -33.7557      2.00000

     25     -33.7508      2.00000

     26     -33.7279      2.00000

     27     -33.6897      2.00000

     28     -33.6646      2.00000

     29     -33.6644      2.00000

     30     -33.6257      2.00000

     31     -33.6103      2.00000

     32     -33.6059      2.00000

     33     -33.6051      2.00000

     34     -33.5914      2.00000

     35     -33.5436      2.00000

     36     -33.4997      2.00000

     37     -33.4897      2.00000

     38     -33.4490      2.00000

     39     -33.4436      2.00000

     40     -33.4197      2.00000

     41     -33.4164      2.00000

     42     -33.4022      2.00000

     43     -33.3881      2.00000

     44     -33.3852      2.00000

     45     -33.3651      2.00000

     46     -33.3533      2.00000

     47     -33.3099      2.00000

     48     -33.2225      2.00000

     49      -7.1636      2.00000

     50      -6.5791      2.00000

     51      -4.8017      2.00000

     52      -4.2247      2.00000

     53      -3.3523      2.00000

     54      -2.8002      2.00000

     55      -1.9855      2.00000

     56      -1.6002      2.00000

     57      -1.4565      2.00000

     58      -1.3737      2.00000

     59      -1.3426      2.00000

     60      -0.9824      2.00000

     61      -0.8517      2.00000

     62      -0.7617      2.00000

     63      -0.6066      2.00000

     64      -0.5752      2.00000

     65      -0.3918      2.00000

     66      -0.2932      2.00000

     67      -0.1863      2.00000

     68      -0.1519      2.00000

     69       0.0358      2.00000

     70       0.4002      2.00000

     71       0.6286      2.00000

     72       1.0089      2.00000

     73       1.4208      2.00000

     74       1.4891      2.00000

     75       1.5026      2.00000

     76       1.6798      2.00000

     77       1.8015      2.00000

     78       1.8443      2.00000

     79       2.0060      2.00000

     80       2.1065      2.00000

     81       2.1730      2.00000

     82       2.3607      2.00000

     83       2.7913      2.00000

     84       2.8441      2.00000

     85       2.8489      2.00000

     86       2.8638      2.00000

     87       2.8733      2.00000

     88       2.9355      2.00000

     89       2.9855      2.00000

     90       3.1561      2.00000

     91       3.2065      2.00000

     92       3.2093      2.00000

     93       3.2954      2.00000

     94       3.3820      2.00000

     95       3.3919      2.00000

     96       3.4736      2.00000

     97       3.5203      2.00000

     98       3.8306      2.00000

     99       3.9275      2.00008

    100       4.0662      2.00274

    101       4.1057      2.00621

    102       4.2273      2.04091

    103       4.2952      2.06859

    104       4.5924      0.71879

    105       4.7073      0.05200

    106       4.7913     -0.06964

    107       4.9154     -0.03013

    108       4.9601     -0.01562

    109       5.0200     -0.00526

    110       5.0882     -0.00117

    111       5.1783     -0.00011

    112       5.1873     -0.00008

    113       5.3062     -0.00000

    114       5.3419     -0.00000

    115       5.3966     -0.00000

    116       5.5010     -0.00000

    117       5.8039     -0.00000

    118       5.8948     -0.00000

    119       5.9051     -0.00000

    120       5.9909     -0.00000

    121       6.0278     -0.00000

    122       6.0599     -0.00000

    123       6.0717     -0.00000

    124       6.0843     -0.00000

    125       6.1545     -0.00000

    126       6.1919     -0.00000

    127       6.3596     -0.00000

    128       6.4315     -0.00000



 k-point  44 :       0.0000    1.3651    0.0000

  band No.  band energies     occupation 

      1     -34.4691      2.00000

      2     -34.4487      2.00000

      3     -34.3972      2.00000

      4     -34.3352      2.00000

      5     -34.3086      2.00000

      6     -34.2266      2.00000

      7     -34.2106      2.00000

      8     -34.1870      2.00000

      9     -34.1590      2.00000

     10     -34.1452      2.00000

     11     -34.1388      2.00000

     12     -34.1261      2.00000

     13     -34.0760      2.00000

     14     -34.0563      2.00000

     15     -34.0373      2.00000

     16     -33.9842      2.00000

     17     -33.9506      2.00000

     18     -33.9352      2.00000

     19     -33.9249      2.00000

     20     -33.9183      2.00000

     21     -33.8341      2.00000

     22     -33.7891      2.00000

     23     -33.7745      2.00000

     24     -33.7612      2.00000

     25     -33.7511      2.00000

     26     -33.7335      2.00000

     27     -33.6833      2.00000

     28     -33.6595      2.00000

     29     -33.6527      2.00000

     30     -33.6138      2.00000

     31     -33.6114      2.00000

     32     -33.6106      2.00000

     33     -33.5997      2.00000

     34     -33.5899      2.00000

     35     -33.5268      2.00000

     36     -33.5025      2.00000

     37     -33.4929      2.00000

     38     -33.4489      2.00000

     39     -33.4417      2.00000

     40     -33.4293      2.00000

     41     -33.4203      2.00000

     42     -33.3944      2.00000

     43     -33.3915      2.00000

     44     -33.3767      2.00000

     45     -33.3618      2.00000

     46     -33.3591      2.00000

     47     -33.3153      2.00000

     48     -33.2358      2.00000

     49      -7.1238      2.00000

     50      -6.6494      2.00000

     51      -4.7451      2.00000

     52      -4.1628      2.00000

     53      -3.4534      2.00000

     54      -2.7417      2.00000

     55      -2.0787      2.00000

     56      -1.5557      2.00000

     57      -1.4389      2.00000

     58      -1.3567      2.00000

     59      -1.2860      2.00000

     60      -1.0102      2.00000

     61      -0.8679      2.00000

     62      -0.7671      2.00000

     63      -0.6564      2.00000

     64      -0.5983      2.00000

     65      -0.4150      2.00000

     66      -0.2963      2.00000

     67      -0.2111      2.00000

     68      -0.1810      2.00000

     69       0.0604      2.00000

     70       0.3601      2.00000

     71       0.6264      2.00000

     72       0.9628      2.00000

     73       1.4819      2.00000

     74       1.5106      2.00000

     75       1.5273      2.00000

     76       1.6741      2.00000

     77       1.8052      2.00000

     78       1.8082      2.00000

     79       2.0653      2.00000

     80       2.1589      2.00000

     81       2.2017      2.00000

     82       2.2476      2.00000

     83       2.7483      2.00000

     84       2.8206      2.00000

     85       2.8388      2.00000

     86       2.9056      2.00000

     87       2.9316      2.00000

     88       2.9590      2.00000

     89       3.0266      2.00000

     90       3.1456      2.00000

     91       3.1748      2.00000

     92       3.2406      2.00000

     93       3.2921      2.00000

     94       3.3776      2.00000

     95       3.4245      2.00000

     96       3.5230      2.00000

     97       3.5454      2.00000

     98       3.7522      2.00000

     99       3.9895      2.00043

    100       4.0124      2.00077

    101       4.1474      2.01328

    102       4.1783      2.02168

    103       4.3317      2.06812

    104       4.6280      0.45079

    105       4.6925      0.10291

    106       4.7708     -0.06068

    107       4.8950     -0.03872

    108       5.0058     -0.00694

    109       5.0729     -0.00168

    110       5.0962     -0.00096

    111       5.1062     -0.00075

    112       5.2092     -0.00004

    113       5.2945     -0.00000

    114       5.3346     -0.00000

    115       5.3853     -0.00000

    116       5.4388     -0.00000

    117       5.8145     -0.00000

    118       5.8472     -0.00000

    119       5.9615     -0.00000

    120       5.9915     -0.00000

    121       6.0468     -0.00000

    122       6.0795     -0.00000

    123       6.1085     -0.00000

    124       6.1461     -0.00000

    125       6.1495     -0.00000

    126       6.2539     -0.00000

    127       6.3499     -0.00000

    128       6.4606     -0.00000



 k-point  45 :       0.0000    1.3968    0.0000

  band No.  band energies     occupation 

      1     -34.4543      2.00000

      2     -34.4446      2.00000

      3     -34.4031      2.00000

      4     -34.3307      2.00000

      5     -34.3223      2.00000

      6     -34.2247      2.00000

      7     -34.2197      2.00000

      8     -34.1886      2.00000

      9     -34.1569      2.00000

     10     -34.1396      2.00000

     11     -34.1344      2.00000

     12     -34.1298      2.00000

     13     -34.0845      2.00000

     14     -34.0527      2.00000

     15     -34.0440      2.00000

     16     -33.9788      2.00000

     17     -33.9501      2.00000

     18     -33.9435      2.00000

     19     -33.9369      2.00000

     20     -33.9264      2.00000

     21     -33.8252      2.00000

     22     -33.7844      2.00000

     23     -33.7678      2.00000

     24     -33.7669      2.00000

     25     -33.7515      2.00000

     26     -33.7397      2.00000

     27     -33.6768      2.00000

     28     -33.6541      2.00000

     29     -33.6415      2.00000

     30     -33.6155      2.00000

     31     -33.6127      2.00000

     32     -33.6076      2.00000

     33     -33.6049      2.00000

     34     -33.5711      2.00000

     35     -33.5162      2.00000

     36     -33.5099      2.00000

     37     -33.4867      2.00000

     38     -33.4587      2.00000

     39     -33.4370      2.00000

     40     -33.4359      2.00000

     41     -33.4243      2.00000

     42     -33.3997      2.00000

     43     -33.3859      2.00000

     44     -33.3683      2.00000

     45     -33.3671      2.00000

     46     -33.3501      2.00000

     47     -33.3211      2.00000

     48     -33.2499      2.00000

     49      -7.0807      2.00000

     50      -6.7167      2.00000

     51      -4.6985      2.00000

     52      -4.0960      2.00000

     53      -3.5514      2.00000

     54      -2.6785      2.00000

     55      -2.1695      2.00000

     56      -1.5233      2.00000

     57      -1.4162      2.00000

     58      -1.3375      2.00000

     59      -1.2252      2.00000

     60      -1.0450      2.00000

     61      -0.9093      2.00000

     62      -0.7633      2.00000

     63      -0.7152      2.00000

     64      -0.5774      2.00000

     65      -0.4525      2.00000

     66      -0.2924      2.00000

     67      -0.2654      2.00000

     68      -0.1750      2.00000

     69       0.0870      2.00000

     70       0.3203      2.00000

     71       0.6302      2.00000

     72       0.9211      2.00000

     73       1.5324      2.00000

     74       1.5358      2.00000

     75       1.5659      2.00000

     76       1.6638      2.00000

     77       1.7681      2.00000

     78       1.8161      2.00000

     79       2.1296      2.00000

     80       2.1393      2.00000

     81       2.1484      2.00000

     82       2.2909      2.00000

     83       2.6557      2.00000

     84       2.7768      2.00000

     85       2.8814      2.00000

     86       2.9333      2.00000

     87       2.9854      2.00000

     88       2.9890      2.00000

     89       3.0638      2.00000

     90       3.1412      2.00000

     91       3.1452      2.00000

     92       3.2609      2.00000

     93       3.2880      2.00000

     94       3.3936      2.00000

     95       3.4272      2.00000

     96       3.5611      2.00000

     97       3.6071      2.00000

     98       3.6812      2.00000

     99       3.8958      2.00003

    100       4.0631      2.00256

    101       4.0927      2.00478

    102       4.2783      2.06341

    103       4.3661      2.04165

    104       4.6344      0.40731

    105       4.6912      0.10758

    106       4.7664     -0.05739

    107       4.8742     -0.04822

    108       4.9795     -0.01125

    109       5.0493     -0.00285

    110       5.1186     -0.00055

    111       5.1524     -0.00022

    112       5.2244     -0.00003

    113       5.2629     -0.00001

    114       5.2806     -0.00000

    115       5.4165     -0.00000

    116       5.4248     -0.00000

    117       5.7289     -0.00000

    118       5.8722     -0.00000

    119       5.8984     -0.00000

    120       6.0200     -0.00000

    121       6.0652     -0.00000

    122       6.0743     -0.00000

    123       6.0936     -0.00000

    124       6.1471     -0.00000

    125       6.1715     -0.00000

    126       6.2315     -0.00000

    127       6.3072     -0.00000

    128       6.4056     -0.00000



 k-point  46 :       0.0000    1.4286    0.0000

  band No.  band energies     occupation 

      1     -34.4424      2.00000

      2     -34.4368      2.00000

      3     -34.4083      2.00000

      4     -34.3519      2.00000

      5     -34.3088      2.00000

      6     -34.2395      2.00000

      7     -34.2154      2.00000

      8     -34.1893      2.00000

      9     -34.1535      2.00000

     10     -34.1348      2.00000

     11     -34.1340      2.00000

     12     -34.1272      2.00000

     13     -34.0922      2.00000

     14     -34.0671      2.00000

     15     -34.0308      2.00000

     16     -33.9734      2.00000

     17     -33.9610      2.00000

     18     -33.9489      2.00000

     19     -33.9391      2.00000

     20     -33.9339      2.00000

     21     -33.8170      2.00000

     22     -33.7801      2.00000

     23     -33.7722      2.00000

     24     -33.7630      2.00000

     25     -33.7521      2.00000

     26     -33.7459      2.00000

     27     -33.6708      2.00000

     28     -33.6484      2.00000

     29     -33.6322      2.00000

     30     -33.6202      2.00000

     31     -33.6149      2.00000

     32     -33.6144      2.00000

     33     -33.5950      2.00000

     34     -33.5517      2.00000

     35     -33.5306      2.00000

     36     -33.4935      2.00000

     37     -33.4813      2.00000

     38     -33.4720      2.00000

     39     -33.4413      2.00000

     40     -33.4334      2.00000

     41     -33.4280      2.00000

     42     -33.4082      2.00000

     43     -33.3817      2.00000

     44     -33.3707      2.00000

     45     -33.3602      2.00000

     46     -33.3367      2.00000

     47     -33.3274      2.00000

     48     -33.2649      2.00000

     49      -7.0343      2.00000

     50      -6.7809      2.00000

     51      -4.6632      2.00000

     52      -4.0244      2.00000

     53      -3.6460      2.00000

     54      -2.6109      2.00000

     55      -2.2575      2.00000

     56      -1.5105      2.00000

     57      -1.3750      2.00000

     58      -1.3208      2.00000

     59      -1.1613      2.00000

     60      -1.0897      2.00000

     61      -0.9467      2.00000

     62      -0.8238      2.00000

     63      -0.6992      2.00000

     64      -0.5485      2.00000

     65      -0.4918      2.00000

     66      -0.3294      2.00000

     67      -0.2759      2.00000

     68      -0.1695      2.00000

     69       0.1152      2.00000

     70       0.2818      2.00000

     71       0.6377      2.00000

     72       0.8861      2.00000

     73       1.5541      2.00000

     74       1.5672      2.00000

     75       1.6331      2.00000

     76       1.6501      2.00000

     77       1.7340      2.00000

     78       1.8239      2.00000

     79       2.0358      2.00000

     80       2.1369      2.00000

     81       2.1990      2.00000

     82       2.3794      2.00000

     83       2.5647      2.00000

     84       2.7215      2.00000

     85       2.9210      2.00000

     86       2.9566      2.00000

     87       3.0083      2.00000

     88       3.0313      2.00000

     89       3.0915      2.00000

     90       3.1195      2.00000

     91       3.1438      2.00000

     92       3.2686      2.00000

     93       3.2833      2.00000

     94       3.4151      2.00000

     95       3.4356      2.00000

     96       3.6112      2.00000

     97       3.6321      2.00000

     98       3.6534      2.00000

     99       3.7994      2.00000

    100       3.9774      2.00031

    101       4.1785      2.02175

    102       4.3805      2.01954

    103       4.3965      1.98561

    104       4.5912      0.72834

    105       4.6976      0.08384

    106       4.7917     -0.06973

    107       4.8546     -0.05710

    108       4.8920     -0.04003

    109       5.0693     -0.00182

    110       5.1274     -0.00044

    111       5.1910     -0.00007

    112       5.2221     -0.00003

    113       5.2338     -0.00002

    114       5.2591     -0.00001

    115       5.4203     -0.00000

    116       5.4727     -0.00000

    117       5.6442     -0.00000

    118       5.8074     -0.00000

    119       5.9075     -0.00000

    120       6.0423     -0.00000

    121       6.0721     -0.00000

    122       6.1077     -0.00000

    123       6.1181     -0.00000

    124       6.1548     -0.00000

    125       6.2290     -0.00000

    126       6.2970     -0.00000

    127       6.3688     -0.00000

    128       6.4630     -0.00000



 k-point  47 :       0.0000    1.4603    0.0000

  band No.  band energies     occupation 

      1     -34.4384      2.00000

      2     -34.4208      2.00000

      3     -34.4124      2.00000

      4     -34.3722      2.00000

      5     -34.2944      2.00000

      6     -34.2554      2.00000

      7     -34.2115      2.00000

      8     -34.1905      2.00000

      9     -34.1496      2.00000

     10     -34.1386      2.00000

     11     -34.1289      2.00000

     12     -34.1201      2.00000

     13     -34.0987      2.00000

     14     -34.0795      2.00000

     15     -34.0167      2.00000

     16     -33.9779      2.00000

     17     -33.9685      2.00000

     18     -33.9476      2.00000

     19     -33.9411      2.00000

     20     -33.9401      2.00000

     21     -33.8101      2.00000

     22     -33.7803      2.00000

     23     -33.7727      2.00000

     24     -33.7597      2.00000

     25     -33.7529      2.00000

     26     -33.7514      2.00000

     27     -33.6662      2.00000

     28     -33.6426      2.00000

     29     -33.6256      2.00000

     30     -33.6247      2.00000

     31     -33.6208      2.00000

     32     -33.6165      2.00000

     33     -33.5830      2.00000

     34     -33.5452      2.00000

     35     -33.5326      2.00000

     36     -33.4887      2.00000

     37     -33.4775      2.00000

     38     -33.4769      2.00000

     39     -33.4478      2.00000

     40     -33.4308      2.00000

     41     -33.4302      2.00000

     42     -33.4167      2.00000

     43     -33.3794      2.00000

     44     -33.3728      2.00000

     45     -33.3523      2.00000

     46     -33.3341      2.00000

     47     -33.3212      2.00000

     48     -33.2806      2.00000

     49      -6.9850      2.00000

     50      -6.8415      2.00000

     51      -4.6401      2.00000

     52      -3.9483      2.00000

     53      -3.7368      2.00000

     54      -2.5391      2.00000

     55      -2.3424      2.00000

     56      -1.5089      2.00000

     57      -1.3261      2.00000

     58      -1.3044      2.00000

     59      -1.1476      2.00000

     60      -1.0914      2.00000

     61      -0.9713      2.00000

     62      -0.8958      2.00000

     63      -0.6653      2.00000

     64      -0.5467      2.00000

     65      -0.4961      2.00000

     66      -0.3819      2.00000

     67      -0.2706      2.00000

     68      -0.1656      2.00000

     69       0.1439      2.00000

     70       0.2461      2.00000

     71       0.6456      2.00000

     72       0.8607      2.00000

     73       1.5744      2.00000

     74       1.5922      2.00000

     75       1.6345      2.00000

     76       1.6972      2.00000

     77       1.7180      2.00000

     78       1.8301      2.00000

     79       1.9377      2.00000

     80       2.1281      2.00000

     81       2.2729      2.00000

     82       2.4648      2.00000

     83       2.4767      2.00000

     84       2.6570      2.00000

     85       2.9534      2.00000

     86       2.9753      2.00000

     87       3.0193      2.00000

     88       3.0569      2.00000

     89       3.1022      2.00000

     90       3.1077      2.00000

     91       3.1514      2.00000

     92       3.2707      2.00000

     93       3.2784      2.00000

     94       3.4027      2.00000

     95       3.4980      2.00000

     96       3.5772      2.00000

     97       3.6813      2.00000

     98       3.6942      2.00000

     99       3.7069      2.00000

    100       3.8927      2.00003

    101       4.2635      2.05744

    102       4.4155      1.93046

    103       4.4832      1.59134

    104       4.5281      1.25540

    105       4.7062      0.05525

    106       4.7475     -0.03663

    107       4.8389     -0.06347

    108       4.8929     -0.03966

    109       5.0610     -0.00220

    110       5.1311     -0.00040

    111       5.1330     -0.00038

    112       5.2368     -0.00002

    113       5.2388     -0.00002

    114       5.3113     -0.00000

    115       5.4180     -0.00000

    116       5.5229     -0.00000

    117       5.5753     -0.00000

    118       5.7293     -0.00000

    119       5.9235     -0.00000

    120       6.0355     -0.00000

    121       6.0476     -0.00000

    122       6.0709     -0.00000

    123       6.1098     -0.00000

    124       6.1637     -0.00000

    125       6.1963     -0.00000

    126       6.2802     -0.00000

    127       6.3405     -0.00000

    128       6.5214     -0.00000



 k-point  48 :       0.0000    1.4921    0.0000

  band No.  band energies     occupation 

      1     -34.4366      2.00000

      2     -34.4151      2.00000

      3     -34.4038      2.00000

      4     -34.3901      2.00000

      5     -34.2800      2.00000

      6     -34.2706      2.00000

      7     -34.2095      2.00000

      8     -34.1914      2.00000

      9     -34.1461      2.00000

     10     -34.1421      2.00000

     11     -34.1259      2.00000

     12     -34.1148      2.00000

     13     -34.1023      2.00000

     14     -34.0871      2.00000

     15     -34.0019      2.00000

     16     -33.9939      2.00000

     17     -33.9655      2.00000

     18     -33.9465      2.00000

     19     -33.9438      2.00000

     20     -33.9423      2.00000

     21     -33.8062      2.00000

     22     -33.7830      2.00000

     23     -33.7703      2.00000

     24     -33.7580      2.00000

     25     -33.7548      2.00000

     26     -33.7536      2.00000

     27     -33.6639      2.00000

     28     -33.6379      2.00000

     29     -33.6292      2.00000

     30     -33.6236      2.00000

     31     -33.6211      2.00000

     32     -33.6190      2.00000

     33     -33.5707      2.00000

     34     -33.5585      2.00000

     35     -33.5142      2.00000

     36     -33.5052      2.00000

     37     -33.4756      2.00000

     38     -33.4641      2.00000

     39     -33.4567      2.00000

     40     -33.4322      2.00000

     41     -33.4267      2.00000

     42     -33.4230      2.00000

     43     -33.3784      2.00000

     44     -33.3738      2.00000

     45     -33.3449      2.00000

     46     -33.3410      2.00000

     47     -33.3049      2.00000

     48     -33.2967      2.00000

     49      -6.9374      2.00000

     50      -6.8940      2.00000

     51      -4.6301      2.00000

     52      -3.8699      2.00000

     53      -3.8215      2.00000

     54      -2.4632      2.00000

     55      -2.4239      2.00000

     56      -1.5095      2.00000

     57      -1.3106      2.00000

     58      -1.2649      2.00000

     59      -1.1975      2.00000

     60      -1.0259      2.00000

     61      -0.9983      2.00000

     62      -0.9476      2.00000

     63      -0.6375      2.00000

     64      -0.5736      2.00000

     65      -0.4571      2.00000

     66      -0.4306      2.00000

     67      -0.2678      2.00000

     68      -0.1638      2.00000

     69       0.1664      2.00000

     70       0.2206      2.00000

     71       0.6501      2.00000

     72       0.8487      2.00000

     73       1.5889      2.00000

     74       1.6081      2.00000

     75       1.6221      2.00000

     76       1.6838      2.00000

     77       1.7938      2.00000

     78       1.8330      2.00000

     79       1.8485      2.00000

     80       2.1239      2.00000

     81       2.3512      2.00000

     82       2.3920      2.00000

     83       2.5452      2.00000

     84       2.5855      2.00000

     85       2.9702      2.00000

     86       2.9887      2.00000

     87       3.0164      2.00000

     88       3.0669      2.00000

     89       3.0963      2.00000

     90       3.1139      2.00000

     91       3.1568      2.00000

     92       3.2727      2.00000

     93       3.2743      2.00000

     94       3.3961      2.00000

     95       3.5580      2.00000

     96       3.5737      2.00000

     97       3.6164      2.00000

     98       3.6956      2.00000

     99       3.7697      2.00000

    100       3.8108      2.00000

    101       4.3296      2.06875

    102       4.4171      1.92524

    103       4.4697      1.67647

    104       4.5944      0.70299

    105       4.6486      0.31779

    106       4.7114      0.03955

    107       4.8309     -0.06620

    108       4.9537     -0.01731

    109       5.0034     -0.00728

    110       5.1194     -0.00054

    111       5.1355     -0.00035

    112       5.2351     -0.00002

    113       5.2405     -0.00002

    114       5.3777     -0.00000

    115       5.4049     -0.00000

    116       5.4949     -0.00000

    117       5.6088     -0.00000

    118       5.6598     -0.00000

    119       5.9312     -0.00000

    120       6.0470     -0.00000

    121       6.0612     -0.00000

    122       6.1027     -0.00000

    123       6.1387     -0.00000

    124       6.1644     -0.00000

    125       6.2541     -0.00000

    126       6.3297     -0.00000

    127       6.4168     -0.00000

    128       6.5030     -0.00000



 k-point  49 :       0.0000    1.5238    0.0000

  band No.  band energies     occupation 

      1     -34.4372      2.00000

      2     -34.4149      2.00000

      3     -34.4111      2.00000

      4     -34.3818      2.00000

      5     -34.2871      2.00000

      6     -34.2632      2.00000

      7     -34.2102      2.00000

      8     -34.1910      2.00000

      9     -34.1477      2.00000

     10     -34.1405      2.00000

     11     -34.1270      2.00000

     12     -34.1169      2.00000

     13     -34.1010      2.00000

     14     -34.0843      2.00000

     15     -34.0094      2.00000

     16     -33.9860      2.00000

     17     -33.9666      2.00000

     18     -33.9469      2.00000

     19     -33.9425      2.00000

     20     -33.9417      2.00000

     21     -33.8076      2.00000

     22     -33.7820      2.00000

     23     -33.7713      2.00000

     24     -33.7586      2.00000

     25     -33.7536      2.00000

     26     -33.7533      2.00000

     27     -33.6647      2.00000

     28     -33.6399      2.00000

     29     -33.6273      2.00000

     30     -33.6232      2.00000

     31     -33.6225      2.00000

     32     -33.6177      2.00000

     33     -33.5765      2.00000

     34     -33.5523      2.00000

     35     -33.5233      2.00000

     36     -33.4967      2.00000

     37     -33.4763      2.00000

     38     -33.4702      2.00000

     39     -33.4520      2.00000

     40     -33.4317      2.00000

     41     -33.4284      2.00000

     42     -33.4203      2.00000

     43     -33.3788      2.00000

     44     -33.3735      2.00000

     45     -33.3485      2.00000

     46     -33.3375      2.00000

     47     -33.3131      2.00000

     48     -33.2886      2.00000

     49      -6.9599      2.00000

     50      -6.8698      2.00000

     51      -4.6334      2.00000

     52      -3.9088      2.00000

     53      -3.7805      2.00000

     54      -2.5017      2.00000

     55      -2.3836      2.00000

     56      -1.5093      2.00000

     57      -1.3140      2.00000

     58      -1.2855      2.00000

     59      -1.1751      2.00000

     60      -1.0583      2.00000

     61      -0.9817      2.00000

     62      -0.9275      2.00000

     63      -0.6490      2.00000

     64      -0.5619      2.00000

     65      -0.4778      2.00000

     66      -0.4071      2.00000

     67      -0.2688      2.00000

     68      -0.1644      2.00000

     69       0.1571      2.00000

     70       0.2309      2.00000

     71       0.6485      2.00000

     72       0.8528      2.00000

     73       1.5831      2.00000

     74       1.6021      2.00000

     75       1.6272      2.00000

     76       1.6902      2.00000

     77       1.7545      2.00000

     78       1.8320      2.00000

     79       1.8911      2.00000

     80       2.1253      2.00000

     81       2.3115      2.00000

     82       2.4339      2.00000

     83       2.5059      2.00000

     84       2.6219      2.00000

     85       2.9645      2.00000

     86       2.9830      2.00000

     87       3.0188      2.00000

     88       3.0636      2.00000

     89       3.0980      2.00000

     90       3.1119      2.00000

     91       3.1548      2.00000

     92       3.2716      2.00000

     93       3.2762      2.00000

     94       3.3984      2.00000

     95       3.5346      2.00000

     96       3.5646      2.00000

     97       3.6591      2.00000

     98       3.6921      2.00000

     99       3.7314      2.00000

    100       3.8511      2.00001

    101       4.3020      2.06994

    102       4.4194      1.91725

    103       4.4880      1.55901

    104       4.5442      1.12189

    105       4.6992      0.07831

    106       4.7096      0.04501

    107       4.8336     -0.06530

    108       4.9226     -0.02739

    109       5.0346     -0.00390

    110       5.1216     -0.00051

    111       5.1347     -0.00036

    112       5.2357     -0.00002

    113       5.2400     -0.00002

    114       5.3469     -0.00000

    115       5.4142     -0.00000

    116       5.5135     -0.00000

    117       5.5827     -0.00000

    118       5.6921     -0.00000

    119       5.9285     -0.00000

    120       6.0455     -0.00000

    121       6.0726     -0.00000

    122       6.0965     -0.00000

    123       6.1170     -0.00000

    124       6.1304     -0.00000

    125       6.2112     -0.00000

    126       6.2853     -0.00000

    127       6.4265     -0.00000

    128       6.5813     -0.00000



 k-point  50 :       0.0000    1.5556    0.0000

  band No.  band energies     occupation 

      1     -34.4401      2.00000

      2     -34.4290      2.00000

      3     -34.4106      2.00000

      4     -34.3622      2.00000

      5     -34.3017      2.00000

      6     -34.2475      2.00000

      7     -34.2133      2.00000

      8     -34.1899      2.00000

      9     -34.1516      2.00000

     10     -34.1367      2.00000

     11     -34.1313      2.00000

     12     -34.1237      2.00000

     13     -34.0957      2.00000

     14     -34.0737      2.00000

     15     -34.0239      2.00000

     16     -33.9708      2.00000

     17     -33.9695      2.00000

     18     -33.9483      2.00000

     19     -33.9401      2.00000

     20     -33.9372      2.00000

     21     -33.8133      2.00000

     22     -33.7793      2.00000

     23     -33.7735      2.00000

     24     -33.7612      2.00000

     25     -33.7525      2.00000

     26     -33.7488      2.00000

     27     -33.6682      2.00000

     28     -33.6455      2.00000

     29     -33.6285      2.00000

     30     -33.6225      2.00000

     31     -33.6181      2.00000

     32     -33.6154      2.00000

     33     -33.5892      2.00000

     34     -33.5421      2.00000

     35     -33.5378      2.00000

     36     -33.4864      2.00000

     37     -33.4792      2.00000

     38     -33.4788      2.00000

     39     -33.4443      2.00000

     40     -33.4318      2.00000

     41     -33.4295      2.00000

     42     -33.4126      2.00000

     43     -33.3804      2.00000

     44     -33.3719      2.00000

     45     -33.3562      2.00000

     46     -33.3307      2.00000

     47     -33.3291      2.00000

     48     -33.2727      2.00000

     49      -7.0099      2.00000

     50      -6.8117      2.00000

     51      -4.6501      2.00000

     52      -3.9869      2.00000

     53      -3.6919      2.00000

     54      -2.5755      2.00000

     55      -2.3004      2.00000

     56      -1.5090      2.00000

     57      -1.3497      2.00000

     58      -1.3136      2.00000

     59      -1.1322      2.00000

     60      -1.1122      2.00000

     61      -0.9604      2.00000

     62      -0.8603      2.00000

     63      -0.6826      2.00000

     64      -0.5390      2.00000

     65      -0.5037      2.00000

     66      -0.3559      2.00000

     67      -0.2731      2.00000

     68      -0.1673      2.00000

     69       0.1296      2.00000

     70       0.2634      2.00000

     71       0.6418      2.00000

     72       0.8720      2.00000

     73       1.5645      2.00000

     74       1.5802      2.00000

     75       1.6424      2.00000

     76       1.6704      2.00000

     77       1.7191      2.00000

     78       1.8273      2.00000

     79       1.9861      2.00000

     80       2.1320      2.00000

     81       2.2354      2.00000

     82       2.4226      2.00000

     83       2.5203      2.00000

     84       2.6903      2.00000

     85       2.9385      2.00000

     86       2.9665      2.00000

     87       3.0158      2.00000

     88       3.0462      2.00000

     89       3.1010      2.00000

     90       3.1095      2.00000

     91       3.1473      2.00000

     92       3.2699      2.00000

     93       3.2808      2.00000

     94       3.4084      2.00000

     95       3.4647      2.00000

     96       3.5951      2.00000

     97       3.6589      2.00000

     98       3.6699      2.00000

     99       3.7522      2.00000

    100       3.9348      2.00009

    101       4.2216      2.03837

    102       4.4067      1.95818

    103       4.4339      1.86106

    104       4.5594      0.99358

    105       4.7020      0.06888

    106       4.7849     -0.06785

    107       4.8460     -0.06071

    108       4.8757     -0.04749

    109       5.0716     -0.00173

    110       5.1306     -0.00040

    111       5.1558     -0.00020

    112       5.2360     -0.00002

    113       5.2373     -0.00002

    114       5.2770     -0.00000

    115       5.4196     -0.00000

    116       5.5011     -0.00000

    117       5.6047     -0.00000

    118       5.7680     -0.00000

    119       5.9168     -0.00000

    120       6.0411     -0.00000

    121       6.0787     -0.00000

    122       6.0942     -0.00000

    123       6.1295     -0.00000

    124       6.1658     -0.00000

    125       6.2139     -0.00000

    126       6.2542     -0.00000

    127       6.3996     -0.00000

    128       6.4959     -0.00000



 k-point  51 :       0.0000    1.5873    0.0000

  band No.  band energies     occupation 

      1     -34.4471      2.00000

      2     -34.4420      2.00000

      3     -34.4058      2.00000

      4     -34.3414      2.00000

      5     -34.3157      2.00000

      6     -34.2317      2.00000

      7     -34.2177      2.00000

      8     -34.1889      2.00000

      9     -34.1553      2.00000

     10     -34.1368      2.00000

     11     -34.1333      2.00000

     12     -34.1300      2.00000

     13     -34.0885      2.00000

     14     -34.0601      2.00000

     15     -34.0375      2.00000

     16     -33.9761      2.00000

     17     -33.9524      2.00000

     18     -33.9495      2.00000

     19     -33.9381      2.00000

     20     -33.9303      2.00000

     21     -33.8210      2.00000

     22     -33.7821      2.00000

     23     -33.7698      2.00000

     24     -33.7652      2.00000

     25     -33.7518      2.00000

     26     -33.7429      2.00000

     27     -33.6736      2.00000

     28     -33.6513      2.00000

     29     -33.6365      2.00000

     30     -33.6178      2.00000

     31     -33.6135      2.00000

     32     -33.6113      2.00000

     33     -33.6002      2.00000

     34     -33.5614      2.00000

     35     -33.5233      2.00000

     36     -33.5016      2.00000

     37     -33.4839      2.00000

     38     -33.4650      2.00000

     39     -33.4387      2.00000

     40     -33.4350      2.00000

     41     -33.4262      2.00000

     42     -33.4038      2.00000

     43     -33.3835      2.00000

     44     -33.3691      2.00000

     45     -33.3642      2.00000

     46     -33.3438      2.00000

     47     -33.3242      2.00000

     48     -33.2573      2.00000

     49      -7.0579      2.00000

     50      -6.7492      2.00000

     51      -4.6794      2.00000

     52      -4.0608      2.00000

     53      -3.5992      2.00000

     54      -2.6453      2.00000

     55      -2.2139      2.00000

     56      -1.5147      2.00000

     57      -1.3978      2.00000

     58      -1.3287      2.00000

     59      -1.1935      2.00000

     60      -1.0660      2.00000

     61      -0.9295      2.00000

     62      -0.7888      2.00000

     63      -0.7129      2.00000

     64      -0.5633      2.00000

     65      -0.4727      2.00000

     66      -0.3045      2.00000

     67      -0.2772      2.00000

     68      -0.1721      2.00000

     69       0.1009      2.00000

     70       0.3009      2.00000

     71       0.6336      2.00000

     72       0.9026      2.00000

     73       1.5433      2.00000

     74       1.5529      2.00000

     75       1.5974      2.00000

     76       1.6573      2.00000

     77       1.7506      2.00000

     78       1.8201      2.00000

     79       2.0868      2.00000

     80       2.1424      2.00000

     81       2.1637      2.00000

     82       2.3355      2.00000

     83       2.6099      2.00000

     84       2.7505      2.00000

     85       2.9018      2.00000

     86       2.9455      2.00000

     87       2.9978      2.00000

     88       3.0122      2.00000

     89       3.0791      2.00000

     90       3.1316      2.00000

     91       3.1417      2.00000

     92       3.2660      2.00000

     93       3.2857      2.00000

     94       3.4116      2.00000

     95       3.4218      2.00000

     96       3.5890      2.00000

     97       3.6324      2.00000

     98       3.6504      2.00000

     99       3.8474      2.00001

    100       4.0202      2.00094

    101       4.1354      2.01078

    102       4.3294      2.06880

    103       4.3818      2.01715

    104       4.6178      0.52338

    105       4.6938      0.09775

    106       4.7783     -0.06507

    107       4.8641     -0.05286

    108       4.9332     -0.02358

    109       5.0607     -0.00221

    110       5.1234     -0.00048

    111       5.1874     -0.00008

    112       5.2297     -0.00002

    113       5.2319     -0.00002

    114       5.2627     -0.00001

    115       5.4208     -0.00000

    116       5.4449     -0.00000

    117       5.6861     -0.00000

    118       5.8462     -0.00000

    119       5.8975     -0.00000

    120       6.0329     -0.00000

    121       6.0447     -0.00000

    122       6.0912     -0.00000

    123       6.1073     -0.00000

    124       6.1635     -0.00000

    125       6.2044     -0.00000

    126       6.2383     -0.00000

    127       6.3837     -0.00000

    128       6.4560     -0.00000



 k-point  52 :       0.0000    1.6190    0.0000

  band No.  band energies     occupation 

      1     -34.4618      2.00000

      2     -34.4467      2.00000

      3     -34.4002      2.00000

      4     -34.3289      2.00000

      5     -34.3197      2.00000

      6     -34.2240      2.00000

      7     -34.2162      2.00000

      8     -34.1882      2.00000

      9     -34.1581      2.00000

     10     -34.1424      2.00000

     11     -34.1367      2.00000

     12     -34.1281      2.00000

     13     -34.0803      2.00000

     14     -34.0503      2.00000

     15     -34.0451      2.00000

     16     -33.9815      2.00000

     17     -33.9504      2.00000

     18     -33.9367      2.00000

     19     -33.9336      2.00000

     20     -33.9224      2.00000

     21     -33.8296      2.00000

     22     -33.7867      2.00000

     23     -33.7709      2.00000

     24     -33.7641      2.00000

     25     -33.7513      2.00000

     26     -33.7366      2.00000

     27     -33.6800      2.00000

     28     -33.6569      2.00000

     29     -33.6469      2.00000

     30     -33.6130      2.00000

     31     -33.6120      2.00000

     32     -33.6093      2.00000

     33     -33.6037      2.00000

     34     -33.5807      2.00000

     35     -33.5183      2.00000

     36     -33.5093      2.00000

     37     -33.4897      2.00000

     38     -33.4532      2.00000

     39     -33.4390      2.00000

     40     -33.4330      2.00000

     41     -33.4223      2.00000

     42     -33.3961      2.00000

     43     -33.3890      2.00000

     44     -33.3725      2.00000

     45     -33.3645      2.00000

     46     -33.3554      2.00000

     47     -33.3182      2.00000

     48     -33.2427      2.00000

     49      -7.1027      2.00000

     50      -6.6834      2.00000

     51      -4.7205      2.00000

     52      -4.1300      2.00000

     53      -3.5028      2.00000

     54      -2.7106      2.00000

     55      -2.1245      2.00000

     56      -1.5371      2.00000

     57      -1.4295      2.00000

     58      -1.3470      2.00000

     59      -1.2561      2.00000

     60      -1.0265      2.00000

     61      -0.8877      2.00000

     62      -0.7613      2.00000

     63      -0.6917      2.00000

     64      -0.5895      2.00000

     65      -0.4329      2.00000

     66      -0.2938      2.00000

     67      -0.2396      2.00000

     68      -0.1780      2.00000

     69       0.0735      2.00000

     70       0.3401      2.00000

     71       0.6277      2.00000

     72       0.9413      2.00000

     73       1.5116      2.00000

     74       1.5215      2.00000

     75       1.5429      2.00000

     76       1.6694      2.00000

     77       1.7864      2.00000

     78       1.8120      2.00000

     79       2.0969      2.00000

     80       2.1542      2.00000

     81       2.1928      2.00000

     82       2.2460      2.00000

     83       2.7020      2.00000

     84       2.8003      2.00000

     85       2.8602      2.00000

     86       2.9200      2.00000

     87       2.9618      2.00000

     88       2.9724      2.00000

     89       3.0461      2.00000

     90       3.1426      2.00000

     91       3.1596      2.00000

     92       3.2525      2.00000

     93       3.2901      2.00000

     94       3.3824      2.00000

     95       3.4292      2.00000

     96       3.5380      2.00000

     97       3.5780      2.00000

     98       3.7155      2.00000

     99       3.9442      2.00012

    100       4.0507      2.00194

    101       4.1057      2.00620

    102       4.2278      2.04115

    103       4.3493      2.05868

    104       4.6373      0.38815

    105       4.6905      0.11026

    106       4.7642     -0.05552

    107       4.8845     -0.04343

    108       5.0147     -0.00584

    109       5.0462     -0.00305

    110       5.1129     -0.00063

    111       5.1182     -0.00055

    112       5.2177     -0.00003

    113       5.2789     -0.00000

    114       5.3134     -0.00000

    115       5.3962     -0.00000

    116       5.4275     -0.00000

    117       5.7717     -0.00000

    118       5.8632     -0.00000

    119       5.9320     -0.00000

    120       6.0068     -0.00000

    121       6.0541     -0.00000

    122       6.0829     -0.00000

    123       6.1139     -0.00000

    124       6.1191     -0.00000

    125       6.1563     -0.00000

    126       6.2228     -0.00000

    127       6.3597     -0.00000

    128       6.4450     -0.00000



 k-point  53 :       0.0000    1.6508    0.0000

  band No.  band energies     occupation 

      1     -34.4761      2.00000

      2     -34.4506      2.00000

      3     -34.3940      2.00000

      4     -34.3412      2.00000

      5     -34.2974      2.00000

      6     -34.2296      2.00000

      7     -34.2071      2.00000

      8     -34.1841      2.00000

      9     -34.1597      2.00000

     10     -34.1478      2.00000

     11     -34.1406      2.00000

     12     -34.1240      2.00000

     13     -34.0716      2.00000

     14     -34.0621      2.00000

     15     -34.0293      2.00000

     16     -33.9867      2.00000

     17     -33.9505      2.00000

     18     -33.9341      2.00000

     19     -33.9156      2.00000

     20     -33.9140      2.00000

     21     -33.8388      2.00000

     22     -33.7915      2.00000

     23     -33.7787      2.00000

     24     -33.7584      2.00000

     25     -33.7509      2.00000

     26     -33.7306      2.00000

     27     -33.6866      2.00000

     28     -33.6621      2.00000

     29     -33.6586      2.00000

     30     -33.6191      2.00000

     31     -33.6108      2.00000

     32     -33.6082      2.00000

     33     -33.5982      2.00000

     34     -33.5956      2.00000

     35     -33.5352      2.00000

     36     -33.4963      2.00000

     37     -33.4960      2.00000

     38     -33.4458      2.00000

     39     -33.4449      2.00000

     40     -33.4248      2.00000

     41     -33.4183      2.00000

     42     -33.3979      2.00000

     43     -33.3899      2.00000

     44     -33.3810      2.00000

     45     -33.3630      2.00000

     46     -33.3574      2.00000

     47     -33.3125      2.00000

     48     -33.2290      2.00000

     49      -7.1441      2.00000

     50      -6.6146      2.00000

     51      -4.7722      2.00000

     52      -4.1944      2.00000

     53      -3.4032      2.00000

     54      -2.7715      2.00000

     55      -2.0324      2.00000

     56      -1.5772      2.00000

     57      -1.4471      2.00000

     58      -1.3658      2.00000

     59      -1.3149      2.00000

     60      -0.9956      2.00000

     61      -0.8547      2.00000

     62      -0.7684      2.00000

     63      -0.6208      2.00000

     64      -0.6006      2.00000

     65      -0.4006      2.00000

     66      -0.2969      2.00000

     67      -0.1851      2.00000

     68      -0.1804      2.00000

     69       0.0479      2.00000

     70       0.3801      2.00000

     71       0.6267      2.00000

     72       0.9854      2.00000

     73       1.4511      2.00000

     74       1.4998      2.00000

     75       1.5143      2.00000

     76       1.6776      2.00000

     77       1.8046      2.00000

     78       1.8246      2.00000

     79       2.0350      2.00000

     80       2.1482      2.00000

     81       2.1722      2.00000

     82       2.3036      2.00000

     83       2.7919      2.00000

     84       2.8199      2.00000

     85       2.8371      2.00000

     86       2.8899      2.00000

     87       2.8989      2.00000

     88       2.9463      2.00000

     89       3.0060      2.00000

     90       3.1501      2.00000

     91       3.1905      2.00000

     92       3.2259      2.00000

     93       3.2938      2.00000

     94       3.3781      2.00000

     95       3.4113      2.00000

     96       3.5102      2.00000

     97       3.5179      2.00000

     98       3.7908      2.00000

     99       3.9668      2.00023

    100       4.0413      2.00156

    101       4.1310      2.00997

    102       4.1882      2.02499

    103       4.3135      2.07092

    104       4.6117      0.56821

    105       4.6978      0.08340

    106       4.7811     -0.06640

    107       4.9053     -0.03424

    108       4.9847     -0.01027

    109       5.0495     -0.00284

    110       5.0982     -0.00092

    111       5.1340     -0.00037

    112       5.1991     -0.00006

    113       5.3088     -0.00000

    114       5.3345     -0.00000

    115       5.3894     -0.00000

    116       5.4640     -0.00000

    117       5.8270     -0.00000

    118       5.8575     -0.00000

    119       5.9396     -0.00000

    120       6.0197     -0.00000

    121       6.0501     -0.00000

    122       6.0688     -0.00000

    123       6.0723     -0.00000

    124       6.0885     -0.00000

    125       6.1356     -0.00000

    126       6.1829     -0.00000

    127       6.3673     -0.00000

    128       6.5560     -0.00000



 k-point  54 :       0.0000    1.6825    0.0000

  band No.  band energies     occupation 

      1     -34.4894      2.00000

      2     -34.4542      2.00000

      3     -34.3875      2.00000

      4     -34.3527      2.00000

      5     -34.2745      2.00000

      6     -34.2358      2.00000

      7     -34.2071      2.00000

      8     -34.1726      2.00000

      9     -34.1604      2.00000

     10     -34.1530      2.00000

     11     -34.1430      2.00000

     12     -34.1199      2.00000

     13     -34.0730      2.00000

     14     -34.0624      2.00000

     15     -34.0132      2.00000

     16     -33.9916      2.00000

     17     -33.9495      2.00000

     18     -33.9321      2.00000

     19     -33.9052      2.00000

     20     -33.8964      2.00000

     21     -33.8483      2.00000

     22     -33.7960      2.00000

     23     -33.7891      2.00000

     24     -33.7530      2.00000

     25     -33.7507      2.00000

     26     -33.7258      2.00000

     27     -33.6924      2.00000

     28     -33.6701      2.00000

     29     -33.6669      2.00000

     30     -33.6339      2.00000

     31     -33.6111      2.00000

     32     -33.6092      2.00000

     33     -33.6036      2.00000

     34     -33.5872      2.00000

     35     -33.5517      2.00000

     36     -33.5033      2.00000

     37     -33.4836      2.00000

     38     -33.4541      2.00000

     39     -33.4421      2.00000

     40     -33.4145      2.00000

     41     -33.4144      2.00000

     42     -33.4063      2.00000

     43     -33.3895      2.00000

     44     -33.3866      2.00000

     45     -33.3667      2.00000

     46     -33.3490      2.00000

     47     -33.3073      2.00000

     48     -33.2163      2.00000

     49      -7.1821      2.00000

     50      -6.5428      2.00000

     51      -4.8332      2.00000

     52      -4.2537      2.00000

     53      -3.3008      2.00000

     54      -2.8277      2.00000

     55      -1.9380      2.00000

     56      -1.6236      2.00000

     57      -1.4691      2.00000

     58      -1.3809      2.00000

     59      -1.3678      2.00000

     60      -0.9707      2.00000

     61      -0.8569      2.00000

     62      -0.7502      2.00000

     63      -0.5983      2.00000

     64      -0.5369      2.00000

     65      -0.3900      2.00000

     66      -0.2840      2.00000

     67      -0.1877      2.00000

     68      -0.1223      2.00000

     69       0.0241      2.00000

     70       0.4204      2.00000

     71       0.6325      2.00000

     72       1.0332      2.00000

     73       1.3917      2.00000

     74       1.4785      2.00000

     75       1.4916      2.00000

     76       1.6805      2.00000

     77       1.7989      2.00000

     78       1.8644      2.00000

     79       1.9785      2.00000

     80       2.0620      2.00000

     81       2.1757      2.00000

     82       2.4189      2.00000

     83       2.7705      2.00000

     84       2.8272      2.00000

     85       2.8540      2.00000

     86       2.8547      2.00000

     87       2.8841      2.00000

     88       2.9315      2.00000

     89       2.9669      2.00000

     90       3.1631      2.00000

     91       3.1916      2.00000

     92       3.2229      2.00000

     93       3.2967      2.00000

     94       3.3696      2.00000

     95       3.3866      2.00000

     96       3.4383      2.00000

     97       3.5270      2.00000

     98       3.8711      2.00001

     99       3.8890      2.00002

    100       4.0283      2.00114

    101       4.1438      2.01249

    102       4.2645      2.05784

    103       4.2770      2.06293

    104       4.5719      0.88810

    105       4.7217      0.01232

    106       4.7997     -0.07080

    107       4.9250     -0.02649

    108       4.9339     -0.02337

    109       4.9910     -0.00916

    110       5.0755     -0.00158

    111       5.1745     -0.00012

    112       5.2202     -0.00003

    113       5.2927     -0.00000

    114       5.3548     -0.00000

    115       5.4092     -0.00000

    116       5.5428     -0.00000

    117       5.7758     -0.00000

    118       5.8638     -0.00000

    119       5.9149     -0.00000

    120       5.9406     -0.00000

    121       6.0170     -0.00000

    122       6.0543     -0.00000

    123       6.0898     -0.00000

    124       6.1021     -0.00000

    125       6.1414     -0.00000

    126       6.2461     -0.00000

    127       6.4242     -0.00000

    128       6.4905     -0.00000



 k-point  55 :       0.0000    1.7143    0.0000

  band No.  band energies     occupation 

      1     -34.5015      2.00000

      2     -34.4576      2.00000

      3     -34.3807      2.00000

      4     -34.3631      2.00000

      5     -34.2524      2.00000

      6     -34.2414      2.00000

      7     -34.2112      2.00000

      8     -34.1613      2.00000

      9     -34.1580      2.00000

     10     -34.1574      2.00000

     11     -34.1438      2.00000

     12     -34.1157      2.00000

     13     -34.0829      2.00000

     14     -34.0529      2.00000

     15     -33.9972      2.00000

     16     -33.9961      2.00000

     17     -33.9466      2.00000

     18     -33.9303      2.00000

     19     -33.8960      2.00000

     20     -33.8767      2.00000

     21     -33.8583      2.00000

     22     -33.8023      2.00000

     23     -33.8001      2.00000

     24     -33.7505      2.00000

     25     -33.7482      2.00000

     26     -33.7240      2.00000

     27     -33.6953      2.00000

     28     -33.6805      2.00000

     29     -33.6713      2.00000

     30     -33.6534      2.00000

     31     -33.6196      2.00000

     32     -33.6086      2.00000

     33     -33.5993      2.00000

     34     -33.5786      2.00000

     35     -33.5670      2.00000

     36     -33.5106      2.00000

     37     -33.4726      2.00000

     38     -33.4670      2.00000

     39     -33.4402      2.00000

     40     -33.4129      2.00000

     41     -33.4116      2.00000

     42     -33.4036      2.00000

     43     -33.3975      2.00000

     44     -33.3846      2.00000

     45     -33.3688      2.00000

     46     -33.3399      2.00000

     47     -33.3025      2.00000

     48     -33.2046      2.00000

     49      -7.2167      2.00000

     50      -6.4683      2.00000

     51      -4.9021      2.00000

     52      -4.3079      2.00000

     53      -3.1959      2.00000

     54      -2.8790      2.00000

     55      -1.8419      2.00000

     56      -1.6697      2.00000

     57      -1.5052      2.00000

     58      -1.4218      2.00000

     59      -1.3822      2.00000

     60      -0.9532      2.00000

     61      -0.8758      2.00000

     62      -0.7297      2.00000

     63      -0.5627      2.00000

     64      -0.4588      2.00000

     65      -0.4030      2.00000

     66      -0.2533      2.00000

     67      -0.1872      2.00000

     68      -0.0639      2.00000

     69       0.0024      2.00000

     70       0.4609      2.00000

     71       0.6467      2.00000

     72       1.0832      2.00000

     73       1.3371      2.00000

     74       1.4580      2.00000

     75       1.4714      2.00000

     76       1.6760      2.00000

     77       1.7954      2.00000

     78       1.9017      2.00000

     79       1.9313      2.00000

     80       1.9755      2.00000

     81       2.1762      2.00000

     82       2.5375      2.00000

     83       2.7283      2.00000

     84       2.7507      2.00000

     85       2.8154      2.00000

     86       2.8397      2.00000

     87       2.8919      2.00000

     88       2.9450      2.00000

     89       2.9979      2.00000

     90       3.1533      2.00000

     91       3.1799      2.00000

     92       3.2557      2.00000

     93       3.2964      2.00000

     94       3.3231      2.00000

     95       3.3524      2.00000

     96       3.4206      2.00000

     97       3.5455      2.00000

     98       3.8150      2.00000

     99       3.9389      2.00011

    100       3.9516      2.00015

    101       4.2205      2.03790

    102       4.2550      2.05365

    103       4.3332      2.06758

    104       4.5295      1.24373

    105       4.7676     -0.05829

    106       4.8090     -0.07070

    107       4.8819     -0.04466

    108       4.9339     -0.02336

    109       4.9411     -0.02102

    110       5.0376     -0.00366

    111       5.1491     -0.00024

    112       5.2662     -0.00001

    113       5.2873     -0.00000

    114       5.3590     -0.00000

    115       5.4648     -0.00000

    116       5.6225     -0.00000

    117       5.7152     -0.00000

    118       5.7705     -0.00000

    119       5.8110     -0.00000

    120       5.9927     -0.00000

    121       6.0208     -0.00000

    122       6.0627     -0.00000

    123       6.0775     -0.00000

    124       6.1349     -0.00000

    125       6.1798     -0.00000

    126       6.2065     -0.00000

    127       6.3617     -0.00000

    128       6.4077     -0.00000



 k-point  56 :       0.0000    1.7460    0.0000

  band No.  band energies     occupation 

      1     -34.5124      2.00000

      2     -34.4606      2.00000

      3     -34.3739      2.00000

      4     -34.3724      2.00000

      5     -34.2508      2.00000

      6     -34.2278      2.00000

      7     -34.2148      2.00000

      8     -34.1624      2.00000

      9     -34.1616      2.00000

     10     -34.1462      2.00000

     11     -34.1405      2.00000

     12     -34.1113      2.00000

     13     -34.0919      2.00000

     14     -34.0431      2.00000

     15     -34.0001      2.00000

     16     -33.9820      2.00000

     17     -33.9412      2.00000

     18     -33.9285      2.00000

     19     -33.8867      2.00000

     20     -33.8683      2.00000

     21     -33.8565      2.00000

     22     -33.8182      2.00000

     23     -33.8039      2.00000

     24     -33.7505      2.00000

     25     -33.7441      2.00000

     26     -33.7267      2.00000

     27     -33.6936      2.00000

     28     -33.6902      2.00000

     29     -33.6753      2.00000

     30     -33.6742      2.00000

     31     -33.6288      2.00000

     32     -33.6079      2.00000

     33     -33.5954      2.00000

     34     -33.5799      2.00000

     35     -33.5698      2.00000

     36     -33.5179      2.00000

     37     -33.4842      2.00000

     38     -33.4617      2.00000

     39     -33.4391      2.00000

     40     -33.4171      2.00000

     41     -33.4125      2.00000

     42     -33.4022      2.00000

     43     -33.3935      2.00000

     44     -33.3834      2.00000

     45     -33.3700      2.00000

     46     -33.3308      2.00000

     47     -33.2982      2.00000

     48     -33.1939      2.00000

     49      -7.2477      2.00000

     50      -6.3910      2.00000

     51      -4.9776      2.00000

     52      -4.3567      2.00000

     53      -3.0889      2.00000

     54      -2.9253      2.00000

     55      -1.7445      2.00000

     56      -1.7128      2.00000

     57      -1.5540      2.00000

     58      -1.4674      2.00000

     59      -1.3829      2.00000

     60      -0.9462      2.00000

     61      -0.8948      2.00000

     62      -0.7149      2.00000

     63      -0.5149      2.00000

     64      -0.4232      2.00000

     65      -0.3817      2.00000

     66      -0.2176      2.00000

     67      -0.1797      2.00000

     68      -0.0191      2.00000

     69      -0.0062      2.00000

     70       0.5026      2.00000

     71       0.6701      2.00000

     72       1.1341      2.00000

     73       1.2882      2.00000

     74       1.4383      2.00000

     75       1.4534      2.00000

     76       1.6601      2.00000

     77       1.7941      2.00000

     78       1.8767      2.00000

     79       1.8983      2.00000

     80       1.9530      2.00000

     81       2.1657      2.00000

     82       2.6539      2.00000

     83       2.6715      2.00000

     84       2.6885      2.00000

     85       2.7798      2.00000

     86       2.7959      2.00000

     87       2.8759      2.00000

     88       2.9422      2.00000

     89       3.0904      2.00000

     90       3.1129      2.00000

     91       3.1947      2.00000

     92       3.2687      2.00000

     93       3.2734      2.00000

     94       3.2952      2.00000

     95       3.3180      2.00000

     96       3.4457      2.00000

     97       3.5658      2.00000

     98       3.7463      2.00000

     99       3.8537      2.00001

    100       4.0276      2.00112

    101       4.1983      2.02871

    102       4.3284      2.06909

    103       4.3977      1.98264

    104       4.4875      1.56241

    105       4.7975     -0.07061

    106       4.8360     -0.06450

    107       4.8401     -0.06301

    108       4.8852     -0.04313

    109       4.9369     -0.02236

    110       4.9914     -0.00910

    111       5.1295     -0.00041

    112       5.2459     -0.00001

    113       5.2965     -0.00000

    114       5.3698     -0.00000

    115       5.5385     -0.00000

    116       5.6257     -0.00000

    117       5.6375     -0.00000

    118       5.7354     -0.00000

    119       5.7877     -0.00000

    120       5.9771     -0.00000

    121       6.0723     -0.00000

    122       6.0919     -0.00000

    123       6.1097     -0.00000

    124       6.1679     -0.00000

    125       6.2297     -0.00000

    126       6.2514     -0.00000

    127       6.2707     -0.00000

    128       6.3849     -0.00000



 k-point  57 :       0.0000    1.7778    0.0000

  band No.  band energies     occupation 

      1     -34.5221      2.00000

      2     -34.4634      2.00000

      3     -34.3811      2.00000

      4     -34.3664      2.00000

      5     -34.2577      2.00000

      6     -34.2243      2.00000

      7     -34.1998      2.00000

      8     -34.1659      2.00000

      9     -34.1630      2.00000

     10     -34.1438      2.00000

     11     -34.1282      2.00000

     12     -34.1067      2.00000

     13     -34.0999      2.00000

     14     -34.0332      2.00000

     15     -34.0036      2.00000

     16     -33.9684      2.00000

     17     -33.9323      2.00000

     18     -33.9266      2.00000

     19     -33.8805      2.00000

     20     -33.8754      2.00000

     21     -33.8393      2.00000

     22     -33.8333      2.00000

     23     -33.8073      2.00000

     24     -33.7504      2.00000

     25     -33.7418      2.00000

     26     -33.7317      2.00000

     27     -33.7024      2.00000

     28     -33.6923      2.00000

     29     -33.6887      2.00000

     30     -33.6788      2.00000

     31     -33.6400      2.00000

     32     -33.6072      2.00000

     33     -33.5921      2.00000

     34     -33.5898      2.00000

     35     -33.5609      2.00000

     36     -33.5251      2.00000

     37     -33.5027      2.00000

     38     -33.4526      2.00000

     39     -33.4383      2.00000

     40     -33.4201      2.00000

     41     -33.4191      2.00000

     42     -33.4011      2.00000

     43     -33.3844      2.00000

     44     -33.3824      2.00000

     45     -33.3707      2.00000

     46     -33.3224      2.00000

     47     -33.2944      2.00000

     48     -33.1845      2.00000

     49      -7.2752      2.00000

     50      -6.3113      2.00000

     51      -5.0583      2.00000

     52      -4.4000      2.00000

     53      -2.9804      2.00000

     54      -2.9663      2.00000

     55      -1.7521      2.00000

     56      -1.6463      2.00000

     57      -1.6128      2.00000

     58      -1.5082      2.00000

     59      -1.3821      2.00000

     60      -0.9511      2.00000

     61      -0.9089      2.00000

     62      -0.7004      2.00000

     63      -0.5041      2.00000

     64      -0.4083      2.00000

     65      -0.3073      2.00000

     66      -0.1869      2.00000

     67      -0.1606      2.00000

     68      -0.0357      2.00000

     69       0.0437      2.00000

     70       0.5472      2.00000

     71       0.7032      2.00000

     72       1.1842      2.00000

     73       1.2447      2.00000

     74       1.4198      2.00000

     75       1.4374      2.00000

     76       1.6267      2.00000

     77       1.7895      2.00000

     78       1.8363      2.00000

     79       1.8437      2.00000

     80       1.9968      2.00000

     81       2.1388      2.00000

     82       2.5911      2.00000

     83       2.6509      2.00000

     84       2.7019      2.00000

     85       2.7455      2.00000

     86       2.8160      2.00000

     87       2.8609      2.00000

     88       2.9441      2.00000

     89       3.0692      2.00000

     90       3.1807      2.00000

     91       3.1888      2.00000

     92       3.2350      2.00000

     93       3.2367      2.00000

     94       3.3203      2.00000

     95       3.3263      2.00000

     96       3.4767      2.00000

     97       3.5857      2.00000

     98       3.6840      2.00000

     99       3.7752      2.00000

    100       4.0948      2.00500

    101       4.1660      2.01798

    102       4.3887      2.00340

    103       4.4636      1.71263

    104       4.4660      1.69866

    105       4.7562     -0.04760

    106       4.7964     -0.07049

    107       4.8532     -0.05769

    108       4.8719     -0.04926

    109       4.9305     -0.02453

    110       4.9881     -0.00965

    111       5.1172     -0.00057

    112       5.2277     -0.00002

    113       5.2499     -0.00001

    114       5.3866     -0.00000

    115       5.5154     -0.00000

    116       5.5818     -0.00000

    117       5.6405     -0.00000

    118       5.7409     -0.00000

    119       5.8454     -0.00000

    120       5.9688     -0.00000

    121       6.0578     -0.00000

    122       6.0795     -0.00000

    123       6.0986     -0.00000

    124       6.1614     -0.00000

    125       6.1699     -0.00000

    126       6.3174     -0.00000

    127       6.3461     -0.00000

    128       6.4209     -0.00000



 k-point  58 :       0.0000    1.8095    0.0000

  band No.  band energies     occupation 

      1     -34.5306      2.00000

      2     -34.4658      2.00000

      3     -34.3884      2.00000

      4     -34.3589      2.00000

      5     -34.2651      2.00000

      6     -34.2289      2.00000

      7     -34.1764      2.00000

      8     -34.1693      2.00000

      9     -34.1640      2.00000

     10     -34.1422      2.00000

     11     -34.1169      2.00000

     12     -34.1066      2.00000

     13     -34.1013      2.00000

     14     -34.0235      2.00000

     15     -34.0061      2.00000

     16     -33.9562      2.00000

     17     -33.9261      2.00000

     18     -33.9184      2.00000

     19     -33.8900      2.00000

     20     -33.8666      2.00000

     21     -33.8577      2.00000

     22     -33.8144      2.00000

     23     -33.8102      2.00000

     24     -33.7505      2.00000

     25     -33.7455      2.00000

     26     -33.7329      2.00000

     27     -33.7226      2.00000

     28     -33.7027      2.00000

     29     -33.6830      2.00000

     30     -33.6813      2.00000

     31     -33.6526      2.00000

     32     -33.6067      2.00000

     33     -33.5970      2.00000

     34     -33.5893      2.00000

     35     -33.5522      2.00000

     36     -33.5316      2.00000

     37     -33.5221      2.00000

     38     -33.4447      2.00000

     39     -33.4376      2.00000

     40     -33.4286      2.00000

     41     -33.4212      2.00000

     42     -33.3987      2.00000

     43     -33.3821      2.00000

     44     -33.3761      2.00000

     45     -33.3712      2.00000

     46     -33.3148      2.00000

     47     -33.2911      2.00000

     48     -33.1761      2.00000

     49      -7.2990      2.00000

     50      -6.2292      2.00000

     51      -5.1432      2.00000

     52      -4.4378      2.00000

     53      -3.0023      2.00000

     54      -2.8706      2.00000

     55      -1.7867      2.00000

     56      -1.6805      2.00000

     57      -1.5483      2.00000

     58      -1.5438      2.00000

     59      -1.3807      2.00000

     60      -0.9635      2.00000

     61      -0.9193      2.00000

     62      -0.6858      2.00000

     63      -0.5424      2.00000

     64      -0.3513      2.00000

     65      -0.2365      2.00000

     66      -0.1635      2.00000

     67      -0.1313      2.00000

     68      -0.0512      2.00000

     69       0.0872      2.00000

     70       0.5965      2.00000

     71       0.7468      2.00000

     72       1.2069      2.00000

     73       1.2305      2.00000

     74       1.4027      2.00000

     75       1.4236      2.00000

     76       1.5745      2.00000

     77       1.7648      2.00000

     78       1.8006      2.00000

     79       1.8326      2.00000

     80       2.0424      2.00000

     81       2.0911      2.00000

     82       2.5108      2.00000

     83       2.6160      2.00000

     84       2.6664      2.00000

     85       2.7024      2.00000

     86       2.8478      2.00000

     87       2.9388      2.00000

     88       2.9447      2.00000

     89       3.0231      2.00000

     90       3.1515      2.00000

     91       3.2017      2.00000

     92       3.2383      2.00000

     93       3.2643      2.00000

     94       3.3287      2.00000

     95       3.3606      2.00000

     96       3.5105      2.00000

     97       3.6040      2.00000

     98       3.6291      2.00000

     99       3.7047      2.00000

    100       4.1371      2.01111

    101       4.1523      2.01441

    102       4.3691      2.03764

    103       4.5109      1.39209

    104       4.5450      1.11509

    105       4.7023      0.06793

    106       4.7390     -0.02339

    107       4.7536     -0.04457

    108       4.8802     -0.04544

    109       4.9956     -0.00842

    110       5.0295     -0.00433

    111       5.1142     -0.00061

    112       5.1639     -0.00016

    113       5.2305     -0.00002

    114       5.3905     -0.00000

    115       5.4015     -0.00000

    116       5.5760     -0.00000

    117       5.7161     -0.00000

    118       5.7316     -0.00000

    119       5.9242     -0.00000

    120       5.9710     -0.00000

    121       5.9825     -0.00000

    122       6.0597     -0.00000

    123       6.0989     -0.00000

    124       6.1126     -0.00000

    125       6.2247     -0.00000

    126       6.3594     -0.00000

    127       6.4370     -0.00000

    128       6.4859     -0.00000



 k-point  59 :       0.0000    1.8413    0.0000

  band No.  band energies     occupation 

      1     -34.5378      2.00000

      2     -34.4678      2.00000

      3     -34.3947      2.00000

      4     -34.3514      2.00000

      5     -34.2727      2.00000

      6     -34.2334      2.00000

      7     -34.1721      2.00000

      8     -34.1656      2.00000

      9     -34.1526      2.00000

     10     -34.1404      2.00000

     11     -34.1140      2.00000

     12     -34.1070      2.00000

     13     -34.0942      2.00000

     14     -34.0158      2.00000

     15     -34.0060      2.00000

     16     -33.9443      2.00000

     17     -33.9247      2.00000

     18     -33.9039      2.00000

     19     -33.9007      2.00000

     20     -33.8786      2.00000

     21     -33.8566      2.00000

     22     -33.8128      2.00000

     23     -33.7934      2.00000

     24     -33.7538      2.00000

     25     -33.7505      2.00000

     26     -33.7448      2.00000

     27     -33.7309      2.00000

     28     -33.7120      2.00000

     29     -33.6845      2.00000

     30     -33.6758      2.00000

     31     -33.6648      2.00000

     32     -33.6067      2.00000

     33     -33.6025      2.00000

     34     -33.5872      2.00000

     35     -33.5457      2.00000

     36     -33.5413      2.00000

     37     -33.5355      2.00000

     38     -33.4389      2.00000

     39     -33.4378      2.00000

     40     -33.4361      2.00000

     41     -33.4222      2.00000

     42     -33.3964      2.00000

     43     -33.3817      2.00000

     44     -33.3716      2.00000

     45     -33.3692      2.00000

     46     -33.3082      2.00000

     47     -33.2882      2.00000

     48     -33.1691      2.00000

     49      -7.3192      2.00000

     50      -6.1449      2.00000

     51      -5.2312      2.00000

     52      -4.4699      2.00000

     53      -3.0328      2.00000

     54      -2.7601      2.00000

     55      -1.8164      2.00000

     56      -1.7554      2.00000

     57      -1.5743      2.00000

     58      -1.4541      2.00000

     59      -1.3763      2.00000

     60      -0.9775      2.00000

     61      -0.9285      2.00000

     62      -0.6731      2.00000

     63      -0.5960      2.00000

     64      -0.2887      2.00000

     65      -0.1719      2.00000

     66      -0.1396      2.00000

     67      -0.1020      2.00000

     68      -0.0639      2.00000

     69       0.1206      2.00000

     70       0.6512      2.00000

     71       0.8022      2.00000

     72       1.1747      2.00000

     73       1.2656      2.00000

     74       1.3895      2.00000

     75       1.4119      2.00000

     76       1.5135      2.00000

     77       1.7330      2.00000

     78       1.7702      2.00000

     79       1.8455      2.00000

     80       2.0230      2.00000

     81       2.0893      2.00000

     82       2.4318      2.00000

     83       2.5813      2.00000

     84       2.6260      2.00000

     85       2.6738      2.00000

     86       2.8369      2.00000

     87       2.9400      2.00000

     88       2.9800      2.00000

     89       3.0725      2.00000

     90       3.1175      2.00000

     91       3.1729      2.00000

     92       3.2455      2.00000

     93       3.3367      2.00000

     94       3.3392      2.00000

     95       3.3960      2.00000

     96       3.5430      2.00000

     97       3.5841      2.00000

     98       3.6203      2.00000

     99       3.6443      2.00000

    100       4.1124      2.00706

    101       4.2036      2.03079

    102       4.3261      2.06963

    103       4.5643      0.95232

    104       4.5957      0.69249

    105       4.6468      0.32840

    106       4.6520      0.29741

    107       4.7235      0.00797

    108       4.8927     -0.03975

    109       5.0032     -0.00730

    110       5.0804     -0.00141

    111       5.0812     -0.00138

    112       5.1701     -0.00014

    113       5.2287     -0.00002

    114       5.2956     -0.00000

    115       5.3891     -0.00000

    116       5.5623     -0.00000

    117       5.7225     -0.00000

    118       5.7943     -0.00000

    119       5.8482     -0.00000

    120       5.9765     -0.00000

    121       6.0403     -0.00000

    122       6.0779     -0.00000

    123       6.1297     -0.00000

    124       6.2066     -0.00000

    125       6.2813     -0.00000

    126       6.3551     -0.00000

    127       6.4497     -0.00000

    128       6.4894     -0.00000



 k-point  60 :       0.0000    1.8730    0.0000

  band No.  band energies     occupation 

      1     -34.5437      2.00000

      2     -34.4695      2.00000

      3     -34.3998      2.00000

      4     -34.3437      2.00000

      5     -34.2804      2.00000

      6     -34.2372      2.00000

      7     -34.1745      2.00000

      8     -34.1664      2.00000

      9     -34.1398      2.00000

     10     -34.1300      2.00000

     11     -34.1186      2.00000

     12     -34.1015      2.00000

     13     -34.0848      2.00000

     14     -34.0145      2.00000

     15     -33.9988      2.00000

     16     -33.9316      2.00000

     17     -33.9234      2.00000

     18     -33.9116      2.00000

     19     -33.9067      2.00000

     20     -33.8818      2.00000

     21     -33.8464      2.00000

     22     -33.8148      2.00000

     23     -33.7724      2.00000

     24     -33.7673      2.00000

     25     -33.7633      2.00000

     26     -33.7505      2.00000

     27     -33.7287      2.00000

     28     -33.7234      2.00000

     29     -33.6866      2.00000

     30     -33.6748      2.00000

     31     -33.6695      2.00000

     32     -33.6099      2.00000

     33     -33.6049      2.00000

     34     -33.5859      2.00000

     35     -33.5591      2.00000

     36     -33.5471      2.00000

     37     -33.5307      2.00000

     38     -33.4472      2.00000

     39     -33.4376      2.00000

     40     -33.4317      2.00000

     41     -33.4228      2.00000

     42     -33.3944      2.00000

     43     -33.3814      2.00000

     44     -33.3718      2.00000

     45     -33.3634      2.00000

     46     -33.3027      2.00000

     47     -33.2859      2.00000

     48     -33.1632      2.00000

     49      -7.3358      2.00000

     50      -6.0587      2.00000

     51      -5.3214      2.00000

     52      -4.4963      2.00000

     53      -3.0579      2.00000

     54      -2.6496      2.00000

     55      -1.8439      2.00000

     56      -1.8342      2.00000

     57      -1.5993      2.00000

     58      -1.3972      2.00000

     59      -1.3356      2.00000

     60      -0.9903      2.00000

     61      -0.9371      2.00000

     62      -0.6643      2.00000

     63      -0.6572      2.00000

     64      -0.2292      2.00000

     65      -0.1280      2.00000

     66      -0.1023      2.00000

     67      -0.0823      2.00000

     68      -0.0674      2.00000

     69       0.1419      2.00000

     70       0.7107      2.00000

     71       0.8705      2.00000

     72       1.1484      2.00000

     73       1.2705      2.00000

     74       1.3873      2.00000

     75       1.4024      2.00000

     76       1.4632      2.00000

     77       1.7014      2.00000

     78       1.7452      2.00000

     79       1.8569      2.00000

     80       1.9494      2.00000

     81       2.1369      2.00000

     82       2.3550      2.00000

     83       2.5425      2.00000

     84       2.5926      2.00000

     85       2.6615      2.00000

     86       2.8279      2.00000

     87       2.9138      2.00000

     88       2.9585      2.00000

     89       3.0913      2.00000

     90       3.1428      2.00000

     91       3.2162      2.00000

     92       3.2506      2.00000

     93       3.3499      2.00000

     94       3.3935      2.00000

     95       3.4332      2.00000

     96       3.5373      2.00000

     97       3.5748      2.00000

     98       3.6059      2.00000

     99       3.6344      2.00000

    100       4.0906      2.00459

    101       4.2546      2.05349

    102       4.2860      2.06604

    103       4.4570      1.74940

    104       4.5513      1.06217

    105       4.6608      0.24844

    106       4.7061      0.05551

    107       4.7448     -0.03270

    108       4.9033     -0.03511

    109       5.0028     -0.00736

    110       5.0055     -0.00699

    111       5.0708     -0.00176

    112       5.1921     -0.00007

    113       5.2317     -0.00002

    114       5.3002     -0.00000

    115       5.3867     -0.00000

    116       5.5446     -0.00000

    117       5.7113     -0.00000

    118       5.7286     -0.00000

    119       5.8638     -0.00000

    120       6.0164     -0.00000

    121       6.1140     -0.00000

    122       6.1273     -0.00000

    123       6.1660     -0.00000

    124       6.3083     -0.00000

    125       6.3656     -0.00000

    126       6.4281     -0.00000

    127       6.4690     -0.00000

    128       6.4986     -0.00000



 k-point  61 :       0.0000    1.9048    0.0000

  band No.  band energies     occupation 

      1     -34.5483      2.00000

      2     -34.4708      2.00000

      3     -34.4038      2.00000

      4     -34.3360      2.00000

      5     -34.2881      2.00000

      6     -34.2403      2.00000

      7     -34.1763      2.00000

      8     -34.1672      2.00000

      9     -34.1380      2.00000

     10     -34.1231      2.00000

     11     -34.1133      2.00000

     12     -34.0969      2.00000

     13     -34.0716      2.00000

     14     -34.0154      2.00000

     15     -33.9887      2.00000

     16     -33.9301      2.00000

     17     -33.9234      2.00000

     18     -33.9226      2.00000

     19     -33.9157      2.00000

     20     -33.8654      2.00000

     21     -33.8361      2.00000

     22     -33.8165      2.00000

     23     -33.7893      2.00000

     24     -33.7732      2.00000

     25     -33.7525      2.00000

     26     -33.7503      2.00000

     27     -33.7368      2.00000

     28     -33.7269      2.00000

     29     -33.6883      2.00000

     30     -33.6817      2.00000

     31     -33.6638      2.00000

     32     -33.6177      2.00000

     33     -33.6050      2.00000

     34     -33.5854      2.00000

     35     -33.5736      2.00000

     36     -33.5511      2.00000

     37     -33.5223      2.00000

     38     -33.4564      2.00000

     39     -33.4373      2.00000

     40     -33.4278      2.00000

     41     -33.4229      2.00000

     42     -33.3928      2.00000

     43     -33.3812      2.00000

     44     -33.3720      2.00000

     45     -33.3590      2.00000

     46     -33.2984      2.00000

     47     -33.2841      2.00000

     48     -33.1586      2.00000

     49      -7.3487      2.00000

     50      -5.9709      2.00000

     51      -5.4129      2.00000

     52      -4.5168      2.00000

     53      -3.0775      2.00000

     54      -2.5396      2.00000

     55      -1.9259      2.00000

     56      -1.8593      2.00000

     57      -1.6189      2.00000

     58      -1.3905      2.00000

     59      -1.2463      2.00000

     60      -1.0007      2.00000

     61      -0.9445      2.00000

     62      -0.7276      2.00000

     63      -0.6562      2.00000

     64      -0.1765      2.00000

     65      -0.1064      2.00000

     66      -0.0864      2.00000

     67      -0.0660      2.00000

     68      -0.0355      2.00000

     69       0.1500      2.00000

     70       0.7734      2.00000

     71       0.9512      2.00000

     72       1.1279      2.00000

     73       1.2331      2.00000

     74       1.3827      2.00000

     75       1.3949      2.00000

     76       1.4523      2.00000

     77       1.6676      2.00000

     78       1.7258      2.00000

     79       1.8085      2.00000

     80       1.9363      2.00000

     81       2.1849      2.00000

     82       2.2811      2.00000

     83       2.4980      2.00000

     84       2.5693      2.00000

     85       2.6632      2.00000

     86       2.8209      2.00000

     87       2.8721      2.00000

     88       2.9544      2.00000

     89       3.0719      2.00000

     90       3.1254      2.00000

     91       3.2537      2.00000

     92       3.3494      2.00000

     93       3.3592      2.00000

     94       3.4365      2.00000

     95       3.4725      2.00000

     96       3.5091      2.00000

     97       3.5454      2.00000

     98       3.6285      2.00000

     99       3.6459      2.00000

    100       4.0695      2.00294

    101       4.2559      2.05407

    102       4.2794      2.06383

    103       4.3393      2.06498

    104       4.4997      1.47593

    105       4.6940      0.09697

    106       4.7081      0.04954

    107       4.8509     -0.05870

    108       4.8954     -0.03854

    109       4.9491     -0.01862

    110       4.9894     -0.00943

    111       5.0409     -0.00342

    112       5.1397     -0.00031

    113       5.2375     -0.00002

    114       5.3842     -0.00000

    115       5.4318     -0.00000

    116       5.5280     -0.00000

    117       5.6093     -0.00000

    118       5.6968     -0.00000

    119       5.9209     -0.00000

    120       6.0554     -0.00000

    121       6.0737     -0.00000

    122       6.1405     -0.00000

    123       6.1880     -0.00000

    124       6.2716     -0.00000

    125       6.3362     -0.00000

    126       6.3462     -0.00000

    127       6.4256     -0.00000

    128       6.4713     -0.00000



 k-point  62 :       0.0000    1.9365    0.0000

  band No.  band energies     occupation 

      1     -34.5516      2.00000

      2     -34.4718      2.00000

      3     -34.4067      2.00000

      4     -34.3282      2.00000

      5     -34.2959      2.00000

      6     -34.2425      2.00000

      7     -34.1776      2.00000

      8     -34.1678      2.00000

      9     -34.1364      2.00000

     10     -34.1264      2.00000

     11     -34.1042      2.00000

     12     -34.0928      2.00000

     13     -34.0530      2.00000

     14     -34.0164      2.00000

     15     -33.9780      2.00000

     16     -33.9547      2.00000

     17     -33.9337      2.00000

     18     -33.9226      2.00000

     19     -33.8997      2.00000

     20     -33.8496      2.00000

     21     -33.8258      2.00000

     22     -33.8176      2.00000

     23     -33.8092      2.00000

     24     -33.7833      2.00000

     25     -33.7541      2.00000

     26     -33.7506      2.00000

     27     -33.7309      2.00000

     28     -33.7256      2.00000

     29     -33.6895      2.00000

     30     -33.6862      2.00000

     31     -33.6591      2.00000

     32     -33.6289      2.00000

     33     -33.6049      2.00000

     34     -33.5855      2.00000

     35     -33.5828      2.00000

     36     -33.5542      2.00000

     37     -33.5138      2.00000

     38     -33.4652      2.00000

     39     -33.4371      2.00000

     40     -33.4258      2.00000

     41     -33.4221      2.00000

     42     -33.3917      2.00000

     43     -33.3811      2.00000

     44     -33.3721      2.00000

     45     -33.3558      2.00000

     46     -33.2953      2.00000

     47     -33.2828      2.00000

     48     -33.1554      2.00000

     49      -7.3579      2.00000

     50      -5.8821      2.00000

     51      -5.5046      2.00000

     52      -4.5316      2.00000

     53      -3.0915      2.00000

     54      -2.4307      2.00000

     55      -2.0188      2.00000

     56      -1.8732      2.00000

     57      -1.6329      2.00000

     58      -1.3898      2.00000

     59      -1.1534      2.00000

     60      -1.0082      2.00000

     61      -0.9503      2.00000

     62      -0.8021      2.00000

     63      -0.6521      2.00000

     64      -0.1338      2.00000

     65      -0.0921      2.00000

     66      -0.0907      2.00000

     67      -0.0533      2.00000

     68       0.0123      2.00000

     69       0.1452      2.00000

     70       0.8379      2.00000

     71       1.0394      2.00000

     72       1.1133      2.00000

     73       1.1740      2.00000

     74       1.3577      2.00000

     75       1.3896      2.00000

     76       1.4791      2.00000

     77       1.6286      2.00000

     78       1.7118      2.00000

     79       1.7268      2.00000

     80       1.9718      2.00000

     81       2.2109      2.00000

     82       2.2326      2.00000

     83       2.4513      2.00000

     84       2.5540      2.00000

     85       2.6753      2.00000

     86       2.8160      2.00000

     87       2.8314      2.00000

     88       2.9530      2.00000

     89       3.0586      2.00000

     90       3.1118      2.00000

     91       3.2555      2.00000

     92       3.3659      2.00000

     93       3.4378      2.00000

     94       3.4769      2.00000

     95       3.4885      2.00000

     96       3.5170      2.00000

     97       3.5428      2.00000

     98       3.6546      2.00000

     99       3.6588      2.00000

    100       4.0483      2.00183

    101       4.1421      2.01213

    102       4.2397      2.04659

    103       4.3872      2.00667

    104       4.4517      1.77706

    105       4.7030      0.06566

    106       4.7383     -0.02222

    107       4.8471     -0.06025

    108       4.8841     -0.04364

    109       4.9434     -0.02032

    110       4.9943     -0.00863

    111       5.0341     -0.00394

    112       5.1244     -0.00047

    113       5.2442     -0.00001

    114       5.3813     -0.00000

    115       5.4868     -0.00000

    116       5.5156     -0.00000

    117       5.5747     -0.00000

    118       5.6826     -0.00000

    119       5.9634     -0.00000

    120       6.0702     -0.00000

    121       6.0995     -0.00000

    122       6.1836     -0.00000

    123       6.2452     -0.00000

    124       6.2739     -0.00000

    125       6.3054     -0.00000

    126       6.4000     -0.00000

    127       6.4327     -0.00000

    128       6.4719     -0.00000



 k-point  63 :       0.0000    1.9683    0.0000

  band No.  band energies     occupation 

      1     -34.5536      2.00000

      2     -34.4723      2.00000

      3     -34.4084      2.00000

      4     -34.3205      2.00000

      5     -34.3036      2.00000

      6     -34.2439      2.00000

      7     -34.1784      2.00000

      8     -34.1681      2.00000

      9     -34.1351      2.00000

     10     -34.1289      2.00000

     11     -34.1004      2.00000

     12     -34.0900      2.00000

     13     -34.0303      2.00000

     14     -34.0171      2.00000

     15     -33.9798      2.00000

     16     -33.9671      2.00000

     17     -33.9448      2.00000

     18     -33.9222      2.00000

     19     -33.8826      2.00000

     20     -33.8443      2.00000

     21     -33.8192      2.00000

     22     -33.8183      2.00000

     23     -33.8156      2.00000

     24     -33.7934      2.00000

     25     -33.7683      2.00000

     26     -33.7506      2.00000

     27     -33.7248      2.00000

     28     -33.7143      2.00000

     29     -33.6902      2.00000

     30     -33.6894      2.00000

     31     -33.6560      2.00000

     32     -33.6408      2.00000

     33     -33.6049      2.00000

     34     -33.5874      2.00000

     35     -33.5859      2.00000

     36     -33.5561      2.00000

     37     -33.5067      2.00000

     38     -33.4725      2.00000

     39     -33.4370      2.00000

     40     -33.4253      2.00000

     41     -33.4209      2.00000

     42     -33.3910      2.00000

     43     -33.3811      2.00000

     44     -33.3722      2.00000

     45     -33.3538      2.00000

     46     -33.2934      2.00000

     47     -33.2820      2.00000

     48     -33.1534      2.00000

     49      -7.3634      2.00000

     50      -5.7943      2.00000

     51      -5.5943      2.00000

     52      -4.5404      2.00000

     53      -3.0999      2.00000

     54      -2.3238      2.00000

     55      -2.1164      2.00000

     56      -1.8816      2.00000

     57      -1.6413      2.00000

     58      -1.3898      2.00000

     59      -1.0635      2.00000

     60      -1.0123      2.00000

     61      -0.9551      2.00000

     62      -0.8800      2.00000

     63      -0.6498      2.00000

     64      -0.1078      2.00000

     65      -0.0891      2.00000

     66      -0.0824      2.00000

     67      -0.0513      2.00000

     68       0.0562      2.00000

     69       0.1286      2.00000

     70       0.8990      2.00000

     71       1.0900      2.00000

     72       1.1046      2.00000

     73       1.1506      2.00000

     74       1.3190      2.00000

     75       1.3864      2.00000

     76       1.5132      2.00000

     77       1.5847      2.00000

     78       1.6674      2.00000

     79       1.7034      2.00000

     80       2.0191      2.00000

     81       2.1456      2.00000

     82       2.2768      2.00000

     83       2.4071      2.00000

     84       2.5452      2.00000

     85       2.6925      2.00000

     86       2.7973      2.00000

     87       2.8130      2.00000

     88       2.9524      2.00000

     89       3.0508      2.00000

     90       3.1035      2.00000

     91       3.2564      2.00000

     92       3.3699      2.00000

     93       3.4650      2.00000

     94       3.4765      2.00000

     95       3.4954      2.00000

     96       3.4993      2.00000

     97       3.6574      2.00000

     98       3.6798      2.00000

     99       3.6812      2.00000

    100       3.9891      2.00043

    101       4.0309      2.00122

    102       4.2349      2.04440

    103       4.4173      1.92435

    104       4.4480      1.79595

    105       4.7197      0.01730

    106       4.7582     -0.04981

    107       4.7985     -0.07071

    108       4.8152     -0.06996

    109       4.9474     -0.01911

    110       5.0219     -0.00506

    111       5.1048     -0.00078

    112       5.1311     -0.00040

    113       5.2495     -0.00001

    114       5.3653     -0.00000

    115       5.3786     -0.00000

    116       5.5087     -0.00000

    117       5.6721     -0.00000

    118       5.7211     -0.00000

    119       5.9892     -0.00000

    120       6.0291     -0.00000

    121       6.0840     -0.00000

    122       6.1085     -0.00000

    123       6.1319     -0.00000

    124       6.2061     -0.00000

    125       6.2849     -0.00000

    126       6.3780     -0.00000

    127       6.4306     -0.00000

    128       6.4636     -0.00000



 k-point  64 :       0.0000    2.0000    0.0000

  band No.  band energies     occupation 

      1     -34.5543      2.00000

      2     -34.4725      2.00000

      3     -34.4090      2.00000

      4     -34.3149      2.00000

      5     -34.3093      2.00000

      6     -34.2444      2.00000

      7     -34.1787      2.00000

      8     -34.1682      2.00000

      9     -34.1343      2.00000

     10     -34.1300      2.00000

     11     -34.0993      2.00000

     12     -34.0891      2.00000

     13     -34.0173      2.00000

     14     -34.0093      2.00000

     15     -34.0014      2.00000

     16     -33.9566      2.00000

     17     -33.9553      2.00000

     18     -33.9221      2.00000

     19     -33.8711      2.00000

     20     -33.8521      2.00000

     21     -33.8186      2.00000

     22     -33.8164      2.00000

     23     -33.8081      2.00000

     24     -33.8009      2.00000

     25     -33.7755      2.00000

     26     -33.7506      2.00000

     27     -33.7245      2.00000

     28     -33.7060      2.00000

     29     -33.6916      2.00000

     30     -33.6904      2.00000

     31     -33.6550      2.00000

     32     -33.6465      2.00000

     33     -33.6048      2.00000

     34     -33.5887      2.00000

     35     -33.5861      2.00000

     36     -33.5568      2.00000

     37     -33.5034      2.00000

     38     -33.4758      2.00000

     39     -33.4370      2.00000

     40     -33.4252      2.00000

     41     -33.4204      2.00000

     42     -33.3907      2.00000

     43     -33.3810      2.00000

     44     -33.3722      2.00000

     45     -33.3532      2.00000

     46     -33.2927      2.00000

     47     -33.2817      2.00000

     48     -33.1527      2.00000

     49      -7.3653      2.00000

     50      -5.7322      2.00000

     51      -5.6570      2.00000

     52      -4.5434      2.00000

     53      -3.1028      2.00000

     54      -2.2285      2.00000

     55      -2.2085      2.00000

     56      -1.8843      2.00000

     57      -1.6441      2.00000

     58      -1.3898      2.00000

     59      -1.0174      2.00000

     60      -0.9804      2.00000

     61      -0.9785      2.00000

     62      -0.9335      2.00000

     63      -0.6491      2.00000

     64      -0.1035      2.00000

     65      -0.0808      2.00000

     66      -0.0796      2.00000

     67      -0.0534      2.00000

     68       0.0832      2.00000

     69       0.1108      2.00000

     70       0.9325      2.00000

     71       1.0639      2.00000

     72       1.1017      2.00000

     73       1.1982      2.00000

     74       1.2831      2.00000

     75       1.3853      2.00000

     76       1.5412      2.00000

     77       1.5519      2.00000

     78       1.6462      2.00000

     79       1.7007      2.00000

     80       2.0579      2.00000

     81       2.1011      2.00000

     82       2.3014      2.00000

     83       2.3825      2.00000

     84       2.5423      2.00000

     85       2.7026      2.00000

     86       2.7816      2.00000

     87       2.8120      2.00000

     88       2.9522      2.00000

     89       3.0482      2.00000

     90       3.1007      2.00000

     91       3.2567      2.00000

     92       3.3711      2.00000

     93       3.4727      2.00000

     94       3.4729      2.00000

     95       3.4932      2.00000

     96       3.4999      2.00000

     97       3.6607      2.00000

     98       3.6896      2.00000

     99       3.8011      2.00000

    100       3.8625      2.00001

    101       4.0240      2.00103

    102       4.2348      2.04434

    103       4.4045      1.96432

    104       4.4775      1.62816

    105       4.7384     -0.02232

    106       4.7577     -0.04920

    107       4.7760     -0.06388

    108       4.7800     -0.06589

    109       4.9492     -0.01858

    110       5.0227     -0.00497

    111       5.1154     -0.00059

    112       5.2250     -0.00003

    113       5.2515     -0.00001

    114       5.2577     -0.00001

    115       5.3775     -0.00000

    116       5.5066     -0.00000

    117       5.6683     -0.00000

    118       5.8703     -0.00000

    119       5.8759     -0.00000

    120       5.9972     -0.00000

    121       6.0812     -0.00000

    122       6.1396     -0.00000

    123       6.2329     -0.00000

    124       6.2940     -0.00000

    125       6.3284     -0.00000

    126       6.3560     -0.00000

    127       6.4405     -0.00000

    128       6.4675     -0.00000





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





 soft charge-density along one line, spin component           1

         0         1         2         3         4         5         6         7         8         9

 total charge-density along one line

 

 pseudopotential strength for first ion, spin component:           1

-27.965  -0.000   0.000   8.935   0.000  -0.000  -0.000   0.021

 -0.000 -28.081   0.000   0.000   9.006  -0.000   0.000   0.000

  0.000   0.000 -27.963  -0.000  -0.000   8.933   0.000   0.000

  8.935   0.000  -0.000   5.489  -0.000   0.000   0.000  -0.005

  0.000   9.006  -0.000  -0.000   5.469   0.000   0.000  -0.000

 -0.000  -0.000   8.933   0.000   0.000   5.488  -0.000   0.000

 -0.000   0.000   0.000   0.000   0.000  -0.000  -3.090   0.000

  0.021   0.000   0.000  -0.005  -0.000   0.000   0.000  -3.134

 -0.000   0.016  -0.000   0.000  -0.007   0.000  -0.000  -0.000

  0.000  -0.000   0.009   0.000   0.000   0.001  -0.000   0.000

 -0.000  -0.006  -0.000   0.000   0.003   0.000   0.000   0.000

 -0.000   0.000   0.000   0.000   0.000  -0.000  -3.469   0.000

  0.025   0.000   0.000  -0.005  -0.000   0.000   0.000  -3.521

 -0.000   0.018  -0.000   0.000  -0.008   0.000  -0.000  -0.000

  0.000  -0.000   0.011   0.000   0.000   0.002  -0.000   0.000

 -0.000  -0.007  -0.000   0.000   0.004   0.000   0.000   0.000

 -0.000   0.013   0.000   0.000  -0.012  -0.000  -0.000   0.000

 -0.000   0.027   0.000  -0.000  -0.023  -0.000  -0.000   0.000

 total augmentation occupancy for first ion, spin component:           1

  2.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   2.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   2.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000

  0.000   0.000   0.000   0.000   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       tot

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

  1        0.507   6.149   3.295   9.951

  2        0.509   6.148   3.287   9.944

  3        0.474   6.208   3.645  10.327

  4        0.472   6.213   3.585  10.271

  5        0.466   6.222   3.525  10.213

  6        0.461   6.219   3.540  10.220

  7        0.455   6.224   3.792  10.471

  8        0.453   6.196   3.655  10.304

  9        0.508   6.148   3.267   9.923

 10        0.509   6.148   3.287   9.945

 11        0.470   6.216   3.573  10.259

 12        0.472   6.214   3.586  10.271

 13        0.462   6.221   3.492  10.174

 14        0.461   6.219   3.540  10.220

 15        0.462   6.207   3.403  10.073

 16        0.453   6.196   3.654  10.303

 17        1.118   0.869   0.044   2.031

 18        1.118   0.920   0.035   2.072

 19        1.118   0.920   0.035   2.072

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

tot       10.946 101.857  56.242 169.045

 

    CHARGE:  cpu time    3.06: real time    3.06

    FORLOC:  cpu time    0.01: real time    0.01

    FORNL :  cpu time   12.29: real time   12.31

    STRESS:  cpu time   37.05: real time   37.13

    FORCOR:  cpu time    0.27: real time    0.27

    FORHAR:  cpu time    0.08: real time    0.08



  FORCE on cell =-STRESS in cart. coord.  units (eV):

  Direction    XX          YY          ZZ          XY          YZ          ZX

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

  Alpha Z   849.80588   849.80588   849.80588

  Ewald   53218.48081 53325.37603-66179.42283     0.11023    -0.16301     1.80655

  Hartree 59272.70270 59268.18096-57822.45772     0.02390    -0.04775     0.67981

  E(xc)    -899.30993  -899.42042  -902.47795    -0.00198     0.00017     0.00057

  Local  ************************120447.63566    -0.14578     0.18834    -2.52590

  n-local   365.91121   287.06786   292.09244     0.02116    -0.03326     0.11806

  augment   970.04611   986.00644   979.63878    -0.00307     0.00424    -0.02439

  Kinetic  2405.66730  2361.86277  2353.13954    -0.00513    -0.01425    -0.01053

  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

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

  Total      29.04220    20.83537    17.95380    -0.00067    -0.06553     0.04419

  in kB      81.17186    58.23408    50.18021    -0.00187    -0.18316     0.12350

  external pressure =       63.20 kB  Pullay stress =        0.00 kB





 VOLUME and BASIS-vectors are now :

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

  energy-cutoff  :      340.00

  volume of cell :      573.24

      direct lattice vectors                 reciprocal lattice vectors

     3.183316201  0.000000000  0.000000000     0.314137816  0.000000000  0.000000000

     0.000000000  9.003777890  0.000000000     0.000000000  0.111064490  0.000000000

     0.000000000  0.000000000 20.000000000     0.000000000  0.000000000  0.050000000



  length of vectors

     3.183316201  9.003777890 20.000000000     0.314137816  0.111064490  0.050000000





 FORCES acting on ions

    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction

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

   0.138E+00 -.259E-01 0.308E+04   -.131E+00 -.281E-03 -.307E+04   -.287E-02 0.236E-02 0.113E+01   -.617E-02 0.257E-01 -.101E+02

   0.118E+00 -.496E+01 0.308E+04   -.109E+00 0.220E+01 -.307E+04   -.249E-02 0.609E-01 0.887E+00   -.713E-02 0.278E+01 -.852E+01

   -.786E-01 0.681E-01 0.119E+04   0.694E-01 -.101E+00 -.119E+04   0.137E-02 -.125E-02 0.325E+00   0.399E-02 0.342E-01 -.298E+01

   -.238E-01 -.931E+01 0.117E+04   0.223E-01 0.485E+01 -.117E+04   0.792E-05 0.727E-01 0.118E+00   0.392E-03 0.450E+01 -.167E+01

   0.841E-02 -.339E-01 -.703E+03   -.974E-02 0.159E-01 0.683E+03   -.209E-02 -.421E-02 -.809E+00   -.205E-03 0.186E-01 0.208E+02

   -.322E-01 -.173E+02 -.737E+03   0.431E-01 0.707E+01 0.712E+03   -.252E-02 -.264E+00 -.123E+01   -.327E-02 0.100E+02 0.266E+02

   -.186E+00 0.153E+00 -.260E+04   0.167E+00 -.190E+00 0.252E+04   0.364E-02 -.956E-03 0.156E+00   0.109E-01 0.378E-01 0.795E+02

   0.458E-01 -.101E+02 -.268E+04   -.390E-01 -.677E+01 0.260E+04   0.139E-02 0.418E+00 0.158E+01   -.343E-02 0.159E+02 0.784E+02

   0.147E+00 0.667E-01 0.308E+04   -.142E+00 -.369E-01 -.307E+04   -.380E-02 0.146E-02 0.727E+00   -.456E-02 -.291E-01 -.779E+01

   0.143E+00 0.486E+01 0.308E+04   -.133E+00 -.211E+01 -.307E+04   -.314E-02 -.544E-01 0.887E+00   -.721E-02 -.277E+01 -.855E+01

   -.111E+00 0.170E+00 0.117E+04   0.104E+00 -.121E+00 -.117E+04   0.193E-02 0.151E-04 0.232E+00   0.277E-02 -.460E-01 0.760E+00

   -.119E+00 0.910E+01 0.117E+04   0.118E+00 -.466E+01 -.117E+04   0.349E-02 -.738E-01 0.115E+00   -.948E-03 -.449E+01 -.164E+01

   -.961E-01 0.119E+00 -.736E+03   0.830E-01 -.109E+00 0.704E+03   -.518E-04 0.985E-03 -.418E+00   0.974E-02 -.108E-01 0.331E+02

   0.663E-01 0.173E+02 -.738E+03   -.491E-01 -.701E+01 0.712E+03   -.563E-02 0.262E+00 -.123E+01   -.884E-02 -.101E+02 0.267E+02

   -.902E-02 0.153E+00 -.262E+04   0.161E-02 -.944E-01 0.255E+04   0.286E-02 0.213E-02 0.125E+01   0.341E-02 -.489E-01 0.723E+02

   -.253E-01 0.979E+01 -.268E+04   0.243E-01 0.710E+01 0.260E+04   0.218E-02 -.417E+00 0.158E+01   0.275E-02 -.159E+02 0.783E+02

   -.338E-01 0.209E-01 -.132E+04   0.313E-01 -.654E-01 0.131E+04   0.314E-02 0.471E-02 -.378E+01   0.224E-03 0.306E-01 0.153E+02

   0.152E-01 0.357E+01 -.129E+04   -.135E-01 -.316E+01 0.129E+04   -.201E-02 -.100E+01 -.437E+01   -.595E-04 0.816E+00 0.844E+01

   0.546E-01 -.355E+01 -.129E+04   -.376E-01 0.319E+01 0.129E+04   -.144E-01 0.986E+00 -.437E+01   -.221E-02 -.842E+00 0.843E+01

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

   0.224E-01 0.431E-02 -.400E+03   0.285E-12 0.455E-12 0.682E-12   -.190E-01 -.585E-02 -.724E+01   -.981E-02 -.164E-03 0.407E+03

 

 

 POSITION                                       TOTAL-FORCE (eV/Angst)

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

      0.00000      0.00000      0.00000        -0.001490      0.001879      2.322403

      1.59166      2.25094      0.00000        -0.000064      0.078935      1.982688

      1.58946      0.00167      2.16503        -0.003485     -0.000108     -0.408712

      3.18128      2.25496      2.18427        -0.000815      0.120196     -0.228636

      3.17993      0.00197      4.41180        -0.003291     -0.003454      0.593596

      1.58834      2.24761      4.43099         0.005380     -0.464159     -0.257549

      1.58696      0.00227      6.58442        -0.004266     -0.000218     -4.806740

      3.17961      2.26434      6.72123         0.005148     -0.550981     -3.277230

      0.00000      4.50189      0.00000        -0.002759      0.002166      1.896763

      1.59166      6.75283      0.00000        -0.000283     -0.074671      1.985753

      1.58927      4.50350      2.17604        -0.002266      0.002837     -0.500397

      3.18097      6.75165      2.18408         0.002755     -0.123037     -0.231651

      3.17976      4.50451      4.44575        -0.003030      0.000200      0.428747

      1.58868      6.76082      4.43116         0.003032      0.463704     -0.261939

      1.58783      4.50423      6.62833        -0.000805      0.011655     -2.411371

      3.17969      6.74344      6.72239         0.004246      0.538834     -3.278964

      3.17734      0.00435      8.89573         0.001297     -0.009082      1.734469

      1.58818      2.98566      9.05894        -0.000036      0.226523      2.363165

      1.59133      6.02402      9.06054         0.000733     -0.221218      2.355605

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

    total drift:                               -0.006409     -0.001706     -0.174939





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







  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)

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

  free  energy   TOTEN  =      -214.570290 eV



  energy  without entropy=     -214.613081  energy(sigma->0) =     -214.584554

 





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





    POTLOK:  cpu time    0.32: real time    0.32





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





     LOOP+:  cpu time 1500.92: real time 1504.22

    4ORBIT:  cpu time    0.00: real time    0.00

 





 total charge     

 

# of ion     s       p       d       tot

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

  1        0.507   6.149   3.295   9.951

  2        0.509   6.148   3.287   9.944

  3        0.474   6.208   3.645  10.327

  4        0.472   6.213   3.585  10.271

  5        0.466   6.222   3.525  10.213

  6        0.461   6.219   3.540  10.220

  7        0.455   6.224   3.792  10.471

  8        0.453   6.196   3.655  10.304

  9        0.508   6.148   3.267   9.923

 10        0.509   6.148   3.287   9.945

 11        0.470   6.216   3.573  10.259

 12        0.472   6.214   3.586  10.271

 13        0.462   6.221   3.492  10.174

 14        0.461   6.219   3.540  10.220

 15        0.462   6.207   3.403  10.073

 16        0.453   6.196   3.654  10.303

 17        1.118   0.869   0.044   2.031

 18        1.118   0.920   0.035   2.072

 19        1.118   0.920   0.035   2.072

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

tot       10.946 101.857  56.242 169.045

 



 total amount of memory used by VASP on root node    62593. kBytes

========================================================================



   base      :      30000. kBytes

   nonlr-proj:       4015. kBytes

   fftplans  :       1637. kBytes

   grid      :       2500. kBytes

   one-center:         62. kBytes

   wavefun   :      24379. kBytes

 

  

  

 General timing and accounting informations for this job:

 ========================================================

  

                  Total CPU time used (sec):     1551.161

                            User time (sec):      974.330

                          System time (sec):      576.831

                         Elapsed time (sec):     1554.859

  

                   Maximum memory used (kb):      114460.

                   Average memory used (kb):           0.

  

                          Minor page faults:        53691

                          Major page faults:            0

                 Voluntary context switches:         1360

